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_CrCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60539496 _cell_length_b 4.60539496 _cell_length_c 4.34644055 _cell_angle_alpha 104.20752574 _cell_angle_beta 104.20752574 _cell_angle_gamma 37.57143123 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2Sn _chemical_formula_sum 'Cr1 Co2 Sn1' _cell_volume 54.28899219 _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 8.69573353 0.00000000 0.02299150 1 Co Co1 1 1.33785472 -0.00000000 2.99562258 1 Cr Cr2 1 3.80437136 0.00000000 2.36856241 1 Sn Sn3 1 6.27217029 0.00000000 0.90958780 1 [/CIF]
Co2CrSn
Cm
8
monoclinic
m
8,826.575588
false
[CIF] data_CdNi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49020533 _cell_length_b 4.49020533 _cell_length_c 4.49020533 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNi2Pb _chemical_formula_sum 'Cd1 Ni2 Pb1' _cell_volume 64.01527370 _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 0.00000000 1 Ni Ni1 1 4.76258196 4.76258196 4.76258196 1 Ni Ni2 1 1.58752732 1.58752732 1.58752732 1 Pb Pb3 1 3.17505464 3.17505464 3.17505464 1 [/CIF]
CdNi2Pb
Fm-3m
225
cubic
m-3m
11,335.605973
false
[CIF] data_BeAl2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87872232 _cell_length_b 3.87872232 _cell_length_c 3.68781118 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAl2Si _chemical_formula_sum 'Be1 Al2 Si1' _cell_volume 55.48122675 _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 1.93936116 0.00000000 1.84390559 1 Al Al1 1 0.00000000 1.93936116 1.84390559 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 1.93936116 1.93936116 0.00000000 1 [/CIF]
Al2BeSi
P4/mmm
123
tetragonal
4/mmm
2,725.425463
false
[CIF] data_LiCdRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20676101 _cell_length_b 4.20676101 _cell_length_c 4.20676101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdRe _chemical_formula_sum 'Li1 Cd1 Re1' _cell_volume 52.64153246 _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 1.48731462 1.48731462 1.48731462 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.46194386 4.46194386 4.46194386 1 [/CIF]
CdLiRe
F-43m
216
cubic
-43m
9,638.637649
false
[CIF] data_Mn2BeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81081071 _cell_length_b 4.81081071 _cell_length_c 4.81081071 _cell_angle_alpha 134.37660440 _cell_angle_beta 134.37660440 _cell_angle_gamma 66.50037399 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2BeTe _chemical_formula_sum 'Mn2 Be1 Te1' _cell_volume 55.98463775 _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 Mn Mn1 1 1.86516955 0.00000000 2.01160290 1 Mn Mn2 1 0.00000000 0.00000000 4.02320579 1 Te Te3 1 0.00000000 1.86516955 2.01160290 1 [/CIF]
BeMn2Te
I-4m2
119
tetragonal
-42m
7,310.994973
false
[CIF] data_Ti2VBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06138289 _cell_length_b 4.53970300 _cell_length_c 5.45105630 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.47061811 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2VBi _chemical_formula_sum 'Ti2 V1 Bi1' _cell_volume 74.49602501 _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 0.17618760 2.26985150 4.00141645 1 Ti Ti1 1 0.01876151 0.00000000 0.19081109 1 Ti Ti2 1 1.91223951 2.26985150 1.41873642 1 V V3 1 0.99894461 0.00000000 2.42946589 1 [/CIF]
BiTi2V
Pm
6
monoclinic
m
7,927.678237
false
[CIF] data_KMg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87922929 _cell_length_b 2.87922929 _cell_length_c 11.04042703 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg2W _chemical_formula_sum 'K1 Mg2 W1' _cell_volume 91.52471286 _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 8.08460585 1 Mg Mg1 1 1.43961465 1.43961465 0.37684544 1 Mg Mg2 1 0.00000000 0.00000000 2.99323884 1 W W3 1 1.43961465 1.43961465 5.10595042 1 [/CIF]
KMg2W
P4mm
99
tetragonal
4mm
4,926.719205
false
[CIF] data_VCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89101931 _cell_length_b 5.10391520 _cell_length_c 4.61409561 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.20310639 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCuTe2 _chemical_formula_sum 'V1 Cu1 Te2' _cell_volume 89.56281414 _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 2.57995333 2.55195760 1.09460882 1 Te Te1 1 3.39778163 0.00000000 0.42976794 1 Te Te2 1 0.79155979 2.55195760 2.97736329 1 V V3 1 1.49527754 0.00000000 2.26301621 1 [/CIF]
CuTe2V
Pm
6
monoclinic
m
6,854.189901
false
[CIF] data_La2VZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22310882 _cell_length_b 6.22310882 _cell_length_c 5.22091459 _cell_angle_alpha 112.61346390 _cell_angle_beta 112.61346390 _cell_angle_gamma 31.99212832 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2VZn _chemical_formula_sum 'La2 V1 Zn1' _cell_volume 98.17823681 _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 0.21282612 -0.00000000 0.12260028 1 La La1 1 1.15609121 -0.00000000 3.42814394 1 V V2 1 4.56487700 -0.00000000 2.29959595 1 Zn Zn3 1 8.88011860 -0.00000000 1.32723076 1 [/CIF]
La2VZn
Cm
8
monoclinic
m
6,666.164879
false
[CIF] data_Hg2BiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67611426 _cell_length_b 3.67611426 _cell_length_c 8.50746980 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2BiAs _chemical_formula_sum 'Hg2 Bi1 As1' _cell_volume 114.96838195 _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 As As0 1 0.00000000 0.00000000 4.53405322 1 Bi Bi1 1 1.83805713 1.83805713 5.91915557 1 Hg Hg2 1 0.00000000 0.00000000 0.10929649 1 Hg Hg3 1 1.83805713 1.83805713 2.19869934 1 [/CIF]
AsBiHg2
P4mm
99
tetragonal
4mm
9,894.941596
false
[CIF] data_KZnHgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91821799 _cell_length_b 4.91821799 _cell_length_c 4.91821799 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnHgRh _chemical_formula_sum 'K1 Zn1 Hg1 Rh1' _cell_volume 84.12175479 _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 Hg Hg0 1 1.73885265 1.73885265 1.73885264 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 5.21655794 5.21655794 5.21655794 1 Zn Zn3 1 3.47770529 3.47770529 3.47770529 1 [/CIF]
HgKRhZn
F-43m
216
cubic
-43m
8,053.284608
false
[CIF] data_VOsPbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54994556 _cell_length_b 4.54994556 _cell_length_c 4.54994556 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VOsPbW _chemical_formula_sum 'V1 Os1 Pb1 W1' _cell_volume 66.60450476 _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 3.21729736 3.21729736 3.21729736 1 Pb Pb1 1 1.60864868 1.60864868 1.60864868 1 V V2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.82594604 4.82594604 4.82594604 1 [/CIF]
OsPbVW
F-43m
216
cubic
-43m
15,761.875234
false
[CIF] data_AlTcPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66237633 _cell_length_b 4.66237633 _cell_length_c 2.78463240 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTcPd2 _chemical_formula_sum 'Al1 Tc1 Pd2' _cell_volume 60.53165143 _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 0.00000000 0.00000000 1 Pd Pd1 1 0.00000000 2.33118816 1.39231620 1 Pd Pd2 1 2.33118816 0.00000000 1.39231620 1 Tc Tc3 1 2.33118816 2.33118816 0.00000000 1 [/CIF]
AlPd2Tc
P4/mmm
123
tetragonal
4/mmm
9,292.174088
false
[CIF] data_ScAlW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25165861 _cell_length_b 5.25165861 _cell_length_c 2.75177742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.37880193 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlW2 _chemical_formula_sum 'Sc1 Al1 W2' _cell_volume 67.99144590 _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 0.00000000 0.00000000 1 Sc Sc1 1 2.76821756 0.00000000 0.00000000 1 W W2 1 1.38410878 -2.23141714 1.37588871 1 W W3 1 1.38410878 2.23141714 1.37588871 1 [/CIF]
AlScW2
Cmmm
65
orthorhombic
mmm
10,736.673436
false
[CIF] data_Ca2IrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16006603 _cell_length_b 4.16006603 _cell_length_c 5.92869804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2IrSe _chemical_formula_sum 'Ca2 Ir1 Se1' _cell_volume 102.60293404 _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 2.08003302 2.08003302 5.08329688 1 Ca Ca1 1 0.00000000 0.00000000 2.32341935 1 Ir Ir2 1 2.08003302 2.08003302 2.13955217 1 Se Se3 1 0.00000000 0.00000000 5.27547664 1 [/CIF]
Ca2IrSe
P4mm
99
tetragonal
4mm
5,686.060452
false
[CIF] data_NaHfTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86915517 _cell_length_b 4.86915517 _cell_length_c 4.86915517 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfTe _chemical_formula_sum 'Na1 Hf1 Te1' _cell_volume 81.62925764 _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 5.16451896 5.16451896 5.16451896 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.72150632 1.72150632 1.72150632 1 [/CIF]
HfNaTe
F-43m
216
cubic
-43m
6,694.28865
false
[CIF] data_TlZnInGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11817753 _cell_length_b 5.11817753 _cell_length_c 5.11817753 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnInGa _chemical_formula_sum 'Tl1 Zn1 In1 Ga1' _cell_volume 94.80495580 _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 3.61909804 3.61909804 3.61909804 1 In In1 1 1.80954902 1.80954902 1.80954902 1 Tl Tl2 1 5.42864706 5.42864706 5.42864706 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaInTlZn
F-43m
216
cubic
-43m
7,957.284848
false
[CIF] data_Ta2InRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07879205 _cell_length_b 6.07879205 _cell_length_c 6.07879205 _cell_angle_alpha 138.07152118 _cell_angle_beta 138.07152118 _cell_angle_gamma 60.79347824 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2InRh2 _chemical_formula_sum 'Ta2 In1 Rh2' _cell_volume 99.20580166 _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 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 -0.00000000 0.00000000 6.51645378 1 Rh Rh2 1 -0.00000000 0.00000000 3.96997882 1 Ta Ta3 1 -0.00000000 2.17490180 2.62160815 1 Ta Ta4 1 2.17490180 0.00000000 2.62160815 1 [/CIF]
InRh2Ta2
I4/mmm
139
tetragonal
4/mmm
11,424.322055
false
[CIF] data_KZnMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70870762 _cell_length_b 4.70870762 _cell_length_c 4.70870762 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnMoRh _chemical_formula_sum 'K1 Zn1 Mo1 Rh1' _cell_volume 73.82274264 _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 0.00000000 1 Mo Mo1 1 3.32955909 3.32955909 3.32955909 1 Rh Rh2 1 1.66477955 1.66477955 1.66477955 1 Zn Zn3 1 4.99433864 4.99433864 4.99433864 1 [/CIF]
KMoRhZn
F-43m
216
cubic
-43m
6,823.293371
false
[CIF] data_BTeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34835174 _cell_length_b 4.34835174 _cell_length_c 4.34835174 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BTeAs _chemical_formula_sum 'B1 Te1 As1' _cell_volume 58.13785474 _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 As As0 1 4.61212350 4.61212350 4.61212350 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.53737450 1.53737450 1.53737450 1 [/CIF]
AsBTe
F-43m
216
cubic
-43m
6,093.226488
false
[CIF] data_BaAlPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41025125 _cell_length_b 5.41025125 _cell_length_c 5.41025125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAlPbAu _chemical_formula_sum 'Ba1 Al1 Pb1 Au1' _cell_volume 111.97918579 _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 0.00000000 0.00000000 1 Au Au1 1 5.73843803 5.73843803 5.73843803 1 Ba Ba2 1 3.82562535 3.82562535 3.82562535 1 Pb Pb3 1 1.91281268 1.91281268 1.91281268 1 [/CIF]
AlAuBaPb
F-43m
216
cubic
-43m
8,429.915952
false
[CIF] data_MnZnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14720172 _cell_length_b 4.14720172 _cell_length_c 2.62031357 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZnRh _chemical_formula_sum 'Mn1 Zn1 Rh1' _cell_volume 39.02961047 _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 Mn Mn0 1 0.00000000 0.00000000 2.55794806 1 Rh Rh1 1 2.07360086 1.19719401 0.90777093 1 Zn Zn2 1 -0.00000000 2.39438803 1.77490815 1 [/CIF]
MnRhZn
P3m1
156
trigonal
3m
9,497.184635
false
[CIF] data_CuBiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62426457 _cell_length_b 4.62426457 _cell_length_c 4.62426457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBiPd2 _chemical_formula_sum 'Cu1 Bi1 Pd2' _cell_volume 69.92186804 _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 3.26984883 3.26984883 3.26984883 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.63492442 1.63492442 1.63492442 1 Pd Pd3 1 4.90477325 4.90477325 4.90477325 1 [/CIF]
BiCuPd2
Fm-3m
225
cubic
m-3m
11,528.419607
false
[CIF] data_FeNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22854485 _cell_length_b 4.22854485 _cell_length_c 4.22854485 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNi2Sn _chemical_formula_sum 'Fe1 Ni2 Sn1' _cell_volume 53.46355421 _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 Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 2.99003274 2.99003274 2.99003274 1 Ni Ni2 1 1.49501637 1.49501637 1.49501637 1 Sn Sn3 1 4.48504911 4.48504911 4.48504911 1 [/CIF]
FeNi2Sn
F-43m
216
cubic
-43m
9,067.499743
false
[CIF] data_V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63037436 _cell_length_b 2.63037436 _cell_length_c 2.63037436 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V _chemical_formula_sum V1 _cell_volume 12.86878935 _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 V V0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
V
Fm-3m
225
cubic
m-3m
6,573.29517
false
[CIF] data_SbW2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77144288 _cell_length_b 4.77144288 _cell_length_c 4.77144288 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbW2Br _chemical_formula_sum 'Sb1 W2 Br1' _cell_volume 76.81290516 _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 0.00000000 1 Sb Sb1 1 5.06087943 5.06087943 5.06087943 1 W W2 1 3.37391962 3.37391962 3.37391962 1 W W3 1 1.68695981 1.68695981 1.68695981 1 [/CIF]
BrSbW2
F-43m
216
cubic
-43m
12,308.061417
false
[CIF] data_SrZrTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24947181 _cell_length_b 8.24947181 _cell_length_c 8.24947181 _cell_angle_alpha 157.52125080 _cell_angle_beta 157.52125080 _cell_angle_gamma 32.00057157 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrTi _chemical_formula_sum 'Sr1 Zr1 Ti1' _cell_volume 82.00506910 _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 Sr Sr0 1 0.00000000 -0.00000000 15.77572015 1 Ti Ti1 1 0.00000000 -0.00000000 4.94423181 1 Zr Zr2 1 0.00000000 -0.00000000 10.99960772 1 [/CIF]
SrTiZr
I4mm
107
tetragonal
4mm
4,590.72197
false
[CIF] data_NbGaReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47781863 _cell_length_b 4.47781863 _cell_length_c 4.47781863 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaReMo _chemical_formula_sum 'Nb1 Ga1 Re1 Mo1' _cell_volume 63.48695528 _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 Mo Mo1 1 3.16629592 3.16629592 3.16629592 1 Nb Nb2 1 4.74944388 4.74944388 4.74944388 1 Re Re3 1 1.58314796 1.58314796 1.58314796 1 [/CIF]
GaMoNbRe
F-43m
216
cubic
-43m
11,633.913808
false
[CIF] data_Na2Nb2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.30122377 _cell_length_b 8.30122377 _cell_length_c 8.30122377 _cell_angle_alpha 155.13133619 _cell_angle_beta 155.13133619 _cell_angle_gamma 35.45727645 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Nb2V _chemical_formula_sum 'Na2 Nb2 V1' _cell_volume 101.04770271 _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 Na Na0 1 0.00000000 1.78742378 3.95349683 1 Na Na1 1 1.78742378 0.00000000 3.95349683 1 Nb Nb2 1 -0.00000000 -0.00000000 9.09869145 1 Nb Nb3 1 -0.00000000 0.00000000 6.71529585 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2Nb2V
I4/mmm
139
tetragonal
4/mmm
4,646.226538
false
[CIF] data_Sr2Mn3(BiO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.90295915 _cell_length_b 10.90295915 _cell_length_c 10.90295915 _cell_angle_alpha 157.05439257 _cell_angle_beta 157.05439257 _cell_angle_gamma 32.67454193 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Mn3(BiO)2 _chemical_formula_sum 'Sr2 Mn3 Bi2 O2' _cell_volume 196.82273633 _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 -0.00000000 17.60190213 1 Bi Bi1 1 0.00000000 0.00000000 3.32354803 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 2.16862885 0.00000000 5.23136254 1 Mn Mn4 1 0.00000000 2.16862884 5.23136254 1 O O5 1 0.00000000 2.16862884 -0.00000000 1 O O6 1 2.16862884 0.00000000 -0.00000000 1 Sr Sr7 1 0.00000000 0.00000000 8.86217841 1 Sr Sr8 1 -0.00000000 0.00000000 12.06327175 1 [/CIF]
Bi2Mn3O2Sr2
I4/mmm
139
tetragonal
4/mmm
6,665.127691
false
[CIF] data_NbGe2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81764165 _cell_length_b 4.81764165 _cell_length_c 4.81764165 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGe2Sb _chemical_formula_sum 'Nb1 Ge2 Sb1' _cell_volume 79.06576559 _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 1.70329354 1.70329354 1.70329354 1 Ge Ge1 1 5.10988062 5.10988062 5.10988062 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.40658708 3.40658708 3.40658708 1 [/CIF]
Ge2NbSb
Fm-3m
225
cubic
m-3m
7,559.593225
false
[CIF] data_Ag4C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59902301 _cell_length_b 4.59902301 _cell_length_c 4.59902301 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag4C3 _chemical_formula_sum 'Ag4 C3' _cell_volume 97.27399385 _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 Ag Ag1 1 0.00000000 2.29951150 2.29951150 1 Ag Ag2 1 2.29951150 0.00000000 2.29951150 1 Ag Ag3 1 2.29951150 2.29951150 0.00000000 1 C C4 1 0.00000000 2.29951150 0.00000000 1 C C5 1 0.00000000 0.00000000 2.29951150 1 C C6 1 2.29951150 0.00000000 0.00000000 1 [/CIF]
C3Ag4
Pm-3m
221
cubic
m-3m
7,980.654639
false
[CIF] data_Al2CoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90071134 _cell_length_b 4.90071134 _cell_length_c 4.90071134 _cell_angle_alpha 132.07144653 _cell_angle_beta 132.07144653 _cell_angle_gamma 70.11620825 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CoCl _chemical_formula_sum 'Al2 Co1 Cl1' _cell_volume 63.57734456 _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 1.99050712 2.00578753 1 Al Al1 1 1.99050712 -0.00000000 2.00578753 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Co Co3 1 0.00000000 0.00000000 4.01157506 1 [/CIF]
Al2ClCo
I4/mmm
139
tetragonal
4/mmm
3,874.646916
false
[CIF] data_KHfHgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99754709 _cell_length_b 4.99754709 _cell_length_c 4.99754709 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfHgAu _chemical_formula_sum 'K1 Hf1 Hg1 Au1' _cell_volume 88.25832651 _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 1.76689972 1.76689972 1.76689972 1 Hf Hf1 1 5.30069916 5.30069916 5.30069916 1 Hg Hg2 1 3.53379944 3.53379944 3.53379944 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHfHgK
F-43m
216
cubic
-43m
11,573.662531
false
[CIF] data_SbAs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17394716 _cell_length_b 4.34827992 _cell_length_c 6.30206131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAs2Au _chemical_formula_sum 'Sb1 As2 Au1' _cell_volume 86.97607600 _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 As As0 1 1.58697358 2.17413996 1.86418118 1 As As1 1 1.58697358 2.17413996 4.43788013 1 Au Au2 1 0.00000000 0.00000000 3.15103066 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2AuSb
Pmmm
47
orthorhombic
mmm
8,945.88998
false
[CIF] data_ZnGeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66397907 _cell_length_b 4.66397907 _cell_length_c 2.77473602 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGeMo2 _chemical_formula_sum 'Zn1 Ge1 Mo2' _cell_volume 60.35800235 _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 2.33198953 2.33198953 0.00000000 1 Mo Mo1 1 2.33198953 0.00000000 1.38736801 1 Mo Mo2 1 0.00000000 2.33198953 1.38736801 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeMo2Zn
P4/mmm
123
tetragonal
4/mmm
9,077.143682
false
[CIF] data_AlHgB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01334287 _cell_length_b 6.01334287 _cell_length_c 6.01334287 _cell_angle_alpha 153.26005562 _cell_angle_beta 146.80632806 _cell_angle_gamma 43.12343806 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHgB _chemical_formula_sum 'Al1 Hg1 B1' _cell_volume 53.42845690 _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 0.00000000 10.10012292 1 B B1 1 0.00000000 0.00000000 4.93275240 1 Hg Hg2 1 0.00000000 0.00000000 7.33729493 1 [/CIF]
AlBHg
Imm2
44
orthorhombic
mm2
7,408.851782
false
[CIF] data_LiSiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82837388 _cell_length_b 2.82837388 _cell_length_c 8.20478054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSiAu2 _chemical_formula_sum 'Li1 Si1 Au2' _cell_volume 65.63577315 _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 8.02738088 1 Au Au1 1 1.41418694 1.41418694 2.22208693 1 Li Li2 1 0.00000000 0.00000000 4.14257884 1 Si Si3 1 1.41418694 1.41418694 6.11990478 1 [/CIF]
Au2LiSi
P4mm
99
tetragonal
4mm
10,853.997043
false
[CIF] data_CoGe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22165746 _cell_length_b 3.51154995 _cell_length_c 5.13077590 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoGe2Pd _chemical_formula_sum 'Co1 Ge2 Pd1' _cell_volume 58.04452467 _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 4.10555042 1 Ge Ge1 1 1.61082873 1.75577498 4.89125933 1 Ge Ge2 1 0.00000000 0.00000000 1.43325413 1 Pd Pd3 1 1.61082873 1.75577498 2.39687588 1 [/CIF]
CoGe2Pd
Pmm2
25
orthorhombic
mm2
8,886.601426
false
[CIF] data_RuRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06022938 _cell_length_b 6.06022938 _cell_length_c 6.06022938 _cell_angle_alpha 154.12328037 _cell_angle_beta 154.12328037 _cell_angle_gamma 36.92044375 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuRh2 _chemical_formula_sum 'Ru1 Rh2' _cell_volume 42.33534368 _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 0.00000000 -0.00000000 3.87678064 1 Rh Rh1 1 0.00000000 0.00000000 7.62000438 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Rh2Ru
I4/mmm
139
tetragonal
4/mmm
12,036.937581
false
[CIF] data_B5W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79422660 _cell_length_b 2.79422660 _cell_length_c 6.14456501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B5W _chemical_formula_sum 'B5 W1' _cell_volume 47.97493431 _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 1.69507620 1 B B1 1 0.00000000 0.00000000 4.44948881 1 B B2 1 1.39711330 1.39711330 0.83589649 1 B B3 1 1.39711330 1.39711330 5.30866852 1 B B4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 1.39711330 1.39711330 3.07228250 1 [/CIF]
B5W
P4/mmm
123
tetragonal
4/mmm
8,234.173676
false
[CIF] data_KV2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58860539 _cell_length_b 4.58860539 _cell_length_c 4.27011658 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KV2Sb _chemical_formula_sum 'K1 V2 Sb1' _cell_volume 89.90858298 _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 0.00000000 1 Sb Sb1 1 2.29430269 2.29430269 0.00000000 1 V V2 1 2.29430269 0.00000000 2.13505829 1 V V3 1 0.00000000 2.29430269 2.13505829 1 [/CIF]
KSbV2
P4/mmm
123
tetragonal
4/mmm
4,852.624778
false
[CIF] data_La2BeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80088056 _cell_length_b 3.80088056 _cell_length_c 6.88967119 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BeAs _chemical_formula_sum 'La2 Be1 As1' _cell_volume 99.53296465 _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 As As0 1 0.00000000 0.00000000 3.44483559 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 1.90044028 1.90044028 1.73739257 1 La La3 1 1.90044028 1.90044028 5.15227862 1 [/CIF]
AsBeLa2
P4/mmm
123
tetragonal
4/mmm
6,035.109268
false
[CIF] data_LiBC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74900178 _cell_length_b 2.74900178 _cell_length_c 7.01983827 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBC _chemical_formula_sum 'Li2 B2 C2' _cell_volume 45.94177600 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 0.00000000 0.00000000 3.50991914 1 B B2 1 -0.00000000 1.58713692 1.75495957 1 B B3 1 1.37450089 0.79356846 5.26487870 1 C C4 1 -0.00000000 1.58713692 5.26487870 1 C C5 1 1.37450089 0.79356846 1.75495957 1 [/CIF]
C2B2Li2
P6_3/mmc
194
hexagonal
6/mmm
2,151.312861
false
[CIF] data_LuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20129662 _cell_length_b 3.20129662 _cell_length_c 4.30278200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuOs _chemical_formula_sum 'Lu1 Os1' _cell_volume 38.18843016 _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 Lu Lu0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.60064831 0.92413473 2.15139100 1 [/CIF]
LuOs
P-6m2
187
hexagonal
-6m2
15,879.786222
false
[CIF] data_PPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56339208 _cell_length_b 3.56339208 _cell_length_c 7.38191615 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PPbAu2 _chemical_formula_sum 'P1 Pb1 Au2' _cell_volume 93.73382261 _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 0.07830345 1 Au Au1 1 1.78169604 1.78169604 2.76743083 1 P P2 1 0.00000000 0.00000000 2.46046034 1 Pb Pb3 1 1.78169604 1.78169604 5.76667959 1 [/CIF]
Au2PPb
P4mm
99
tetragonal
4mm
11,198.88812
false
[CIF] data_BaMnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86487911 _cell_length_b 4.86487911 _cell_length_c 4.86487911 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnAs _chemical_formula_sum 'Ba1 Mn1 As1' _cell_volume 81.41438769 _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 As As0 1 5.15998352 5.15998352 5.15998352 1 Ba Ba1 1 1.71999450 1.71999450 1.71999451 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsBaMn
F-43m
216
cubic
-43m
5,449.575618
false
[CIF] data_MgPt2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63867842 _cell_length_b 4.63867842 _cell_length_c 2.85290301 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPt2Rh _chemical_formula_sum 'Mg1 Pt2 Rh1' _cell_volume 61.38687688 _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 2.31933921 1.42645150 1 Pt Pt2 1 2.31933921 0.00000000 1.42645150 1 Rh Rh3 1 2.31933921 2.31933921 0.00000000 1 [/CIF]
MgPt2Rh
P4/mmm
123
tetragonal
4/mmm
13,995.291098
false
[CIF] data_BaCaPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70931115 _cell_length_b 3.70931115 _cell_length_c 7.31449703 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaPt2 _chemical_formula_sum 'Ba1 Ca1 Pt2' _cell_volume 100.64008569 _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 3.65724852 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.85465558 1.85465558 1.51073819 1 Pt Pt3 1 1.85465558 1.85465558 5.80375884 1 [/CIF]
BaCaPt2
P4/mmm
123
tetragonal
4/mmm
9,364.828469
false
[CIF] data_BaMnGaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19747469 _cell_length_b 5.19747469 _cell_length_c 5.19747469 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnGaAu _chemical_formula_sum 'Ba1 Mn1 Ga1 Au1' _cell_volume 99.28008771 _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 3.67516960 3.67516960 3.67516960 1 Ba Ba1 1 1.83758480 1.83758480 1.83758480 1 Ga Ga2 1 5.51275440 5.51275440 5.51275440 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBaGaMn
F-43m
216
cubic
-43m
7,676.383895
false
[CIF] data_K3Tc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.47474138 _cell_length_b 11.47474138 _cell_length_c 4.40105875 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Tc5 _chemical_formula_sum 'K6 Tc10' _cell_volume 501.84963201 _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 K K0 1 -2.12015406 3.67221455 3.30079406 1 K K1 1 -3.61721663 6.26520299 1.10026469 1 K K2 1 3.61721663 6.26520299 3.30079406 1 K K3 1 4.24030811 0.00000000 3.30079406 1 K K4 1 7.23443327 0.00000000 1.10026469 1 K K5 1 2.12015406 3.67221455 1.10026469 1 Tc Tc6 1 5.73737069 3.31247251 2.20052937 1 Tc Tc7 1 -0.00000000 6.62494503 0.00000000 1 Tc Tc8 1 0.00000000 6.62494503 2.20052937 1 Tc Tc9 1 5.73737069 3.31247251 0.00000000 1 Tc Tc10 1 -5.01871372 8.69266715 3.30079406 1 Tc Tc11 1 -0.71865697 1.24475039 1.10026469 1 Tc Tc12 1 0.71865697 1.24475039 3.30079406 1 Tc Tc13 1 10.03742744 0.00000000 3.30079406 1 Tc Tc14 1 1.43731394 0.00000000 1.10026469 1 Tc Tc15 1 5.01871372 8.69266715 1.10026469 1 [/CIF]
K6Tc10
P6_3/mcm
193
hexagonal
6/mmm
4,048.865413
false
[CIF] data_Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70791033 _cell_length_b 2.70791033 _cell_length_c 2.70791033 _cell_angle_alpha 67.49660795 _cell_angle_beta 67.49660795 _cell_angle_gamma 67.49660795 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo _chemical_formula_sum Mo1 _cell_volume 16.28557988 _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 [/CIF]
Mo6
R-3m
166
trigonal
-3m
9,784.443045
false
[CIF] data_MnInFe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83166686 _cell_length_b 4.83166686 _cell_length_c 4.83166686 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInFe4 _chemical_formula_sum 'Mn1 In1 Fe4' _cell_volume 79.75831104 _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 Fe Fe0 1 4.27372966 4.27372966 2.55927914 1 Fe Fe1 1 4.27372966 2.55927914 4.27372966 1 Fe Fe2 1 2.55927914 4.27372966 4.27372966 1 Fe Fe3 1 2.55927914 2.55927914 2.55927914 1 In In4 1 5.12475660 5.12475660 5.12475660 1 Mn Mn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe4InMn
F-43m
216
cubic
-43m
8,184.949665
false
[CIF] data_PbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43143454 _cell_length_b 5.43143454 _cell_length_c 5.93065019 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PbSe2 _chemical_formula_sum 'Pb2 Se4' _cell_volume 151.51723594 _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 Pb Pb0 1 2.71571727 1.56792010 1.48266255 1 Pb Pb1 1 0.00000000 3.13584019 4.44798764 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 0.00000000 0.00000000 2.96532509 1 Se Se4 1 2.71571727 1.56792010 4.44798764 1 Se Se5 1 0.00000000 3.13584019 1.48266255 1 [/CIF]
Pb2Se4
P6_3/mmc
194
hexagonal
6/mmm
8,002.997422
false
[CIF] data_KMgCuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79117821 _cell_length_b 4.79117821 _cell_length_c 4.79117821 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgCuOs _chemical_formula_sum 'K1 Mg1 Cu1 Os1' _cell_volume 77.76997801 _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 5.08181190 5.08181190 5.08181190 1 K K1 1 3.38787460 3.38787460 3.38787460 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.69393730 1.69393730 1.69393730 1 [/CIF]
CuKMgOs
F-43m
216
cubic
-43m
6,772.389967
false
[CIF] data_Na2TcBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50780312 _cell_length_b 6.50780312 _cell_length_c 6.50780312 _cell_angle_alpha 141.74759815 _cell_angle_beta 141.74759815 _cell_angle_gamma 55.20918276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TcBr _chemical_formula_sum 'Na2 Tc1 Br1' _cell_volume 104.88148104 _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 5.76699679 1 Na Na1 1 0.00000000 2.13228158 2.88349840 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 2.13228158 -0.00000000 2.88349840 1 [/CIF]
BrNa2Tc
I-4m2
119
tetragonal
-42m
3,558.990004
false
[CIF] data_Sm4GaSbS9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.71531618 _cell_length_b 10.05555720 _cell_length_c 10.05555720 _cell_angle_alpha 88.76976581 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4GaSbS9 _chemical_formula_sum 'Sm16 Ga4 Sb4 S36' _cell_volume 1386.49397434 _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 Ga Ga0 1 1.25957281 1.47555008 4.03071927 1 Ga Ga1 1 5.59808528 1.47555008 11.21699619 1 Ga Ga2 1 8.11723090 -1.47555008 11.21699619 1 Ga Ga3 1 12.45574337 -1.47555008 4.03071927 1 S S4 1 0.00000000 -0.00000000 0.06566274 1 S S5 1 0.00000000 -0.00000000 5.33032102 1 S S6 1 0.11762708 4.28745175 9.88902496 1 S S7 1 0.94985930 -3.57154656 6.22133377 1 S S8 1 1.11063929 -1.29806779 10.85034027 1 S S9 1 1.36969623 1.27809593 8.21773518 1 S S10 1 2.59628124 2.77656939 5.40078857 1 S S11 1 2.73193038 0.18414931 2.78874658 1 S S12 1 3.37156486 -3.29212884 8.96416909 1 S S13 1 3.38652854 -0.82234494 13.48342742 1 S S14 1 3.47112955 -0.82234494 6.29715050 1 S S15 1 3.48609323 3.74148010 8.96416909 1 S S16 1 4.12572771 0.18414931 9.97502350 1 S S17 1 4.26137685 -4.25703955 5.40078857 1 S S18 1 5.48796186 -5.75551301 8.21773518 1 S S19 1 5.74701880 -1.29806779 3.66406335 1 S S20 1 5.90779879 3.46206238 6.22133377 1 S S21 1 6.74003101 -2.74615719 9.88902496 1 S S22 1 6.85765809 -0.00000000 7.25193966 1 S S23 1 6.85765809 0.00000000 12.51659794 1 S S24 1 6.97528517 2.74615719 9.88902496 1 S S25 1 7.80751739 -3.46206238 6.22133377 1 S S26 1 7.96829738 1.29806779 3.66406335 1 S S27 1 8.22735432 5.75551301 8.21773518 1 S S28 1 9.45393933 4.25703955 5.40078857 1 S S29 1 9.58958847 -0.18414931 9.97502350 1 S S30 1 10.22922295 -3.74148010 8.96416909 1 S S31 1 10.24418663 0.82234494 6.29715050 1 S S32 1 10.32878764 0.82234494 13.48342742 1 S S33 1 10.34375132 3.29212884 8.96416909 1 S S34 1 10.98338580 -0.18414931 2.78874658 1 S S35 1 11.11903494 -2.77656939 5.40078857 1 S S36 1 12.34561995 -1.27809593 8.21773518 1 S S37 1 12.60467689 1.29806779 10.85034027 1 S S38 1 12.76545688 3.57154656 6.22133377 1 S S39 1 13.59768910 -4.28745175 9.88902496 1 Sb Sb40 1 1.54763710 1.14040551 10.69025000 1 Sb Sb41 1 5.31002099 1.14040551 3.50397308 1 Sb Sb42 1 8.40529519 -1.14040551 3.50397308 1 Sb Sb43 1 12.16767908 -1.14040551 10.69025000 1 Sm Sm44 1 1.37354818 4.59723433 7.31465674 1 Sm Sm45 1 1.43501721 -1.55881001 8.03044679 1 Sm Sm46 1 2.51372546 -2.33809639 4.17757666 1 Sm Sm47 1 2.56111078 -5.50387777 7.44420562 1 Sm Sm48 1 4.29654731 1.52973117 7.44420562 1 Sm Sm49 1 4.34393263 -2.33809639 11.36385358 1 Sm Sm50 1 5.42264088 5.47479893 8.03044679 1 Sm Sm51 1 5.48410991 -2.43637461 7.31465674 1 Sm Sm52 1 8.23120627 2.43637461 7.31465674 1 Sm Sm53 1 8.29267530 -5.47479893 8.03044679 1 Sm Sm54 1 9.37138355 2.33809639 11.36385358 1 Sm Sm55 1 9.41876887 -1.52973117 7.44420562 1 Sm Sm56 1 11.15420540 5.50387777 7.44420562 1 Sm Sm57 1 11.20159072 2.33809639 4.17757666 1 Sm Sm58 1 12.28029897 1.55881001 8.03044679 1 Sm Sm59 1 12.34176800 -4.59723433 7.31465674 1 [/CIF]
Ga4S36Sb4Sm16
Aea2
41
orthorhombic
mm2
5,181.086447
true
[CIF] data_Mg2AlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52284723 _cell_length_b 4.52284723 _cell_length_c 4.52284723 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AlNi _chemical_formula_sum 'Mg2 Al1 Ni1' _cell_volume 65.42153947 _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 0.00000000 0.00000000 1 Mg Mg1 1 4.79720393 4.79720393 4.79720393 1 Mg Mg2 1 1.59906798 1.59906798 1.59906798 1 Ni Ni3 1 3.19813595 3.19813595 3.19813595 1 [/CIF]
AlMg2Ni
Fm-3m
225
cubic
m-3m
3,408.439918
false
[CIF] data_VGe3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82454915 _cell_length_b 4.82454915 _cell_length_c 4.82454915 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGe3Se _chemical_formula_sum 'V1 Ge3 Se1' _cell_volume 112.29753036 _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 2.41227457 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 2.41227457 1 Ge Ge2 1 2.41227457 0.00000000 0.00000000 1 Se Se3 1 2.41227457 2.41227457 2.41227457 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge3SeV
Pm-3m
221
cubic
m-3m
5,143.222537
false
[CIF] data_NaSbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41752756 _cell_length_b 5.41752756 _cell_length_c 5.41752756 _cell_angle_alpha 137.24485439 _cell_angle_beta 137.24485439 _cell_angle_gamma 62.06153027 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSbW2 _chemical_formula_sum 'Na1 Sb1 W2' _cell_volume 72.41243987 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 -0.00000000 0.00000000 4.64222858 1 W W2 1 0.00000000 1.97475551 2.32111429 1 W W3 1 1.97475551 0.00000000 2.32111429 1 [/CIF]
NaSbW2
I4/mmm
139
tetragonal
4/mmm
11,750.876677
false
[CIF] data_TeMo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24858709 _cell_length_b 3.24858709 _cell_length_c 6.49063924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeMo2Se _chemical_formula_sum 'Te1 Mo2 Se1' _cell_volume 68.49778045 _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 1.62429355 1.62429355 4.96972059 1 Mo Mo1 1 1.62429355 1.62429355 1.52091865 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.24531962 1 [/CIF]
Mo2SeTe
P4/mmm
123
tetragonal
4/mmm
9,660.044749
false
[CIF] data_Ba2HgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19351127 _cell_length_b 4.52914192 _cell_length_c 8.22449496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2HgBi _chemical_formula_sum 'Ba2 Hg1 Bi1' _cell_volume 156.20789605 _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 2.09675564 2.26457096 2.12601402 1 Ba Ba1 1 2.09675564 2.26457096 6.09848094 1 Bi Bi2 1 0.00000000 0.00000000 4.11224748 1 Hg Hg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2BiHg
Pmmm
47
orthorhombic
mmm
7,273.521854
false
[CIF] data_BCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62355444 _cell_length_b 6.62355444 _cell_length_c 7.93598411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BCl3 _chemical_formula_sum 'B2 Cl6' _cell_volume 301.51827635 _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 B B0 1 3.31177722 1.91205547 5.95198808 1 B B1 1 0.00000000 3.82411094 1.98399603 1 Cl Cl2 1 4.13907010 3.45114456 5.95198808 1 Cl Cl3 1 1.56524053 1.85896757 5.95198808 1 Cl Cl4 1 4.23102103 0.42605428 5.95198808 1 Cl Cl5 1 -0.82729288 2.28502185 1.98399603 1 Cl Cl6 1 1.74653669 3.87719883 1.98399603 1 Cl Cl7 1 -0.91924381 5.31011213 1.98399603 1 [/CIF]
B2Cl6
P6_3/m
176
hexagonal
6/m
1,291.633052
false
[CIF] data_HgSbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81878897 _cell_length_b 4.81878897 _cell_length_c 4.81878897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgSbAu _chemical_formula_sum 'Hg1 Sb1 Au1' _cell_volume 79.12226767 _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 5.11109754 5.11109754 5.11109754 1 Hg Hg1 1 1.70369918 1.70369918 1.70369918 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHgSb
F-43m
216
cubic
-43m
10,898.897064
false
[CIF] data_GaBPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91649683 _cell_length_b 4.91649683 _cell_length_c 3.77154116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBPb2 _chemical_formula_sum 'Ga1 B1 Pb2' _cell_volume 91.16547070 _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 Ga Ga1 1 2.45824841 2.45824841 0.00000000 1 Pb Pb2 1 2.45824841 0.00000000 1.88577058 1 Pb Pb3 1 0.00000000 2.45824841 1.88577058 1 [/CIF]
BGaPb2
P4/mmm
123
tetragonal
4/mmm
9,015.005748
false
[CIF] data_BaCaTaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20327855 _cell_length_b 5.20327855 _cell_length_c 5.20327855 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaTaNi _chemical_formula_sum 'Ba1 Ca1 Ta1 Ni1' _cell_volume 99.61304839 _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 1.83963677 1.83963678 1.83963678 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 3.67927355 3.67927355 3.67927355 1 Ta Ta3 1 5.51891033 5.51891033 5.51891033 1 [/CIF]
BaCaNiTa
F-43m
216
cubic
-43m
6,952.117737
false
[CIF] data_BaTiBeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81535212 _cell_length_b 4.81535212 _cell_length_c 4.81535212 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiBeTc _chemical_formula_sum 'Ba1 Ti1 Be1 Tc1' _cell_volume 78.95309396 _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 1.70248407 1.70248407 1.70248407 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 3.40496814 3.40496814 3.40496814 1 Ti Ti3 1 5.10745221 5.10745221 5.10745221 1 [/CIF]
BaBeTcTi
F-43m
216
cubic
-43m
6,164.730688
false
[CIF] data_KAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.39048141 _cell_length_b 9.39048141 _cell_length_c 9.39048141 _cell_angle_alpha 28.56739178 _cell_angle_beta 28.56739178 _cell_angle_gamma 28.56739178 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAs _chemical_formula_sum 'K2 As2' _cell_volume 167.37615347 _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 As As0 1 -0.00000000 -0.00000000 18.07937430 1 As As1 1 -0.00000000 0.00000000 8.92463898 1 K K2 1 0.00000000 0.00000000 2.26162743 1 K K3 1 0.00000000 -0.00000000 24.74238585 1 [/CIF]
As2K2
R-3m
166
trigonal
-3m
2,262.383194
false
[CIF] data_HfMn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42019656 _cell_length_b 4.42019656 _cell_length_c 4.42019656 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMn2Pd _chemical_formula_sum 'Hf1 Mn2 Pd1' _cell_volume 61.06744475 _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 3.12555096 3.12555096 3.12555096 1 Mn Mn1 1 1.56277548 1.56277548 1.56277548 1 Mn Mn2 1 4.68832644 4.68832644 4.68832644 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfMn2Pd
Fm-3m
225
cubic
m-3m
10,734.97881
false
[CIF] data_Cr2PBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59096381 _cell_length_b 4.59096381 _cell_length_c 4.59096381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2PBr _chemical_formula_sum 'Cr2 P1 Br1' _cell_volume 68.42213305 _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 3.24630164 3.24630164 3.24630164 1 Cr Cr1 1 1.62315082 1.62315082 1.62315082 1 Cr Cr2 1 4.86945246 4.86945246 4.86945246 1 P P3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
BrCr2P
Fm-3m
225
cubic
m-3m
5,214.686392
false
[CIF] data_BeRePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41008702 _cell_length_b 5.41008702 _cell_length_c 5.41008702 _cell_angle_alpha 134.59088536 _cell_angle_beta 134.59088536 _cell_angle_gamma 66.16654018 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeRePb2 _chemical_formula_sum 'Be1 Re1 Pb2' _cell_volume 79.06456771 _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 Pb Pb1 1 2.08818225 -0.00000000 2.26649682 1 Pb Pb2 1 0.00000000 -0.00000000 4.53299364 1 Re Re3 1 -0.00000000 2.08818225 2.26649682 1 [/CIF]
BePb2Re
I-4m2
119
tetragonal
-42m
12,803.41494
false
[CIF] data_AlRe3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80440199 _cell_length_b 4.80440199 _cell_length_c 4.80440199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRe3Te _chemical_formula_sum 'Al1 Re3 Te1' _cell_volume 110.89654467 _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 Re Re0 1 2.40220099 0.00000000 2.40220099 1 Re Re1 1 2.40220099 2.40220099 0.00000000 1 Re Re2 1 0.00000000 2.40220099 2.40220099 1 Te Te3 1 2.40220099 2.40220099 2.40220099 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlRe3Te
Pm-3m
221
cubic
m-3m
10,679.32893
false
[CIF] data_Sc2CoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71952265 _cell_length_b 4.71952265 _cell_length_c 4.71952265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CoBr _chemical_formula_sum 'Sc2 Co1 Br1' _cell_volume 74.33258333 _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 1.66860324 1.66860323 1.66860324 1 Co Co1 1 3.33720647 3.33720647 3.33720647 1 Sc Sc2 1 5.00580971 5.00580971 5.00580971 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCoSc2
F-43m
216
cubic
-43m
5,110.096616
false
[CIF] data_TlVBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40079348 _cell_length_b 3.55939977 _cell_length_c 8.54000151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVBi2 _chemical_formula_sum 'Tl1 V1 Bi2' _cell_volume 103.37486963 _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 1.70039674 1.77969989 1.65881630 1 Bi Bi1 1 1.70039674 1.77969989 6.88118521 1 Tl Tl2 1 0.00000000 0.00000000 4.27000075 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2TlV
Pmmm
47
orthorhombic
mmm
10,815.172448
false
[CIF] data_NbSbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07986145 _cell_length_b 3.07986145 _cell_length_c 7.03281902 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSbRu2 _chemical_formula_sum 'Nb1 Sb1 Ru2' _cell_volume 66.71013220 _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 0.00000000 1 Ru Ru1 1 1.53993073 1.53993073 1.75262421 1 Ru Ru2 1 1.53993073 1.53993073 5.28019481 1 Sb Sb3 1 0.00000000 0.00000000 3.51640951 1 [/CIF]
NbRu2Sb
P4/mmm
123
tetragonal
4/mmm
10,375.084779
false
[CIF] data_CoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12961180 _cell_length_b 4.12961180 _cell_length_c 5.02293409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoP2 _chemical_formula_sum 'Co2 P4' _cell_volume 74.18337142 _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 Co Co0 1 2.06480590 1.19211624 1.25573352 1 Co Co1 1 -0.00000000 2.38423248 3.76720057 1 P P2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 0.00000000 0.00000000 2.51146704 1 P P4 1 2.06480590 1.19211624 3.76720057 1 P P5 1 -0.00000000 2.38423248 1.25573352 1 [/CIF]
Co2P4
P6_3/mmc
194
hexagonal
6/mmm
5,411.648259
false
[CIF] data_Nb2SiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46846709 _cell_length_b 3.46846709 _cell_length_c 6.55380606 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2SiBi _chemical_formula_sum 'Nb2 Si1 Bi1' _cell_volume 78.84401658 _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 1.73423354 1.73423354 4.99516293 1 Nb Nb1 1 0.00000000 0.00000000 0.19355788 1 Nb Nb2 1 1.73423354 1.73423354 1.83245787 1 Si Si3 1 0.00000000 0.00000000 2.80953041 1 [/CIF]
BiNb2Si
P4mm
99
tetragonal
4mm
8,906.456163
false
[CIF] data_V2AgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42325605 _cell_length_b 4.42325605 _cell_length_c 4.42325605 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2AgGe _chemical_formula_sum 'V2 Ag1 Ge1' _cell_volume 61.19433838 _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 1.56385717 1.56385718 1.56385718 1 Ge Ge1 1 3.12771435 3.12771435 3.12771435 1 V V2 1 4.69157153 4.69157153 4.69157153 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGeV2
F-43m
216
cubic
-43m
7,662.826858
false
[CIF] data_Zr2TaTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34944403 _cell_length_b 4.34944403 _cell_length_c 4.34322782 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TaTi _chemical_formula_sum 'Zr2 Ta1 Ti1' _cell_volume 82.16372184 _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 Ta Ta0 1 2.17472201 2.17472201 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.17472201 2.17161391 1 Zr Zr3 1 2.17472201 0.00000000 2.17161391 1 [/CIF]
TaTiZr2
P4/mmm
123
tetragonal
4/mmm
8,311.674101
false
[CIF] data_TaNi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17009768 _cell_length_b 5.17009768 _cell_length_c 5.17009768 _cell_angle_alpha 146.96224231 _cell_angle_beta 127.46928066 _cell_angle_gamma 63.47120939 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNi2Br _chemical_formula_sum 'Ta1 Ni2 Br1' _cell_volume 59.15467042 _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 0.00000000 1 Ni Ni1 1 -0.00000000 2.28791870 2.25089589 1 Ni Ni2 1 1.47002038 -0.00000000 2.14619157 1 Ta Ta3 1 -0.00000000 -0.00000000 4.39708746 1 [/CIF]
BrNi2Ta
Immm
71
orthorhombic
mmm
10,617.591141
false
[CIF] data_BeTc2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19398384 _cell_length_b 4.19398384 _cell_length_c 4.19398384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTc2Se _chemical_formula_sum 'Be1 Tc2 Se1' _cell_volume 52.16332409 _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 Se Se1 1 2.96559441 2.96559441 2.96559441 1 Tc Tc2 1 1.48279720 1.48279721 1.48279721 1 Tc Tc3 1 4.44839162 4.44839162 4.44839162 1 [/CIF]
BeSeTc2
Fm-3m
225
cubic
m-3m
9,097.511927
false
[CIF] data_RbC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51018969 _cell_length_b 4.51018969 _cell_length_c 6.23596864 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbC2 _chemical_formula_sum 'Rb1 C2' _cell_volume 126.85089572 _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 0.00000000 1 C C1 1 2.25509484 2.25509484 3.11798432 1 Rb Rb2 1 0.00000000 0.00000000 3.11798432 1 [/CIF]
C2Rb
P4/mmm
123
tetragonal
4/mmm
1,433.266142
false
[CIF] data_BaMg2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80968601 _cell_length_b 3.80968601 _cell_length_c 8.39953847 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg2In _chemical_formula_sum 'Ba1 Mg2 In1' _cell_volume 121.90844444 _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 1.90484301 1.90484301 4.27098052 1 In In1 1 0.00000000 0.00000000 6.76336331 1 Mg Mg2 1 1.90484301 1.90484301 8.35165824 1 Mg Mg3 1 0.00000000 0.00000000 1.61284410 1 [/CIF]
BaInMg2
P4mm
99
tetragonal
4mm
4,096.643422
false
[CIF] data_CuHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38171841 _cell_length_b 4.38171841 _cell_length_c 4.38171841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuHgW _chemical_formula_sum 'Cu1 Hg1 W1' _cell_volume 59.48649692 _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 0.00000000 1 Hg Hg1 1 3.09834280 3.09834280 3.09834280 1 W W2 1 1.54917140 1.54917140 1.54917140 1 [/CIF]
CuHgW
F-43m
216
cubic
-43m
12,505.050514
false
[CIF] data_TlZnPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67659938 _cell_length_b 5.45238362 _cell_length_c 8.77240044 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.71425382 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnPO4 _chemical_formula_sum 'Tl4 Zn4 P4 O16' _cell_volume 414.97377517 _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 O O0 1 4.02397275 5.43718232 0.09923533 1 O O1 1 1.83895142 1.25706002 0.08045043 1 O O2 1 6.81190035 1.50759781 0.40046300 1 O O3 1 5.84043972 3.14013421 2.11119886 1 O O4 1 2.72338637 3.25787947 2.53539498 1 O O5 1 0.25450310 2.80901368 2.80315511 1 O O6 1 1.96912025 1.22383374 3.81778457 1 O O7 1 6.89277064 0.80985726 3.96352466 1 O O8 1 1.67447411 3.53604907 4.80819416 1 O O9 1 6.59812450 3.95002555 4.95393426 1 O O10 1 8.31274165 0.08282187 5.96856371 1 O O11 1 5.84385839 0.53168766 6.23632385 1 O O12 1 2.72680504 0.41394240 6.66051996 1 O O13 1 1.75534441 4.23378962 8.37125582 1 O O14 1 6.72829334 3.98325183 8.69126839 1 O O15 1 4.54327200 2.71099051 8.67248349 1 P P16 1 6.02958249 2.83672460 0.60488685 1 P P17 1 1.63726989 2.70964928 3.49876312 1 P P18 1 6.92997487 5.43584109 5.27295570 1 P P19 1 2.53766227 0.11053279 8.16683197 1 Tl Tl20 1 -0.00095669 0.01755733 1.68380704 1 Tl Tl21 1 4.36831779 0.01969952 2.81449546 1 Tl Tl22 1 4.19892697 2.74589133 5.95722337 1 Tl Tl23 1 8.56820144 2.74374914 7.08791178 1 Zn Zn24 1 2.84675138 2.85441055 0.63969067 1 Zn Zn25 1 7.12293772 2.71817713 3.53693948 1 Zn Zn26 1 1.44430704 5.44436894 5.23477934 1 Zn Zn27 1 5.72049338 0.12821874 8.13202816 1 [/CIF]
O16P4Tl4Zn4
P2_1
4
monoclinic
2
5,838.018607
false
[CIF] data_NbPIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86921190 _cell_length_b 2.86921190 _cell_length_c 6.32466175 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPIr _chemical_formula_sum 'Nb1 P1 Ir1' _cell_volume 45.09134439 _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 1.43460597 0.82827012 6.16777807 1 Nb Nb1 1 0.00000001 1.65654026 2.17116910 1 P P2 1 0.00000000 0.00000000 4.31037633 1 [/CIF]
IrNbP
P3m1
156
trigonal
3m
11,640.629944
false
[CIF] data_Cd4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13341133 _cell_length_b 6.13341133 _cell_length_c 6.13341133 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd4Br _chemical_formula_sum 'Cd4 Br1' _cell_volume 177.61693917 _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 0.00000000 1 Cd Cd1 1 1.77056334 -1.77056334 1.77056334 1 Cd Cd2 1 1.77056334 1.77056334 1.77056334 1 Cd Cd3 1 1.77056334 1.77056334 -1.77056334 1 Cd Cd4 1 -1.77056334 1.77056334 1.77056334 1 [/CIF]
BrCd4
Im-3m
229
cubic
m-3m
4,950.739191
false
[CIF] data_BaGeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67241600 _cell_length_b 3.67241600 _cell_length_c 7.37546359 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.53216499 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGeAu2 _chemical_formula_sum 'Ba1 Ge1 Au2' _cell_volume 99.43465354 _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 2.56183837 0.00000000 1.44054280 1 Au Au1 1 2.56183837 0.00000000 5.93492079 1 Ba Ba2 1 0.00000000 0.00000000 3.68773179 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BaGe
Cmmm
65
orthorhombic
mmm
10,085.012979
false
[CIF] data_KCa2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51770255 _cell_length_b 5.51770255 _cell_length_c 5.46643044 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2Mg _chemical_formula_sum 'K1 Ca2 Mg1' _cell_volume 166.42570122 _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 2.75885128 2.73321522 1 Ca Ca1 1 2.75885128 0.00000000 2.73321522 1 K K2 1 2.75885128 2.75885128 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2KMg
P4/mmm
123
tetragonal
4/mmm
1,432.385889
false
[CIF] data_LaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.14021513 _cell_length_b 8.57610594 _cell_length_c 6.95084289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCo _chemical_formula_sum 'La12 Co12' _cell_volume 544.85887222 _cell_formula_units_Z 12 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 7.75118249 1.20147822 1.73771072 1 Co Co1 1 1.38903264 7.37462772 5.21313217 1 Co Co2 1 1.38903264 5.48953119 1.73771072 1 Co Co3 1 7.75118249 3.08657475 5.21313217 1 Co Co4 1 5.37192343 4.89042845 1.73771072 1 Co Co5 1 3.76829170 3.68567749 5.21313217 1 Co Co6 1 3.76829170 0.60237548 1.73771072 1 Co Co7 1 5.37192343 7.97373046 5.21313217 1 Co Co8 1 0.31058899 6.43207946 0.00000000 1 Co Co9 1 8.82962614 2.14402648 3.47542144 1 Co Co10 1 8.82962614 2.14402648 0.00000000 1 Co Co11 1 0.31058899 6.43207946 3.47542144 1 La La12 1 8.01602790 4.20097119 1.73771072 1 La La13 1 1.12418723 4.37513475 5.21313217 1 La La14 1 1.12418723 8.48902416 1.73771072 1 La La15 1 8.01602790 0.08708178 5.21313217 1 La La16 1 6.68113403 7.50802193 1.73771072 1 La La17 1 2.45908110 1.06808401 5.21313217 1 La La18 1 2.45908110 3.21996896 1.73771072 1 La La19 1 6.68113403 5.35613698 5.21313217 1 La La20 1 3.68831207 6.43207946 0.00000000 1 La La21 1 5.45190306 2.14402648 3.47542144 1 La La22 1 5.45190306 2.14402648 0.00000000 1 La La23 1 3.68831207 6.43207946 3.47542144 1 [/CIF]
Co12La12
Pbcm
57
orthorhombic
mmm
7,235.31576
false
[CIF] data_NaYMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13734186 _cell_length_b 5.13734186 _cell_length_c 5.13734186 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYMg _chemical_formula_sum 'Na1 Y1 Mg1' _cell_volume 95.87390190 _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 5.44897391 5.44897390 5.44897390 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.81632463 1.81632464 1.81632464 1 [/CIF]
MgNaY
F-43m
216
cubic
-43m
2,358.99911
false
[CIF] data_ZnPdPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41548645 _cell_length_b 4.41548645 _cell_length_c 4.41548645 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPdPtW _chemical_formula_sum 'Zn1 Pd1 Pt1 W1' _cell_volume 60.87243447 _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 4.68333062 4.68333062 4.68333062 1 Pt Pt1 1 3.12222041 3.12222041 3.12222041 1 W W2 1 1.56111021 1.56111020 1.56111021 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdPtWZn
F-43m
216
cubic
-43m
15,023.199333
false
[CIF] data_BeTcTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22496634 _cell_length_b 3.22496634 _cell_length_c 8.14840629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTcTe2 _chemical_formula_sum 'Be1 Tc1 Te2' _cell_volume 84.74674910 _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 4.57682422 1 Tc Tc1 1 1.61248317 1.61248317 5.63649333 1 Te Te2 1 0.00000000 0.00000000 7.23286904 1 Te Te3 1 1.61248317 1.61248317 2.92482904 1 [/CIF]
BeTcTe2
P4mm
99
tetragonal
4mm
7,114.989843
false
[CIF] data_AlTlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52784989 _cell_length_b 6.50575830 _cell_length_c 3.07803055 _cell_angle_alpha 76.73986057 _cell_angle_beta 75.94067202 _cell_angle_gamma 27.31946741 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlCu _chemical_formula_sum 'Al1 Tl1 Cu1' _cell_volume 58.16992567 _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 2.14316809 2.20932175 11.86300056 1 Cu Cu1 1 2.14316809 2.20932175 4.40970840 1 Tl Tl2 1 2.14316809 2.20932175 8.29775188 1 [/CIF]
AlCuTl
Fmm2
42
orthorhombic
mm2
8,418.628062
false
[CIF] data_LaHfCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35451121 _cell_length_b 3.35451121 _cell_length_c 9.01967584 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfCd2 _chemical_formula_sum 'La1 Hf1 Cd2' _cell_volume 101.49611634 _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 1.67725561 1.67725561 0.27780926 1 Cd Cd1 1 0.00000000 0.00000000 2.26202692 1 Hf Hf2 1 1.67725561 1.67725561 4.26088143 1 La La3 1 0.00000000 0.00000000 6.72879615 1 [/CIF]
Cd2HfLa
P4mm
99
tetragonal
4mm
8,871.012251
false
[CIF] data_Y3AgO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.20109897 _cell_length_b 10.20109897 _cell_length_c 10.20109897 _cell_angle_alpha 42.02895266 _cell_angle_beta 42.02895266 _cell_angle_gamma 42.02895266 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3AgO5 _chemical_formula_sum 'Y9 Ag3 O15' _cell_volume 430.44480197 _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 Y Y0 1 1.77768696 -1.02634804 9.41295600 1 Y Y1 1 -0.00000000 2.05269609 9.41295600 1 Y Y2 1 -1.77768696 -1.02634804 9.41295600 1 Y Y3 1 -1.66771598 0.96285627 12.38313312 1 Y Y4 1 0.00000000 -1.92571255 12.38313312 1 Y Y5 1 1.66771598 0.96285627 12.38313312 1 Y Y6 1 1.66553249 -0.96159563 15.53107030 1 Y Y7 1 0.00000000 1.92319126 15.53107030 1 Y Y8 1 -1.66553249 -0.96159563 15.53107030 1 Ag Ag9 1 0.00000000 0.00000000 0.51756838 1 Ag Ag10 1 0.00000000 0.00000000 6.24766551 1 Ag Ag11 1 -0.00000000 -0.00000000 22.30295796 1 O O12 1 -0.00000000 -0.00000000 2.80356582 1 O O13 1 -0.00000000 0.00000000 8.39473214 1 O O14 1 0.00000000 -0.00000000 24.56820055 1 O O15 1 -0.00000000 -0.00000000 10.73119787 1 O O16 1 0.00000000 0.00000000 13.48008676 1 O O17 1 0.00000000 0.00000000 16.54884243 1 O O18 1 1.85165070 -1.06905103 18.06725230 1 O O19 1 0.00000000 2.13810206 18.06725230 1 O O20 1 -1.85165070 -1.06905103 18.06725230 1 O O21 1 -1.88496535 1.08828525 14.67514790 1 O O22 1 0.00000000 -2.17657051 14.67514790 1 O O23 1 1.88496535 1.08828525 14.67514790 1 O O24 1 2.04055560 -1.17811532 11.65459460 1 O O25 1 0.00000000 2.35623065 11.65459460 1 O O26 1 -2.04055560 -1.17811532 11.65459460 1 [/CIF]
Ag3O15Y9
R3m
160
trigonal
3m
5,260.970194
false
[CIF] data_MgRe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43325051 _cell_length_b 4.43325051 _cell_length_c 4.43325051 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRe2Pd _chemical_formula_sum 'Mg1 Re2 Pd1' _cell_volume 61.61008685 _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 Pd Pd1 1 3.13478150 3.13478150 3.13478150 1 Re Re2 1 4.70217225 4.70217225 4.70217225 1 Re Re3 1 1.56739075 1.56739075 1.56739075 1 [/CIF]
MgPdRe2
Fm-3m
225
cubic
m-3m
13,560.798373
false
[CIF] data_YTl2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99803392 _cell_length_b 6.99803392 _cell_length_c 6.99803392 _cell_angle_alpha 152.52796945 _cell_angle_beta 140.73219772 _cell_angle_gamma 48.59081132 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTl2Re _chemical_formula_sum 'Y1 Tl2 Re1' _cell_volume 99.68623805 _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 Re Re0 1 -0.00000000 2.35140177 3.16984183 1 Tl Tl1 1 -0.00000000 -0.00000000 11.97836253 1 Tl Tl2 1 1.66167476 -0.00000000 3.15097736 1 Y Y3 1 0.00000000 0.00000000 7.21386605 1 [/CIF]
ReTl2Y
Imm2
44
orthorhombic
mm2
11,391.903839
false
[CIF] data_NaCoCuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36903004 _cell_length_b 4.36903004 _cell_length_c 4.36903004 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCoCuPd _chemical_formula_sum 'Na1 Co1 Cu1 Pd1' _cell_volume 58.97121763 _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 3.08937077 3.08937077 3.08937077 1 Cu Cu1 1 1.54468538 1.54468539 1.54468538 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 4.63405615 4.63405615 4.63405615 1 [/CIF]
CoCuNaPd
F-43m
216
cubic
-43m
7,092.807007
false
[CIF] data_CdSnOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02978471 _cell_length_b 9.02978471 _cell_length_c 9.02978471 _cell_angle_alpha 19.20888885 _cell_angle_beta 19.20888885 _cell_angle_gamma 19.20888885 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSnOs2 _chemical_formula_sum 'Cd1 Sn1 Os2' _cell_volume 69.66863247 _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 -0.00000000 1 Os Os1 1 -0.00000000 -0.00000000 6.53515311 1 Os Os2 1 0.00000000 0.00000000 20.04671731 1 Sn Sn3 1 0.00000000 0.00000000 13.29093521 1 [/CIF]
CdOs2Sn
R-3m
166
trigonal
-3m
14,576.920844
false