Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_NaCaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11460094 _cell_length_b 6.11460094 _cell_length_c 6.11460094 _cell_angle_alpha 140.64521651 _cell_angle_beta 140.64521651 _cell_angle_gamma 56.87492732 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaIn _chemical_formula_sum 'Na1 Ca1 In1' _cell_volume 91.17323365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 -0.00000000 -0.00000000 10.64381394 1 In In1 1 0.00000000 -0.00000000 3.57237731 1 Na Na2 1 -0.00000000 -0.00000000 7.29099771 1 [/CIF]
CaInNa
I4mm
107
tetragonal
4mm
3,239.835393
false
[CIF] data_MnAgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20968265 _cell_length_b 4.20968265 _cell_length_c 4.20968265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAgMo _chemical_formula_sum 'Mn1 Ag1 Mo1' _cell_volume 52.75128887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.48834757 1.48834757 1.48834757 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 2.97669515 2.97669515 2.97669515 1 [/CIF]
AgMnMo
F-43m
216
cubic
-43m
8,145.610621
false
[CIF] data_ZrInPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65638502 _cell_length_b 4.65638502 _cell_length_c 4.65638502 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInPd _chemical_formula_sum 'Zr1 In1 Pd1' _cell_volume 71.38905794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 4.93884213 4.93884213 4.93884213 1 Pd Pd1 1 1.64628071 1.64628071 1.64628071 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InPdZr
F-43m
216
cubic
-43m
7,267.995583
false
[CIF] data_KYSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15372059 _cell_length_b 5.15372059 _cell_length_c 5.15372059 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYSi _chemical_formula_sum 'K1 Y1 Si1' _cell_volume 96.79381593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.82211539 1.82211539 1.82211539 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.46634617 5.46634617 5.46634617 1 [/CIF]
KSiY
F-43m
216
cubic
-43m
2,677.784311
false
[CIF] data_CaTaZnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65287316 _cell_length_b 4.65287316 _cell_length_c 4.65287316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaZnPt _chemical_formula_sum 'Ca1 Ta1 Zn1 Pt1' _cell_volume 71.22765419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 3.29007816 3.29007816 3.29007816 1 Ta Ta2 1 1.64503908 1.64503908 1.64503908 1 Zn Zn3 1 4.93511724 4.93511724 4.93511724 1 [/CIF]
CaPtTaZn
F-43m
216
cubic
-43m
11,225.032819
false
[CIF] data_ZrRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28936763 _cell_length_b 5.28936763 _cell_length_c 5.28936763 _cell_angle_alpha 147.92061018 _cell_angle_beta 64.52221520 _cell_angle_gamma 125.65111230 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRh3 _chemical_formula_sum 'Zr1 Rh3' _cell_volume 63.16359815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 1.46146951 -2.26617794 2.40269042 1 Rh Rh1 1 1.46146951 2.26617794 2.40269042 1 Rh Rh2 1 -0.00000000 4.47281810 1.62001953 1 Zr Zr3 1 0.00000000 0.00000000 1.62681701 1 [/CIF]
Rh3Zr
Imm2
44
orthorhombic
mm2
10,514.233577
false
[CIF] data_BaLi2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83728580 _cell_length_b 3.83728580 _cell_length_c 7.71783428 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi2Hg _chemical_formula_sum 'Ba1 Li2 Hg1' _cell_volume 113.64327533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 3.85891714 1 Li Li2 1 1.91864290 1.91864290 5.15786284 1 Li Li3 1 1.91864290 1.91864290 2.55997144 1 [/CIF]
BaHgLi2
P4/mmm
123
tetragonal
4/mmm
5,140.435995
false
[CIF] data_BeAgSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18852444 _cell_length_b 5.18852444 _cell_length_c 3.17456520 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.54276553 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAgSb2 _chemical_formula_sum 'Be1 Ag1 Sb2' _cell_volume 84.51361398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.38539278 -0.00000000 0.00000000 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.69269639 1.96595407 1.58728260 1 Sb Sb3 1 1.69269639 -1.96595407 1.58728260 1 [/CIF]
AgBeSb2
Cmmm
65
orthorhombic
mmm
7,081.213141
false
[CIF] data_MnNi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46807372 _cell_length_b 4.46807372 _cell_length_c 4.46807372 _cell_angle_alpha 132.74877670 _cell_angle_beta 132.74877670 _cell_angle_gamma 69.04895557 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNi2Ir _chemical_formula_sum 'Mn1 Ni2 Ir1' _cell_volume 47.21204936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 -0.00000000 0.00000000 3.68117505 1 Mn Mn1 1 0.00000000 0.00000000 -0.00000000 1 Ni Ni2 1 1.79061903 0.00000000 1.84058752 1 Ni Ni3 1 -0.00000000 1.79061903 1.84058752 1 [/CIF]
IrMnNi2
I4/mmm
139
tetragonal
4/mmm
12,821.641576
false
[CIF] data_ZrNb4Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42564416 _cell_length_b 5.42564416 _cell_length_c 5.42564416 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNb4Tc _chemical_formula_sum 'Zr1 Nb4 Tc1' _cell_volume 112.93769625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 4.79406088 4.79406088 2.87895868 1 Nb Nb1 1 4.79406088 2.87895868 4.79406088 1 Nb Nb2 1 2.87895868 4.79406088 4.79406088 1 Nb Nb3 1 2.87895868 2.87895868 2.87895868 1 Tc Tc4 1 5.75476467 5.75476467 5.75476467 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb4TcZr
F-43m
216
cubic
-43m
8,259.574526
false
[CIF] data_MgTi4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22176561 _cell_length_b 5.22176561 _cell_length_c 5.22176561 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi4Pt _chemical_formula_sum 'Mg1 Ti4 Pt1' _cell_volume 100.67858947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 1.84617294 1.84617294 1.84617294 1 Ti Ti2 1 2.77348670 2.77348670 4.61120504 1 Ti Ti3 1 2.77348670 4.61120504 2.77348670 1 Ti Ti4 1 4.61120504 2.77348670 2.77348670 1 Ti Ti5 1 4.61120504 4.61120504 4.61120504 1 [/CIF]
MgPtTi4
F-43m
216
cubic
-43m
6,776.456672
false
[CIF] data_YSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43906162 _cell_length_b 5.43906162 _cell_length_c 5.43906162 _cell_angle_alpha 144.17121322 _cell_angle_beta 124.88322583 _cell_angle_gamma 67.50048838 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSc2 _chemical_formula_sum 'Y1 Sc2' _cell_volume 76.15737799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 3.02442760 1 Sc Sc1 1 -0.00000000 -0.00000000 6.02037556 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc4Y2
Immm
71
orthorhombic
mmm
3,898.949009
false
[CIF] data_ZrNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77415342 _cell_length_b 2.77415342 _cell_length_c 8.20534612 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi3 _chemical_formula_sum 'Zr1 Ni3' _cell_volume 54.68755235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 1.38707671 0.80082911 6.33990515 1 Ni Ni1 1 1.38707671 0.80082911 1.86544097 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 4.10267306 1 [/CIF]
Ni3Zr
P-6m2
187
hexagonal
-6m2
8,116.455155
false
[CIF] data_La2ScIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30651425 _cell_length_b 7.30651425 _cell_length_c 7.30651425 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ScIn _chemical_formula_sum 'La2 Sc1 In1' _cell_volume 275.81361999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 7.74972866 7.74972866 7.74972866 1 La La1 1 2.58324289 2.58324289 2.58324289 1 La La2 1 5.16648577 5.16648577 5.16648577 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InLa2Sc
F-43m
216
cubic
-43m
2,634.484627
false
[CIF] data_La2RuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20613548 _cell_length_b 3.20613548 _cell_length_c 9.38766569 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2RuW _chemical_formula_sum 'La2 Ru1 W1' _cell_volume 96.49867620 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 8.80857599 1 La La1 1 1.60306774 1.60306774 2.95904958 1 Ru Ru2 1 0.00000000 0.00000000 5.18858780 1 W W3 1 1.60306774 1.60306774 6.51295086 1 [/CIF]
La2RuW
P4mm
99
tetragonal
4mm
9,683.242727
false
[CIF] data_TlHPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12260981 _cell_length_b 5.12260981 _cell_length_c 5.12260981 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlHPt3 _chemical_formula_sum 'Tl1 H1 Pt3' _cell_volume 134.42307645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy H H0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 2.56130491 2.56130491 2.56130491 1 Pt Pt2 1 2.56130491 0.00000000 2.56130491 1 Pt Pt3 1 2.56130491 2.56130491 0.00000000 1 Pt Pt4 1 0.00000000 2.56130491 2.56130491 1 [/CIF]
HPt3Tl
Pm-3m
221
cubic
m-3m
9,766.879486
false
[CIF] data_EuGd2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13801262 _cell_length_b 5.13801262 _cell_length_c 5.13801262 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuGd2Fe _chemical_formula_sum 'Eu1 Gd2 Fe1' _cell_volume 95.91146014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 3.63312357 3.63312357 3.63312357 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Gd Gd2 1 1.81656178 1.81656178 1.81656178 1 Gd Gd3 1 5.44968535 5.44968535 5.44968535 1 [/CIF]
EuFeGd2
Fm-3m
225
cubic
m-3m
9,042.866182
false
[CIF] data_ZnAgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81651166 _cell_length_b 3.09788414 _cell_length_c 4.35443008 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.06670188 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAgB2 _chemical_formula_sum 'Zn1 Ag1 B2' _cell_volume 49.47199547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.72250791 1.54894207 0.90603890 1 B B1 1 -0.48288102 0.00000000 3.91770441 1 B B2 1 -0.47010982 1.54894207 3.42921436 1 Zn Zn3 1 0.94246118 0.00000000 2.20790917 1 [/CIF]
AgB2Zn
Pm
6
monoclinic
m
6,540.863714
false
[CIF] data_BaSc2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09483563 _cell_length_b 5.09483563 _cell_length_c 5.09483563 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSc2B _chemical_formula_sum 'Ba1 Sc2 B1' _cell_volume 93.51376293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 1.80129641 1.80129641 1.80129641 1 Sc Sc2 1 3.60259282 3.60259282 3.60259282 1 Sc Sc3 1 5.40388923 5.40388923 5.40388923 1 [/CIF]
BBaSc2
F-43m
216
cubic
-43m
4,227.089363
false
[CIF] data_HfTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58091815 _cell_length_b 5.58091815 _cell_length_c 5.58091815 _cell_angle_alpha 52.61975794 _cell_angle_beta 52.61975794 _cell_angle_gamma 52.61975794 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl _chemical_formula_sum 'Hf2 Tl2' _cell_volume 101.62620841 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 -0.00000000 9.34808632 1 Hf Hf1 1 0.00000000 -0.00000000 5.03576111 1 Tl Tl2 1 -0.00000000 -0.00000000 12.75483844 1 Tl Tl3 1 0.00000000 0.00000000 1.62900898 1 [/CIF]
Hf2Tl2
R-3m
166
trigonal
-3m
12,512.049444
false
[CIF] data_Hf4Bi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53433012 _cell_length_b 9.53433012 _cell_length_c 6.62250395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Bi5 _chemical_formula_sum 'Hf8 Bi10' _cell_volume 521.35462150 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.44492890 5.96679189 4.96687796 1 Bi Bi1 1 2.64447231 0.00000000 4.96687796 1 Bi Bi2 1 -1.32223616 2.29018020 4.96687796 1 Bi Bi3 1 1.32223616 2.29018020 1.65562599 1 Bi Bi4 1 6.88985781 0.00000000 1.65562599 1 Bi Bi5 1 -3.44492890 5.96679189 1.65562599 1 Bi Bi6 1 -0.00000000 5.50464806 3.31125197 1 Bi Bi7 1 4.76716506 2.75232403 0.00000000 1 Bi Bi8 1 4.76716506 2.75232403 3.31125197 1 Bi Bi9 1 -0.00000000 5.50464806 0.00000000 1 Hf Hf10 1 0.00000000 0.00000000 3.31125197 1 Hf Hf11 1 0.00000000 0.00000000 0.00000000 1 Hf Hf12 1 1.79708660 3.11264530 4.96687796 1 Hf Hf13 1 5.94015691 0.00000000 4.96687796 1 Hf Hf14 1 -2.97007846 5.14432679 4.96687796 1 Hf Hf15 1 2.97007846 5.14432679 1.65562599 1 Hf Hf16 1 3.59417321 0.00000000 1.65562599 1 Hf Hf17 1 -1.79708660 3.11264530 1.65562599 1 [/CIF]
Bi10Hf8
P6_3/mcm
193
hexagonal
6/mmm
11,204.116904
false
[CIF] data_Mg3Mn3(AsO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71378800 _cell_length_b 5.26785800 _cell_length_c 16.45687690 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.43766869 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Mn3(AsO4)4 _chemical_formula_sum 'Mg6 Mn6 As8 O32' _cell_volume 698.23114257 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 4.63259639 2.90594012 3.19980412 1 Mg Mg1 1 0.94057661 0.27201112 4.40570288 1 Mg Mg2 1 -2.20003839 2.36191788 12.01120988 1 Mg Mg3 1 1.49198139 4.99584688 10.80531112 1 Mg Mg4 1 -3.14061500 2.63392900 7.60550700 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 Mn Mn6 1 3.08325128 2.61758284 9.51351575 1 Mn Mn7 1 -0.65069328 2.65027516 5.69749825 1 Mn Mn8 1 -3.79130828 5.25151184 13.30300525 1 Mn Mn9 1 6.22386628 0.01634616 1.90800875 1 Mn Mn10 1 1.21627900 0.00000000 7.60550700 1 Mn Mn11 1 4.35689400 2.63392900 0.00000000 1 As As12 1 6.21953699 5.17471700 5.36659785 1 As As13 1 2.61385814 2.65487400 5.97097707 1 As As14 1 2.95931486 0.02094500 1.63452993 1 As As15 1 -0.52675686 5.24691300 13.57648407 1 As As16 1 -3.78697899 0.09314100 9.84441615 1 As As17 1 -0.18130014 2.61298400 9.24003693 1 As As18 1 3.07892199 2.72707000 12.97210485 1 As As19 1 -0.64636399 2.54078800 2.23890915 1 O O20 1 0.00912729 2.05726185 3.77430890 1 O O21 1 2.08442676 5.02681135 0.18630450 1 O O22 1 3.39322623 2.21844777 4.55105933 1 O O23 1 6.35304466 2.11311168 2.28635230 1 O O24 1 -0.96066823 3.04941023 10.65995467 1 O O25 1 -3.13148771 0.57666715 11.37981590 1 O O26 1 2.17994677 4.85237677 3.05444767 1 O O27 1 -1.27500407 3.68968149 13.53979510 1 O O28 1 2.25086812 3.61955050 14.12289411 1 O O29 1 2.42343071 3.21059615 11.43670510 1 O O30 1 3.21242966 0.52081732 9.89185930 1 O O31 1 3.70756207 1.57817651 1.67121890 1 O O32 1 1.22825197 1.55043597 6.11307836 1 O O33 1 0.18168988 1.64830750 1.08811989 1 O O34 1 -3.75578165 3.65548783 9.57095254 1 O O35 1 3.04772465 1.02155883 13.24556846 1 O O36 1 4.34492103 4.18436497 1.49242864 1 O O37 1 0.25261123 0.41548123 12.15656633 1 O O38 1 -2.95892512 0.98562150 8.69362689 1 O O39 1 0.56694707 1.05575249 9.27672590 1 O O40 1 -0.61516665 4.24629917 1.96544554 1 O O41 1 6.18833965 1.61237017 5.64006146 1 O O42 1 0.34813124 0.24104665 15.02470950 1 O O43 1 3.48874624 2.39288235 7.41920250 1 O O44 1 1.20430603 3.71742203 9.09793564 1 O O45 1 5.56404571 4.69119085 3.83119810 1 O O46 1 -3.92048666 3.15474632 12.92466170 1 O O47 1 5.39148312 4.28223650 6.51738711 1 O O48 1 -1.05618824 2.87497565 7.79181150 1 O O49 1 1.86561093 4.21210551 5.93428810 1 O O50 1 -1.91236303 1.08349303 13.71858536 1 O O51 1 -0.77987166 4.74704068 5.31915470 1 [/CIF]
As8Mg6Mn6O32
P2_1/c
14
monoclinic
2/m
3,773.769087
true
[CIF] data_KGeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57596658 _cell_length_b 4.57596658 _cell_length_c 4.57596658 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGeIr2 _chemical_formula_sum 'K1 Ge1 Ir2' _cell_volume 67.75378075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 3.23569700 3.23569700 3.23569700 1 Ir Ir1 1 1.61784850 1.61784850 1.61784850 1 Ir Ir2 1 4.85354550 4.85354550 4.85354550 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeIr2K
Fm-3m
225
cubic
m-3m
12,160.406088
false
[CIF] data_SnBP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27666162 _cell_length_b 4.27666162 _cell_length_c 4.27666162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBP3 _chemical_formula_sum 'Sn1 B1 P3' _cell_volume 78.21943372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 0.00000000 0.00000000 2.13833081 1 P P2 1 2.13833081 0.00000000 0.00000000 1 P P3 1 0.00000000 2.13833081 0.00000000 1 Sn Sn4 1 2.13833081 2.13833081 2.13833081 1 [/CIF]
BP3Sn
Pm-3m
221
cubic
m-3m
4,722.280492
false
[CIF] data_K3CrC5N6O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.84831500 _cell_length_b 10.57268900 _cell_length_c 8.66731300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3CrC5N6O _chemical_formula_sum 'K12 Cr4 C20 N24 O4' _cell_volume 1269.01533867 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 4.34170843 1 K K1 1 10.38057229 2.44074755 4.33179303 1 K K2 1 3.46774271 7.72709205 8.66544953 1 K K3 1 6.92415750 0.00000000 2.15992040 1 K K4 1 10.39782729 7.68686296 6.49941000 1 K K5 1 3.46774271 8.13194145 4.33179303 1 K K6 1 10.38057229 2.84559695 8.66544953 1 K K7 1 3.45048771 2.40051846 2.16575350 1 K K8 1 3.45048771 2.88582604 6.49941000 1 K K9 1 0.00000000 5.28634450 0.00805193 1 K K10 1 6.92415750 5.28634450 6.49357690 1 K K11 1 10.39782729 8.17217054 2.16575350 1 Cr Cr12 1 6.92415750 0.00000000 6.50246956 1 Cr Cr13 1 0.00000000 0.00000000 8.66469547 1 Cr Cr14 1 6.92415750 5.28634450 2.16881306 1 Cr Cr15 1 0.00000000 5.28634450 4.33103897 1 C C16 1 8.29230178 9.95605806 7.94438976 1 C C17 1 1.35908748 5.89607147 5.78289190 1 C C18 1 8.29230178 5.90297544 3.61073326 1 C C19 1 1.36110934 5.89831288 2.88295632 1 C C20 1 12.48720566 0.61196838 7.21661282 1 C C21 1 12.48922752 0.60972697 1.44923540 1 C C22 1 12.48720566 4.67437612 2.88295632 1 C C23 1 5.55555623 4.67044307 0.72235120 1 C C24 1 6.02573422 8.70352217 6.50224421 1 C C25 1 1.35908748 9.96296203 1.44923540 1 C C26 1 5.55601322 4.66971356 3.61073326 1 C C27 1 5.55601322 0.61663094 7.94438976 1 C C28 1 12.48922752 4.67661753 5.78289190 1 C C29 1 7.82258078 1.86916683 6.50224421 1 C C30 1 8.29275877 9.95678757 5.05600770 1 C C31 1 7.82258078 3.41717767 2.16858771 1 C C32 1 5.55555623 0.61590143 5.05600770 1 C C33 1 6.02573422 7.15551133 2.16858771 1 C C34 1 1.36110934 9.96072062 7.21661282 1 C C35 1 8.29275877 5.90224593 0.72235120 1 N N36 1 9.06322363 9.59481042 0.08320620 1 N N37 1 13.06941652 8.92190106 8.66518084 1 N N38 1 2.12621489 9.61950822 6.38988117 1 N N39 1 8.37078018 2.37975370 2.16913376 1 N N40 1 4.78509137 4.30846592 4.41686270 1 N N41 1 2.12621489 6.23952528 2.05622467 1 N N42 1 13.06941652 6.93713244 4.33152434 1 N N43 1 8.37078018 2.90659080 6.50279026 1 N N44 1 4.78509137 0.97787858 0.08320620 1 N N45 1 2.12325135 9.63459545 2.28217285 1 N N46 1 0.77889848 1.65078794 8.66518084 1 N N47 1 11.72506365 4.34825095 6.61582935 1 N N48 1 4.77964898 0.96668210 4.25058897 1 N N49 1 4.77964898 4.31966240 8.58424547 1 N N50 1 5.47753482 7.66609820 6.50279026 1 N N51 1 11.72506365 0.93809355 2.28217285 1 N N52 1 9.06322363 6.26422308 4.41686270 1 N N53 1 9.06866602 9.60600690 4.25058897 1 N N54 1 11.72210011 0.95318078 6.38988117 1 N N55 1 5.47753482 8.19293530 2.16913376 1 N N56 1 0.77889848 3.63555656 4.33152434 1 N N57 1 11.72210011 4.33316372 2.05622467 1 N N58 1 9.06866602 6.25302660 8.58424547 1 N N59 1 2.12325135 6.22443805 6.61582935 1 O O60 1 12.47823196 8.01697403 4.33155034 1 O O61 1 12.47823196 7.84205947 8.66520684 1 O O62 1 1.37008304 2.55571497 4.33155034 1 O O63 1 1.37008304 2.73062953 8.66520684 1 [/CIF]
C20Cr4K12N24O4
Pnc2
30
orthorhombic
mm2
1,724.030118
true
[CIF] data_CaHgRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38218781 _cell_length_b 4.62871124 _cell_length_c 4.70820886 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHgRu2 _chemical_formula_sum 'Ca1 Hg1 Ru2' _cell_volume 73.70781354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 1.69109391 0.00000000 2.35410443 1 Ru Ru2 1 1.69109391 2.31435562 0.00000000 1 Ru Ru3 1 0.00000000 2.31435562 2.35410443 1 [/CIF]
CaHgRu2
Pmmm
47
orthorhombic
mmm
9,975.875659
false
[CIF] data_CoHgCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88927945 _cell_length_b 4.88927945 _cell_length_c 4.88927945 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHgCl2 _chemical_formula_sum 'Co1 Hg1 Cl2' _cell_volume 82.64557050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 5.18586398 5.18586398 5.18586398 1 Cl Cl1 1 1.72862133 1.72862133 1.72862133 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 3.45724265 3.45724265 3.45724265 1 [/CIF]
Cl2CoHg
Fm-3m
225
cubic
m-3m
6,639.530171
false
[CIF] data_BiMo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45122782 _cell_length_b 4.26265368 _cell_length_c 4.76857050 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiMo2Rh _chemical_formula_sum 'Bi1 Mo2 Rh1' _cell_volume 70.15229544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 2.13132684 2.38428525 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.72561391 2.13132684 0.00000000 1 Rh Rh3 1 1.72561391 0.00000000 2.38428525 1 [/CIF]
BiMo2Rh
Pmmm
47
orthorhombic
mmm
11,925.331504
false
[CIF] data_LiVBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53483581 _cell_length_b 4.53483581 _cell_length_c 4.53483581 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVBr _chemical_formula_sum 'Li1 V1 Br1' _cell_volume 65.94315220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 4.80991973 4.80991973 4.80991973 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.60330658 1.60330658 1.60330658 1 [/CIF]
BrLiV
F-43m
216
cubic
-43m
3,469.653155
false
[CIF] data_La5Sm3Cr7FeO24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82615553 _cell_length_b 7.82615553 _cell_length_c 7.82582761 _cell_angle_alpha 90.00134360 _cell_angle_beta 90.00134360 _cell_angle_gamma 89.99859157 _symmetry_Int_Tables_number 1 _chemical_formula_structural La5Sm3Cr7FeO24 _chemical_formula_sum 'La5 Sm3 Cr7 Fe1 O24' _cell_volume 479.32184856 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.53379053 2.76589875 5.86865730 1 La La1 1 2.76783010 -0.00000000 5.86866341 1 La La2 1 8.29974896 -0.00000000 5.86864776 1 La La3 1 5.53379053 -2.76589875 5.86865730 1 La La4 1 8.29995903 -0.00000000 1.95719636 1 Sm Sm5 1 5.53393878 2.76607146 1.95710011 1 Sm Sm6 1 2.76778107 0.00000000 1.95707882 1 Sm Sm7 1 5.53393878 -2.76607146 1.95710011 1 Cr Cr8 1 2.76695699 2.76612680 0.00157651 1 Cr Cr9 1 2.76695699 -2.76612680 0.00157651 1 Cr Cr10 1 5.53319063 -0.00000000 0.00167661 1 Cr Cr11 1 0.00067372 0.00000000 3.91106832 1 Cr Cr12 1 2.76687808 2.76610859 3.91120824 1 Cr Cr13 1 2.76687808 -2.76610859 3.91120824 1 Cr Cr14 1 5.53307670 -0.00000000 3.91117819 1 Fe Fe15 1 0.00113384 -0.00000000 0.00242186 1 O O16 1 11.06774043 -0.00000000 5.86675375 1 O O17 1 8.30079711 -2.76687016 5.86846541 1 O O18 1 8.30079711 2.76687016 5.86846541 1 O O19 1 5.53386367 -0.00000000 5.86920926 1 O O20 1 0.00533951 -0.00000000 1.95968772 1 O O21 1 2.76692368 2.76136037 1.95733793 1 O O22 1 2.76692368 -2.76136037 1.95733793 1 O O23 1 5.52836501 0.00000000 1.95663110 1 O O24 1 6.91960682 4.14821665 0.00763989 1 O O25 1 4.15115902 1.38287776 0.00784524 1 O O26 1 4.15122213 -4.14566626 0.00377174 1 O O27 1 6.91403864 -1.38564021 0.00388505 1 O O28 1 6.91795815 4.14973569 3.90505315 1 O O29 1 4.15051937 1.38338052 3.90505229 1 O O30 1 4.15252758 -4.14695543 3.90905144 1 O O31 1 6.91443696 -1.38614734 3.90904237 1 O O32 1 4.15122213 4.14566626 0.00377174 1 O O33 1 6.91960682 -4.14821665 0.00763989 1 O O34 1 6.91403864 1.38564021 0.00388505 1 O O35 1 4.15115902 -1.38287776 0.00784524 1 O O36 1 4.15252758 4.14695543 3.90905144 1 O O37 1 6.91795815 -4.14973569 3.90505315 1 O O38 1 6.91443696 1.38614734 3.90904237 1 O O39 1 4.15051937 -1.38338052 3.90505229 1 [/CIF]
Cr7FeLa5O24Sm3
Cm
8
monoclinic
m
6,753.442496
false
[CIF] data_NaCr3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31539103 _cell_length_b 5.31539103 _cell_length_c 5.31539103 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCr3F _chemical_formula_sum 'Na1 Cr3 F1' _cell_volume 150.17777220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.65769551 0.00000000 2.65769551 1 Cr Cr1 1 2.65769551 2.65769551 0.00000000 1 Cr Cr2 1 0.00000000 2.65769551 2.65769551 1 F F3 1 0.00000000 0.00000000 0.00000000 1 Na Na4 1 2.65769551 2.65769551 2.65769551 1 [/CIF]
Cr3FNa
Pm-3m
221
cubic
m-3m
2,189.056756
false
[CIF] data_HfTaNbMoWC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.39183423 _cell_length_b 11.39183423 _cell_length_c 11.39183423 _cell_angle_alpha 164.02447873 _cell_angle_beta 164.02447873 _cell_angle_gamma 22.66721742 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaNbMoWC5 _chemical_formula_sum 'Hf1 Ta1 Nb1 Mo1 W1 C5' _cell_volume 111.96382301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 -0.00000000 22.31420804 1 C C1 1 0.00000000 -0.00000000 8.96731533 1 C C2 1 0.00000000 -0.00000000 17.92224414 1 C C3 1 0.00000000 -0.00000000 4.48346264 1 C C4 1 0.00000000 0.00000000 13.33367897 1 Hf Hf5 1 0.00000000 -0.00000000 15.62703916 1 Mo Mo6 1 0.00000000 -0.00000000 20.13008606 1 Nb Nb7 1 -0.00000000 0.00000000 2.18444121 1 Ta Ta8 1 0.00000000 -0.00000000 6.75980603 1 W W9 1 0.00000000 -0.00000000 11.14429049 1 [/CIF]
C5HfMoNbTaW
I4mm
107
tetragonal
4mm
11,749.110503
false
[CIF] data_Tl2GeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34572496 _cell_length_b 6.34572496 _cell_length_c 6.34572496 _cell_angle_alpha 137.54323713 _cell_angle_beta 137.54323713 _cell_angle_gamma 61.60327713 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2GeTe _chemical_formula_sum 'Tl2 Ge1 Te1' _cell_volume 115.10482252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 0.00000000 0.00000000 5.45063033 1 Tl Tl2 1 -0.00000000 2.29770040 2.72531517 1 Tl Tl3 1 2.29770040 0.00000000 2.72531517 1 [/CIF]
GeTeTl2
I4/mmm
139
tetragonal
4/mmm
8,785.724429
false
[CIF] data_RbSi3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39931295 _cell_length_b 5.39931295 _cell_length_c 5.39931295 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbSi3Au _chemical_formula_sum 'Rb1 Si3 Au1' _cell_volume 157.40390451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 2.69965647 0.00000000 1 Si Si1 1 0.00000000 0.00000000 2.69965647 1 Si Si2 1 2.69965647 0.00000000 0.00000000 1 Au Au3 1 2.69965647 2.69965647 2.69965647 1 Rb Rb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRbSi3
Pm-3m
221
cubic
m-3m
3,868.420642
false
[CIF] data_MgGa2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91606822 _cell_length_b 2.91606822 _cell_length_c 8.75915783 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.81165286 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGa2Os _chemical_formula_sum 'Mg1 Ga2 Os1' _cell_volume 67.05193370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.54934330 0.00000000 6.39840538 1 Ga Ga1 1 1.54934330 0.00000000 2.36075245 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 4.37957891 1 [/CIF]
Ga2MgOs
Cmmm
65
orthorhombic
mmm
8,766.328529
false
[CIF] data_CrAg2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80041739 _cell_length_b 4.80041739 _cell_length_c 4.80041739 _cell_angle_alpha 121.24138078 _cell_angle_beta 121.24138078 _cell_angle_gamma 87.86298565 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAg2Cl _chemical_formula_sum 'Cr1 Ag2 Cl1' _cell_volume 76.69512407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 -0.00000000 3.45711598 1 Ag Ag1 1 -0.00000000 2.35503251 1.72855799 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Cr Cr3 1 2.35503251 -0.00000000 1.72855799 1 [/CIF]
Ag2ClCr
I-4m2
119
tetragonal
-42m
6,564.320396
false
[CIF] data_Zn2CrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24176701 _cell_length_b 5.24176701 _cell_length_c 5.24176701 _cell_angle_alpha 133.42259931 _cell_angle_beta 133.42259931 _cell_angle_gamma 67.99125625 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CrPb _chemical_formula_sum 'Zn2 Cr1 Pb1' _cell_volume 74.65944095 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 -0.00000000 4.34584544 1 Zn Zn2 1 2.07240787 -0.00000000 2.17292272 1 Zn Zn3 1 -0.00000000 2.07240787 2.17292272 1 [/CIF]
CrPbZn2
I4/mmm
139
tetragonal
4/mmm
8,673.360179
false
[CIF] data_ZnGaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68631925 _cell_length_b 4.68631925 _cell_length_c 2.89032833 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGaGe _chemical_formula_sum 'Zn1 Ga1 Ge1' _cell_volume 54.97200203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000002 2.70564770 2.89015766 1 Ge Ge1 1 2.34315960 1.35282385 0.96758943 1 Zn Zn2 1 0.00000000 0.00000000 1.92290957 1 [/CIF]
GaGeZn
P3m1
156
trigonal
3m
6,275.292042
false
[CIF] data_ZrCoSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89778219 _cell_length_b 4.89778219 _cell_length_c 4.89778219 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCoSb2 _chemical_formula_sum 'Zr1 Co1 Sb2' _cell_volume 83.07749737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 -0.00000000 0.00000000 1 Sb Sb1 1 3.46325500 3.46325500 3.46325500 1 Sb Sb2 1 1.73162750 1.73162750 1.73162750 1 Zr Zr3 1 5.19488250 5.19488250 5.19488250 1 [/CIF]
CoSb2Zr
F-43m
216
cubic
-43m
7,868.753665
false
[CIF] data_La2TaGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67908737 _cell_length_b 4.67908737 _cell_length_c 4.57908690 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TaGa _chemical_formula_sum 'La2 Ta1 Ga1' _cell_volume 100.25388118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 2.33954368 2.28954345 1 La La2 1 2.33954368 0.00000000 2.28954345 1 Ta Ta3 1 2.33954368 2.33954368 0.00000000 1 [/CIF]
GaLa2Ta
P4/mmm
123
tetragonal
4/mmm
8,753.424352
false
[CIF] data_TlVInNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69493047 _cell_length_b 4.69493047 _cell_length_c 4.69493047 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVInNi _chemical_formula_sum 'Tl1 V1 In1 Ni1' _cell_volume 73.17664531 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.31981717 3.31981717 3.31981717 1 Ni Ni1 1 1.65990858 1.65990858 1.65990858 1 Tl Tl2 1 4.97972576 4.97972576 4.97972575 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InNiTlV
F-43m
216
cubic
-43m
9,731.236793
false
[CIF] data_BaNa2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.21827425 _cell_length_b 12.21827425 _cell_length_c 12.21827425 _cell_angle_alpha 16.37095524 _cell_angle_beta 16.37095524 _cell_angle_gamma 16.37095524 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2V _chemical_formula_sum 'Ba1 Na2 V1' _cell_volume 126.34450970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 0.00000000 18.07803185 1 Na Na1 1 0.00000000 0.00000000 9.49637892 1 Na Na2 1 0.00000000 -0.00000000 26.65968478 1 V V3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
BaNa2V
R-3m
166
trigonal
-3m
3,078.709318
false
[CIF] data_LaSnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04423015 _cell_length_b 8.04423015 _cell_length_c 8.04423015 _cell_angle_alpha 154.05534982 _cell_angle_beta 154.05534982 _cell_angle_gamma 37.01915968 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSnBr _chemical_formula_sum 'La1 Sn1 Br1' _cell_volume 99.49529624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 -0.00000000 14.68226596 1 La La1 1 0.00000000 -0.00000000 5.20704903 1 Sn Sn2 1 0.00000000 0.00000000 10.62311261 1 [/CIF]
BrLaSn
I4mm
107
tetragonal
4mm
5,633.186605
false
[CIF] data_HfGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23491974 _cell_length_b 7.23491974 _cell_length_c 3.19407722 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaNi _chemical_formula_sum 'Hf3 Ga3 Ni3' _cell_volume 144.79163700 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 4.40906036 0.00000000 0.00000000 1 Ga Ga1 1 -2.20453018 3.81835828 0.00000000 1 Ga Ga2 1 1.41292969 2.44726601 0.00000000 1 Hf Hf3 1 2.04628147 0.00000000 1.59703861 1 Hf Hf4 1 -1.02314074 1.77213174 1.59703861 1 Hf Hf5 1 2.59431913 4.49349255 1.59703861 1 Ni Ni6 1 -0.00000000 4.17708286 1.59703861 1 Ni Ni7 1 3.61745987 2.08854143 1.59703861 1 Ni Ni8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga3Hf3Ni3
P-62m
189
hexagonal
-6m2
10,560.417419
false
[CIF] data_GaOsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85571836 _cell_length_b 2.85571836 _cell_length_c 9.24909510 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.87168930 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaOsAu2 _chemical_formula_sum 'Ga1 Os1 Au2' _cell_volume 66.67770627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 0.07057753 1 Au Au1 1 1.47354365 0.00000000 6.77965275 1 Ga Ga2 1 0.00000000 0.00000000 4.52627545 1 Os Os3 1 1.47354365 0.00000000 2.49713701 1 [/CIF]
Au2GaOs
Cmm2
35
orthorhombic
mm2
16,284.355567
false
[CIF] data_HfCdRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42337067 _cell_length_b 5.42337067 _cell_length_c 5.42337067 _cell_angle_alpha 143.18287622 _cell_angle_beta 143.18287622 _cell_angle_gamma 53.05094914 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdRe _chemical_formula_sum 'Hf1 Cd1 Re1' _cell_volume 56.93269396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 0.05341071 1 Hf Hf1 1 0.00000000 -0.00000000 3.05795937 1 Re Re2 1 0.00000000 0.00000000 6.59359866 1 [/CIF]
CdHfRe
I4mm
107
tetragonal
4mm
13,915.668097
false
[CIF] data_V4ReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88614323 _cell_length_b 4.88614323 _cell_length_c 4.88614323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V4ReGe _chemical_formula_sum 'V4 Re1 Ge1' _cell_volume 82.48663403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 1.72751250 1.72751251 1.72751251 1 V V2 1 2.58685927 2.58685927 4.32319075 1 V V3 1 2.58685927 4.32319075 2.58685927 1 V V4 1 4.32319075 2.58685927 2.58685927 1 V V5 1 4.32319075 4.32319075 4.32319075 1 [/CIF]
GeReV4
F-43m
216
cubic
-43m
9,312.865875
false
[CIF] data_YHfBeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69490607 _cell_length_b 4.69490607 _cell_length_c 4.69490607 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfBeCu _chemical_formula_sum 'Y1 Hf1 Be1 Cu1' _cell_volume 73.17550463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 3.31979992 3.31979992 3.31979992 1 Hf Hf2 1 1.65989996 1.65989996 1.65989996 1 Y Y3 1 4.97969988 4.97969988 4.97969988 1 [/CIF]
BeCuHfY
F-43m
216
cubic
-43m
7,714.425119
false
[CIF] data_Re3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77980020 _cell_length_b 8.77980020 _cell_length_c 8.77980020 _cell_angle_alpha 18.64842946 _cell_angle_beta 18.64842946 _cell_angle_gamma 18.64842946 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re3Cl _chemical_formula_sum 'Re3 Cl1' _cell_volume 60.45746216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 -0.00000000 -0.00000000 19.41490077 1 Re Re2 1 -0.00000000 -0.00000000 12.93717101 1 Re Re3 1 -0.00000000 0.00000000 6.45944125 1 [/CIF]
ClRe3
R-3m
166
trigonal
-3m
16,316.978095
false
[CIF] data_NbPPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99898554 _cell_length_b 3.94935324 _cell_length_c 5.27472662 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPPd2 _chemical_formula_sum 'Nb1 P1 Pd2' _cell_volume 62.47414301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 2.63736331 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.49949277 1.97467662 1.31730843 1 Pd Pd3 1 1.49949277 1.97467662 3.95741819 1 [/CIF]
NbPPd2
Pmmm
47
orthorhombic
mmm
8,949.893881
false
[CIF] data_Na3HfRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68380478 _cell_length_b 5.68380478 _cell_length_c 5.68380478 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3HfRu _chemical_formula_sum 'Na3 Hf1 Ru1' _cell_volume 183.61893273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 2.84190239 2.84190239 2.84190239 1 Na Na2 1 2.84190239 0.00000000 2.84190239 1 Na Na3 1 2.84190239 2.84190239 0.00000000 1 Na Na4 1 0.00000000 2.84190239 2.84190239 1 [/CIF]
HfNa3Ru
Pm-3m
221
cubic
m-3m
3,151.889203
false
[CIF] data_Hf4Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.78883161 _cell_length_b 12.78883161 _cell_length_c 12.78883161 _cell_angle_alpha 14.55074343 _cell_angle_beta 14.55074343 _cell_angle_gamma 14.55074343 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Tl _chemical_formula_sum 'Hf4 Tl1' _cell_volume 114.95273743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 0.00000000 15.23440421 1 Hf Hf1 1 -0.00000000 0.00000000 30.31053002 1 Hf Hf2 1 -0.00000000 -0.00000000 7.64355305 1 Hf Hf3 1 -0.00000000 0.00000000 22.71967887 1 Tl Tl4 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Hf4Tl
R-3m
166
trigonal
-3m
13,265.842644
false
[CIF] data_Tl5Tc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54186905 _cell_length_b 7.54186905 _cell_length_c 3.33786825 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.41718930 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl5Tc3 _chemical_formula_sum 'Tl5 Tc3' _cell_volume 187.81218632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 4.92715617 3.77933589 1.66893412 1 Tc Tc2 1 4.92715617 -3.77933589 1.66893412 1 Tl Tl3 1 4.92715617 0.00000000 0.00000000 1 Tl Tl4 1 2.46357808 -2.85494837 0.00000000 1 Tl Tl5 1 2.46357809 2.85494837 0.00000000 1 Tl Tl6 1 7.51784877 0.00000000 1.66893412 1 Tl Tl7 1 2.33646357 -0.00000000 1.66893412 1 [/CIF]
Tc3Tl5
Cmmm
65
orthorhombic
mmm
11,658.695535
false
[CIF] data_Be2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83192212 _cell_length_b 4.83192212 _cell_length_c 2.92743852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2C _chemical_formula_sum 'Be6 C3' _cell_volume 59.19135278 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.28019131 0.00000000 1.46371926 1 Be Be1 1 -0.64009565 1.10867820 1.46371926 1 Be Be2 1 1.77586540 3.07588911 1.46371926 1 Be Be3 1 2.91977700 0.00000000 0.00000000 1 Be Be4 1 -1.45988850 2.52860106 0.00000000 1 Be Be5 1 0.95607256 1.65596625 0.00000000 1 C C6 1 0.00000000 2.78971153 1.46371926 1 C C7 1 2.41596106 1.39485577 1.46371926 1 C C8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C3Be6
P-62m
189
hexagonal
-6m2
2,527.788001
false
[CIF] data_TiAl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91707145 _cell_length_b 3.91707145 _cell_length_c 3.89625865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAl2Ir _chemical_formula_sum 'Ti1 Al2 Ir1' _cell_volume 59.78204491 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 1.95853573 1.94812933 1 Al Al1 1 1.95853573 0.00000000 1.94812933 1 Ir Ir2 1 1.95853573 1.95853573 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2IrTi
P4/mmm
123
tetragonal
4/mmm
8,167.624426
false
[CIF] data_MoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.73854068 _cell_length_b 9.73854068 _cell_length_c 9.73854068 _cell_angle_alpha 161.26277409 _cell_angle_beta 161.26277409 _cell_angle_gamma 26.61927665 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoOs2 _chemical_formula_sum 'Mo2 Os4' _cell_volume 95.26829596 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 -0.00000000 1.58529308 4.73848252 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.58529308 0.00000000 6.11136969 1 Os Os3 1 -0.00000000 0.00000000 8.10407786 1 Os Os4 1 1.58529308 -0.00000000 3.36559534 1 Os Os5 1 0.00000000 -0.00000000 10.84985220 1 [/CIF]
Mo2Os4
I4_1/amd
141
tetragonal
4/mmm
16,608.127901
false
[CIF] data_MgH4Br3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61971494 _cell_length_b 7.53884087 _cell_length_c 12.99698380 _cell_angle_alpha 90.26805416 _cell_angle_beta 90.59276393 _cell_angle_gamma 91.90007652 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgH4Br3N _chemical_formula_sum 'Mg4 H16 Br12 N4' _cell_volume 648.21468410 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.56688597 3.59645631 1.43062591 1 Br Br1 1 5.57644090 2.99734106 10.75461180 1 Br Br2 1 4.87499029 6.58216436 4.38493534 1 Br Br3 1 2.00169562 7.21093292 8.09052772 1 Br Br4 1 4.87718810 5.56823338 0.84983839 1 Br Br5 1 2.26677446 0.98545750 11.50599051 1 Br Br6 1 1.57105646 4.58525701 4.96515311 1 Br Br7 1 5.57112327 1.69816904 7.32712611 1 Br Br8 1 1.55724312 7.13061673 2.31726710 1 Br Br9 1 5.31808595 6.90485241 10.18125578 1 Br Br10 1 4.87978152 3.03296505 3.47080689 1 Br Br11 1 2.27203850 3.31347334 8.65424175 1 Mg Mg12 1 3.22923670 5.08313475 2.91220167 1 Mg Mg13 1 3.92835694 1.34505615 9.42178789 1 Mg Mg14 1 -0.07261399 5.08420946 2.92314300 1 Mg Mg15 1 0.61246331 1.34842214 9.42351126 1 N N16 1 5.71142556 1.33662547 0.66963071 1 N N17 1 5.71248872 5.10196717 7.34282543 1 N N18 1 2.39251111 1.30943019 5.15546040 1 N N19 1 2.24959247 5.12284372 11.52511660 1 H H20 1 5.36442511 0.35520642 0.63386080 1 H H21 1 5.42019302 1.76104919 12.75899857 1 H H22 1 0.10518215 1.32038383 0.86003708 1 H H23 1 5.25470483 1.85540769 1.44918231 1 H H24 1 5.39882234 5.58493977 8.21116864 1 H H25 1 5.51863053 4.07847409 7.39070186 1 H H26 1 0.11125635 5.23345643 7.24654878 1 H H27 1 5.25900587 5.51849703 6.50257550 1 H H28 1 2.24342630 0.79802211 6.05179562 1 H H29 1 3.40197233 1.47755781 5.02412870 1 H H30 1 1.91732862 2.23472666 5.17140652 1 H H31 1 2.05602700 0.74376323 4.34519640 1 H H32 1 1.68553059 4.66090043 12.26528956 1 H H33 1 3.23426480 5.10316451 11.83904753 1 H H34 1 1.97247620 6.12162203 11.42044808 1 H H35 1 2.16122253 4.61117139 10.62090045 1 [/CIF]
Br12H16Mg4N4
P1
1
triclinic
1
2,890.178959
false
[CIF] data_Tl2CrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35761555 _cell_length_b 3.35761555 _cell_length_c 9.01809952 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CrIn _chemical_formula_sum 'Tl2 Cr1 In1' _cell_volume 101.66628606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 4.61406255 1 In In1 1 1.67880777 1.67880777 6.34248377 1 Tl Tl2 1 0.00000000 0.00000000 8.92766566 1 Tl Tl3 1 1.67880777 1.67880777 2.66103682 1 [/CIF]
CrInTl2
P4mm
99
tetragonal
4mm
9,401.093277
false
[CIF] data_Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84282846 _cell_length_b 4.84282846 _cell_length_c 4.84282846 _cell_angle_alpha 56.47063366 _cell_angle_beta 56.47063366 _cell_angle_gamma 56.47063366 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi _chemical_formula_sum Bi2 _cell_volume 73.75984835 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 2.84469113 1 Bi Bi1 1 0.00000000 -0.00000000 9.32438946 1 [/CIF]
Bi2
R-3m
166
trigonal
-3m
9,409.458557
false
[CIF] data_NaZnCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.11278537 _cell_length_b 10.11278537 _cell_length_c 10.11278537 _cell_angle_alpha 18.51395792 _cell_angle_beta 18.51395792 _cell_angle_gamma 18.51395792 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnCd2 _chemical_formula_sum 'Na1 Zn1 Cd2' _cell_volume 91.09399641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 -0.00000000 -0.00000000 7.22268356 1 Cd Cd1 1 0.00000000 0.00000000 22.58770475 1 Na Na2 1 -0.00000000 -0.00000000 -0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 14.90519416 1 [/CIF]
Cd2NaZn
R-3m
166
trigonal
-3m
5,709.126706
false
[CIF] data_Ba2SiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72812190 _cell_length_b 8.72812190 _cell_length_c 8.72812190 _cell_angle_alpha 31.53006354 _cell_angle_beta 31.53006354 _cell_angle_gamma 31.53006354 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SiBr _chemical_formula_sum 'Ba2 Si1 Br1' _cell_volume 161.44002905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 6.40880363 1 Ba Ba1 1 0.00000000 -0.00000000 18.45362400 1 Br Br2 1 -0.00000000 0.00000000 12.43121381 1 Si Si3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Ba2BrSi
R-3m
166
trigonal
-3m
3,940.550663
false
[CIF] data_Na4AgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03751632 _cell_length_b 6.03751632 _cell_length_c 6.03751632 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4AgSb _chemical_formula_sum 'Na4 Ag1 Sb1' _cell_volume 155.61804493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 3.20317127 5.33516619 5.33516619 1 Na Na2 1 5.33516619 5.33516619 3.20317127 1 Na Na3 1 5.33516619 3.20317127 5.33516619 1 Na Na4 1 3.20317127 3.20317127 3.20317127 1 Sb Sb5 1 6.40375310 6.40375310 6.40375309 1 [/CIF]
AgNa4Sb
F-43m
216
cubic
-43m
3,431.531589
false
[CIF] data_SbRh2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23772882 _cell_length_b 3.23772882 _cell_length_c 6.43937947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbRh2Au _chemical_formula_sum 'Sb1 Rh2 Au1' _cell_volume 67.50329321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 3.21968974 1 Rh Rh1 1 1.61886441 1.61886441 4.95118871 1 Rh Rh2 1 1.61886441 1.61886441 1.48819076 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRh2Sb
P4/mmm
123
tetragonal
4/mmm
12,903.298252
false
[CIF] data_Fe2AgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36739033 _cell_length_b 4.36739033 _cell_length_c 4.36739033 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2AgPt _chemical_formula_sum 'Fe2 Ag1 Pt1' _cell_volume 58.90484633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 1.54410566 1.54410566 1.54410566 1 Fe Fe2 1 4.63231698 4.63231698 4.63231698 1 Pt Pt3 1 3.08821132 3.08821132 3.08821132 1 [/CIF]
AgFe2Pt
Fm-3m
225
cubic
m-3m
11,688.844206
false
[CIF] data_ScO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14068540 _cell_length_b 3.14068540 _cell_length_c 3.14068540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScO _chemical_formula_sum 'Sc1 O1' _cell_volume 21.90575914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 2.22079994 2.22079994 2.22079994 1 [/CIF]
OSc
Fm-3m
225
cubic
m-3m
4,621.638258
false
[CIF] data_SrCdOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89323551 _cell_length_b 3.77969921 _cell_length_c 7.77245555 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCdOs2 _chemical_formula_sum 'Sr1 Cd1 Os2' _cell_volume 84.99615379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.44661775 1.88984960 6.21576942 1 Os Os1 1 0.00000000 0.00000000 0.37809973 1 Os Os2 1 1.44661775 1.88984960 1.36183409 1 Sr Sr3 1 0.00000000 0.00000000 3.70298017 1 [/CIF]
CdOs2Sr
Pmm2
25
orthorhombic
mm2
11,340.842383
false
[CIF] data_TcMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21191620 _cell_length_b 4.21191620 _cell_length_c 4.21191620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoP2 _chemical_formula_sum 'Tc1 Mo1 P2' _cell_volume 52.83529898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 1.48913725 1.48913725 1.48913726 1 P P2 1 4.46741176 4.46741176 4.46741176 1 Tc Tc3 1 2.97827451 2.97827451 2.97827451 1 [/CIF]
MoP2Tc
Fm-3m
225
cubic
m-3m
8,071.293809
false
[CIF] data_FeCu2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03610980 _cell_length_b 3.03610980 _cell_length_c 5.51146443 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCu2Rh _chemical_formula_sum 'Fe1 Cu2 Rh1' _cell_volume 50.80447364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.09616833 1 Cu Cu1 1 1.51805490 1.51805490 1.35037084 1 Fe Fe2 1 0.00000000 0.00000000 2.73213505 1 Rh Rh3 1 1.51805490 1.51805490 4.08852237 1 [/CIF]
Cu2FeRh
P4mm
99
tetragonal
4mm
9,342.733113
false
[CIF] data_ZrSc2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33070871 _cell_length_b 4.19321919 _cell_length_c 6.12525929 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc2Ga _chemical_formula_sum 'Zr1 Sc2 Ga1' _cell_volume 85.54777038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 4.58278719 1 Sc Sc1 1 1.66535436 2.09660959 6.07078540 1 Sc Sc2 1 0.00000000 0.00000000 1.56872607 1 Zr Zr3 1 1.66535436 2.09660959 3.09084963 1 [/CIF]
GaSc2Zr
Pmm2
25
orthorhombic
mm2
4,869.336461
false
[CIF] data_ScTe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19584966 _cell_length_b 5.19584966 _cell_length_c 5.19584966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTe2Cl _chemical_formula_sum 'Sc1 Te2 Cl1' _cell_volume 99.18699452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 -0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 1.83701026 1.83701026 1.83701026 1 Te Te2 1 3.67402053 3.67402053 3.67402053 1 Te Te3 1 5.51103079 5.51103079 5.51103079 1 [/CIF]
ClScTe2
F-43m
216
cubic
-43m
5,618.596593
false
[CIF] data_SrBe2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42333966 _cell_length_b 4.42333966 _cell_length_c 4.25179037 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe2Sb _chemical_formula_sum 'Sr1 Be2 Sb1' _cell_volume 83.19024869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 2.21166983 2.12589519 1 Be Be1 1 2.21166983 0.00000000 2.12589519 1 Sb Sb2 1 2.21166983 2.21166983 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2SbSr
P4/mmm
123
tetragonal
4/mmm
4,539.183779
false
[CIF] data_ZrZnTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98034432 _cell_length_b 3.98034432 _cell_length_c 4.05572288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnTc2 _chemical_formula_sum 'Zr1 Zn1 Tc2' _cell_volume 64.25538906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 1.99017216 0.00000000 2.02786144 1 Tc Tc1 1 0.00000000 1.99017216 2.02786144 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.99017216 1.99017216 0.00000000 1 [/CIF]
Tc2ZnZr
P4/mmm
123
tetragonal
4/mmm
9,159.11158
false
[CIF] data_CaLaB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96009125 _cell_length_b 7.96009125 _cell_length_c 7.96009125 _cell_angle_alpha 24.36373755 _cell_angle_beta 24.36373755 _cell_angle_gamma 24.36373755 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaB2 _chemical_formula_sum 'Ca1 La1 B2' _cell_volume 75.45409404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 -0.00000000 0.97901090 1 B B1 1 -0.00000000 -0.00000000 16.42367060 1 Ca Ca2 1 0.00000000 0.00000000 10.61963342 1 La La3 1 0.00000000 0.00000000 6.71849687 1 [/CIF]
B2CaLa
R3m
160
trigonal
3m
4,414.779929
false
[CIF] data_BaYTaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19956581 _cell_length_b 5.19956581 _cell_length_c 5.19956581 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYTaBe _chemical_formula_sum 'Ba1 Y1 Ta1 Be1' _cell_volume 99.39996673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.83832412 1.83832412 1.83832412 1 Be Be1 1 0.00000000 -0.00000000 0.00000000 1 Ta Ta2 1 5.51497236 5.51497236 5.51497236 1 Y Y3 1 3.67664824 3.67664824 3.67664824 1 [/CIF]
BaBeTaY
F-43m
216
cubic
-43m
6,952.764798
false
[CIF] data_V2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46662355 _cell_length_b 4.46662355 _cell_length_c 2.66116025 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2Pd _chemical_formula_sum 'V2 Pd1' _cell_volume 53.09207882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 V V1 1 0.00000000 2.23331177 1.33058013 1 V V2 1 2.23331177 0.00000000 1.33058013 1 [/CIF]
PdV2
P4/mmm
123
tetragonal
4/mmm
6,515.007076
false
[CIF] data_ScTlIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00825446 _cell_length_b 3.00825446 _cell_length_c 8.09656035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlIr2 _chemical_formula_sum 'Sc1 Tl1 Ir2' _cell_volume 73.27059099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 0.17234848 1 Ir Ir1 1 1.50412723 1.50412723 1.99160592 1 Sc Sc2 1 0.00000000 0.00000000 3.71885963 1 Tl Tl3 1 1.50412723 1.50412723 6.26202640 1 [/CIF]
Ir2ScTl
P4mm
99
tetragonal
4mm
14,363.664954
false
[CIF] data_BaVPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02951908 _cell_length_b 5.02951908 _cell_length_c 5.02951908 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaVPt _chemical_formula_sum 'Ba1 V1 Pt1' _cell_volume 89.96309398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.33461058 5.33461058 5.33461058 1 Pt Pt1 1 3.55640705 3.55640705 3.55640705 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPtV
F-43m
216
cubic
-43m
7,075.921629
false
[CIF] data_ScGa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45944817 _cell_length_b 5.45944817 _cell_length_c 3.05602627 _cell_angle_alpha 100.14781478 _cell_angle_beta 100.14781478 _cell_angle_gamma 118.53100160 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGa2Ge _chemical_formula_sum 'Sc1 Ga2 Ge1' _cell_volume 75.11897625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.86827142 2.34631988 1.43433744 1 Ga Ga1 1 0.86827142 -2.34631988 1.43433744 1 Ge Ge2 1 2.79010866 -0.00000000 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2GeSc
C2/m
12
monoclinic
2/m
5,682.028136
false
[CIF] data_LiGa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67066602 _cell_length_b 3.67066602 _cell_length_c 6.52627880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGa2Br _chemical_formula_sum 'Li1 Ga2 Br1' _cell_volume 87.93370370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 3.26313940 1 Ga Ga1 1 1.83533301 1.83533301 5.19506483 1 Ga Ga2 1 1.83533301 1.83533301 1.33121397 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrGa2Li
P4/mmm
123
tetragonal
4/mmm
4,273.276686
false
[CIF] data_NaLiZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69349654 _cell_length_b 4.69349654 _cell_length_c 4.69349654 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiZn _chemical_formula_sum 'Na1 Li1 Zn1' _cell_volume 73.10961686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 4.97820484 4.97820484 4.97820484 1 Zn Zn2 1 1.65940161 1.65940162 1.65940161 1 [/CIF]
LiNaZn
F-43m
216
cubic
-43m
2,164.793944
false
[CIF] data_NaMoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73029126 _cell_length_b 3.86317340 _cell_length_c 6.85059535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMoRu2 _chemical_formula_sum 'Na1 Mo1 Ru2' _cell_volume 72.25726121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.36514563 1.93158670 2.88685636 1 Na Na1 1 0.00000000 0.00000000 5.24809203 1 Ru Ru2 1 1.36514563 1.93158670 0.40547900 1 Ru Ru3 1 0.00000000 0.00000000 1.73546564 1 [/CIF]
MoNaRu2
Pmm2
25
orthorhombic
mm2
7,378.941533
false
[CIF] data_ZrTlNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70517135 _cell_length_b 4.70517135 _cell_length_c 4.70517135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTlNiAu _chemical_formula_sum 'Zr1 Tl1 Ni1 Au1' _cell_volume 73.65654348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.99058786 4.99058786 4.99058786 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.32705857 3.32705857 3.32705857 1 Zr Zr3 1 1.66352929 1.66352929 1.66352929 1 [/CIF]
AuNiTlZr
F-43m
216
cubic
-43m
12,427.963533
false
[CIF] data_NaHf2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95587289 _cell_length_b 4.95587289 _cell_length_c 4.95587289 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHf2Hg _chemical_formula_sum 'Na1 Hf2 Hg1' _cell_volume 86.06874689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.75216566 1.75216566 1.75216567 1 Hf Hf1 1 5.25649700 5.25649700 5.25649700 1 Hg Hg2 1 3.50433133 3.50433133 3.50433133 1 Na Na3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Hf2HgNa
Fm-3m
225
cubic
m-3m
11,200.839007
false
[CIF] data_NaIrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23338969 _cell_length_b 3.23338969 _cell_length_c 6.71842610 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaIrBr _chemical_formula_sum 'Na1 Ir1 Br1' _cell_volume 60.82950393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 -0.00000002 1.86679842 0.10479603 1 Ir Ir1 1 1.61669483 0.93339921 2.12671059 1 Na Na2 1 0.00000000 0.00000000 4.48691955 1 [/CIF]
BrIrNa
P3m1
156
trigonal
3m
8,056.007838
false
[CIF] data_HfNiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02224433 _cell_length_b 5.02224433 _cell_length_c 5.02224433 _cell_angle_alpha 147.40028690 _cell_angle_beta 147.40028690 _cell_angle_gamma 46.77145551 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNiB _chemical_formula_sum 'Hf1 Ni1 B1' _cell_volume 36.63542650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 -0.00000000 0.00000000 0.29089203 1 Hf Hf1 1 -0.00000000 0.00000000 3.15315938 1 Ni Ni2 1 0.00000000 0.00000000 5.77531784 1 [/CIF]
BHfNi
I4mm
107
tetragonal
4mm
11,240.605851
false
[CIF] data_Sr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82674698 _cell_length_b 7.82674698 _cell_length_c 7.82674698 _cell_angle_alpha 153.21861111 _cell_angle_beta 153.21861111 _cell_angle_gamma 38.23634487 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Os _chemical_formula_sum 'Sr2 Os1' _cell_volume 97.18600885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 -0.00000000 0.00000000 5.62889855 1 Sr Sr2 1 0.00000000 0.00000000 9.16122823 1 [/CIF]
OsSr2
I4/mmm
139
tetragonal
4/mmm
6,244.513285
false
[CIF] data_TiCdRePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52722459 _cell_length_b 4.52722459 _cell_length_c 4.52722459 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdRePt _chemical_formula_sum 'Ti1 Cd1 Re1 Pt1' _cell_volume 65.61167465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.20123121 3.20123121 3.20123121 1 Pt Pt1 1 1.60061560 1.60061560 1.60061560 1 Re Re2 1 4.80184682 4.80184682 4.80184682 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdPtReTi
F-43m
216
cubic
-43m
13,706.348551
false
[CIF] data_Cu2MoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71526653 _cell_length_b 3.80488738 _cell_length_c 5.30428360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2MoRh _chemical_formula_sum 'Cu2 Mo1 Rh1' _cell_volume 54.80005686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.08172161 1 Cu Cu1 1 1.35763327 1.90244369 1.24293702 1 Mo Mo2 1 0.00000000 0.00000000 2.70219244 1 Rh Rh3 1 1.35763327 1.90244369 3.92957428 1 [/CIF]
Cu2MoRh
Pmm2
25
orthorhombic
mm2
9,877.091263
false
[CIF] data_KSrSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79180553 _cell_length_b 3.79180553 _cell_length_c 10.77503207 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrSc2 _chemical_formula_sum 'K1 Sr1 Sc2' _cell_volume 154.92113948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 8.47572966 1 Sc Sc1 1 1.89590277 1.89590277 0.64038677 1 Sc Sc2 1 0.00000000 0.00000000 2.29133050 1 Sr Sr3 1 1.89590277 1.89590277 4.75510128 1 [/CIF]
KSc2Sr
P4mm
99
tetragonal
4mm
2,321.973655
false
[CIF] data_ThTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00189835 _cell_length_b 5.00189835 _cell_length_c 5.00189835 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThTe _chemical_formula_sum 'Th1 Te1' _cell_volume 88.48906093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 0.00000000 0.00000000 0.00000000 1 Th Th1 1 5.30531436 5.30531436 5.30531436 1 [/CIF]
TeTh
F-43m
216
cubic
-43m
6,748.778235
false
[CIF] data_BeIn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17014951 _cell_length_b 4.17014951 _cell_length_c 3.80086744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeIn2Ru _chemical_formula_sum 'Be1 In2 Ru1' _cell_volume 66.09764326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 0.00000000 2.08507475 1.90043372 1 In In2 1 2.08507475 0.00000000 1.90043372 1 Ru Ru3 1 2.08507475 2.08507475 0.00000000 1 [/CIF]
BeIn2Ru
P4/mmm
123
tetragonal
4/mmm
8,534.618526
false
[CIF] data_CaMg2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33561796 _cell_length_b 3.33561796 _cell_length_c 7.64557113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg2Co _chemical_formula_sum 'Ca1 Mg2 Co1' _cell_volume 85.06727874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 4.22945755 1 Co Co1 1 1.66780898 1.66780898 6.09709847 1 Mg Mg2 1 0.00000000 0.00000000 7.24075626 1 Mg Mg3 1 1.66780898 1.66780898 1.54661555 1 [/CIF]
CaCoMg2
P4mm
99
tetragonal
4mm
2,881.610473
false
[CIF] data_Ce(NiGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69028203 _cell_length_b 5.69028203 _cell_length_c 5.69028203 _cell_angle_alpha 137.35630509 _cell_angle_beta 137.35630509 _cell_angle_gamma 61.89029143 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce(NiGe)2 _chemical_formula_sum 'Ce1 Ni2 Ge2' _cell_volume 83.56794450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 2.06902335 -0.00000000 2.44016364 1 Ni Ni1 1 -0.00000000 2.06902335 2.44016364 1 Ge Ge2 1 0.00000000 -0.00000000 6.15060936 1 Ge Ge3 1 0.00000000 -0.00000000 3.61004519 1 Ce Ce4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CeGe2Ni2
I4/mmm
139
tetragonal
4/mmm
8,003.506353
false
[CIF] data_DyTmPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86892941 _cell_length_b 4.86892941 _cell_length_c 4.86892941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyTmPt2 _chemical_formula_sum 'Dy1 Tm1 Pt2' _cell_volume 81.61790361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 1.72142650 1.72142650 1.72142650 1 Pt Pt2 1 5.16427950 5.16427950 5.16427950 1 Tm Tm3 1 3.44285300 3.44285300 3.44285300 1 [/CIF]
DyPt2Tm
Fm-3m
225
cubic
m-3m
14,681.198698
false
[CIF] data_CdTcOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53041107 _cell_length_b 4.53041107 _cell_length_c 4.53041107 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTcOsAu _chemical_formula_sum 'Cd1 Tc1 Os1 Au1' _cell_volume 65.75031411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.80522659 4.80522659 4.80522659 1 Cd Cd1 1 1.60174220 1.60174220 1.60174220 1 Os Os2 1 3.20348439 3.20348439 3.20348439 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCdOsTc
F-43m
216
cubic
-43m
15,115.60072
false
[CIF] data_CdFe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08061022 _cell_length_b 5.08061022 _cell_length_c 5.08061022 _cell_angle_alpha 132.84179240 _cell_angle_beta 132.84179240 _cell_angle_gamma 68.90271285 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFe2Te _chemical_formula_sum 'Cd1 Fe2 Te1' _cell_volume 69.21602285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 4.18950556 1 Fe Fe1 1 0.00000000 2.03231929 2.09475278 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.03231929 0.00000000 2.09475278 1 [/CIF]
CdFe2Te
I-4m2
119
tetragonal
-42m
8,437.544173
false
[CIF] data_MgRe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49205915 _cell_length_b 9.49205915 _cell_length_c 9.49205915 _cell_angle_alpha 16.86360618 _cell_angle_beta 16.86360618 _cell_angle_gamma 16.86360618 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRe2Pt _chemical_formula_sum 'Mg1 Re2 Pt1' _cell_volume 62.77894509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 -0.00000000 -0.00000000 14.03251612 1 Re Re2 1 0.00000000 0.00000000 21.11826993 1 Re Re3 1 -0.00000000 0.00000000 6.94676230 1 [/CIF]
MgPtRe2
R-3m
166
trigonal
-3m
15,653.528406
false
[CIF] data_ZnInBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05901332 _cell_length_b 4.05901332 _cell_length_c 5.74829537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInBr _chemical_formula_sum 'Zn1 In1 Br1' _cell_volume 82.01828059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 -0.00000002 2.34347244 5.58319318 1 In In1 1 2.02950664 1.17173623 2.08783359 1 Zn Zn2 1 0.00000000 0.00000000 3.82556392 1 [/CIF]
BrInZn
P3m1
156
trigonal
3m
5,266.015445
false
[CIF] data_Zn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97124091 _cell_length_b 4.97124091 _cell_length_c 7.91008562 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2Cu _chemical_formula_sum 'Zn8 Cu4' _cell_volume 169.29394902 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 2.87014728 0.41697882 1 Cu Cu1 1 2.48562045 1.43507364 4.37202163 1 Cu Cu2 1 2.48562045 1.43507364 7.49310680 1 Cu Cu3 1 -0.00000000 2.87014728 3.53806399 1 Zn Zn4 1 0.00000000 0.00000000 0.00000000 1 Zn Zn5 1 0.00000000 0.00000000 3.95504281 1 Zn Zn6 1 2.48562045 2.82455035 1.97752140 1 Zn Zn7 1 -0.00000000 1.48067056 5.93256421 1 Zn Zn8 1 1.28229832 0.74033528 1.97752140 1 Zn Zn9 1 3.68894259 0.74033528 1.97752140 1 Zn Zn10 1 -1.20332213 3.56488563 5.93256421 1 Zn Zn11 1 1.20332213 3.56488563 5.93256421 1 [/CIF]
Cu4Zn8
P6_3/mmc
194
hexagonal
6/mmm
7,623.490368
false
[CIF] data_VNiMoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35850077 _cell_length_b 4.35850077 _cell_length_c 4.35850077 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNiMoAu _chemical_formula_sum 'V1 Ni1 Mo1 Au1' _cell_volume 58.54588606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.08192545 3.08192545 3.08192545 1 Mo Mo1 1 4.62288817 4.62288817 4.62288817 1 Ni Ni2 1 1.54096272 1.54096272 1.54096272 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuMoNiV
F-43m
216
cubic
-43m
11,417.865387
false