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_TiMo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10242870 _cell_length_b 5.10242870 _cell_length_c 5.10242870 _cell_angle_alpha 142.46314725 _cell_angle_beta 127.38607405 _cell_angle_gamma 66.41279681 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMo2Pd _chemical_formula_sum 'Ti1 Mo2 Pd1' _cell_volume 63.39470036 _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 1.64167573 0.00000000 0.04545496 1 Mo Mo1 1 0.00000000 -0.00000000 2.00830728 1 Pd Pd2 1 -0.00000000 2.26129504 0.00802519 1 Ti Ti3 1 0.00000000 0.00000000 6.47664901 1 [/CIF]
Mo2PdTi
Imm2
44
orthorhombic
mm2
9,068.427571
false
[CIF] data_Rb2Ti6O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13666746 _cell_length_b 8.13666746 _cell_length_c 9.13323894 _cell_angle_alpha 100.01428300 _cell_angle_beta 100.01428300 _cell_angle_gamma 27.25473563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2Ti6O13 _chemical_formula_sum 'Rb2 Ti6 O13' _cell_volume 272.43793497 _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 O O1 1 1.17480358 0.00000000 8.24888194 1 O O2 1 4.21866765 -0.00000000 7.97966984 1 O O3 1 10.79203902 -0.00000000 6.81512769 1 O O4 1 13.40499600 0.00000000 6.38221078 1 O O5 1 1.13741355 -0.00000000 5.52574360 1 O O6 1 3.75521655 0.00000000 5.14963995 1 O O7 1 10.42578274 0.00000000 3.83620364 1 O O8 1 13.04358574 0.00000000 3.46009999 1 O O9 1 0.77600329 -0.00000000 2.60363281 1 O O10 1 3.38896026 -0.00000000 2.17071590 1 O O11 1 9.96233164 0.00000000 1.00617375 1 O O12 1 13.00619570 -0.00000000 0.73696165 1 Rb Rb13 1 7.39235534 -0.00000000 6.72397251 1 Rb Rb14 1 6.78864395 0.00000000 2.26187108 1 Ti Ti15 1 12.51224752 0.00000000 8.12978411 1 Ti Ti16 1 2.43407848 0.00000000 6.97389730 1 Ti Ti17 1 12.15219418 0.00000000 5.06366574 1 Ti Ti18 1 2.02880511 0.00000000 3.92217785 1 Ti Ti19 1 11.74692081 -0.00000000 2.01194628 1 Ti Ti20 1 1.66875177 -0.00000000 0.85605948 1 [/CIF]
O13Rb2Ti6
C2/m
12
monoclinic
2/m
4,060.134124
false
[CIF] data_TiHg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38755263 _cell_length_b 4.13266008 _cell_length_c 6.62348862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiHg2Pb _chemical_formula_sum 'Ti1 Hg2 Pb1' _cell_volume 92.72621462 _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 1.69377632 2.06633004 6.53869207 1 Hg Hg1 1 0.00000000 0.00000000 1.49710243 1 Pb Pb2 1 1.69377632 2.06633004 3.49024322 1 Ti Ti3 1 0.00000000 0.00000000 5.03268383 1 [/CIF]
Hg2PbTi
Pmm2
25
orthorhombic
mm2
11,752.057229
false
[CIF] data_MnVGaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19807866 _cell_length_b 4.19807866 _cell_length_c 4.19807866 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVGaRu _chemical_formula_sum 'Mn1 V1 Ga1 Ru1' _cell_volume 52.31626345 _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 2.96848989 2.96848989 2.96848989 1 Mn Mn1 1 1.48424495 1.48424495 1.48424495 1 Ru Ru2 1 4.45273484 4.45273484 4.45273484 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaMnRuV
F-43m
216
cubic
-43m
8,781.69692
false
[CIF] data_ZrAsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99638380 _cell_length_b 4.99638380 _cell_length_c 3.45273541 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.38575601 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAsAu2 _chemical_formula_sum 'Zr1 As1 Au2' _cell_volume 79.11305760 _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 0.00000000 1 Au Au1 1 1.37182389 2.08783668 1.72636770 1 Au Au2 1 1.37182389 -2.08783668 1.72636770 1 Zr Zr3 1 2.74364778 -0.00000000 0.00000000 1 [/CIF]
AsAu2Zr
Cmmm
65
orthorhombic
mmm
11,755.741127
false
[CIF] data_ZrTlCdNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78715352 _cell_length_b 4.78715352 _cell_length_c 4.78715352 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTlCdNi _chemical_formula_sum 'Zr1 Tl1 Cd1 Ni1' _cell_volume 77.57415775 _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 1.69251436 1.69251436 1.69251436 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.38502872 3.38502872 3.38502872 1 Zr Zr3 1 5.07754308 5.07754308 5.07754308 1 [/CIF]
CdNiTlZr
F-43m
216
cubic
-43m
9,990.350307
false
[CIF] data_CrMo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78036335 _cell_length_b 4.78036335 _cell_length_c 4.89757620 _cell_angle_alpha 97.94189271 _cell_angle_beta 97.94189271 _cell_angle_gamma 32.48011152 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrMo2Pt _chemical_formula_sum 'Cr1 Mo2 Pt1' _cell_volume 59.47553991 _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 6.77345583 -0.00000000 1.22340139 1 Mo Mo1 1 0.03083524 -0.00000000 0.04677852 1 Mo Mo2 1 1.71483175 -0.00000000 3.60241533 1 Pt Pt3 1 4.19251224 -0.00000000 2.39729801 1 [/CIF]
CrMo2Pt
Cm
8
monoclinic
m
12,256.749873
false
[CIF] data_MnCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73482197 _cell_length_b 3.04269770 _cell_length_c 4.93271445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCd _chemical_formula_sum 'Mn2 Cd2' _cell_volume 71.06380144 _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 Cd Cd0 1 3.55111648 1.52134885 3.39825970 1 Cd Cd1 1 1.18370549 1.52134885 1.53445475 1 Mn Mn2 1 3.55111648 0.00000000 0.88527969 1 Mn Mn3 1 1.18370549 0.00000000 4.04743476 1 [/CIF]
Cd2Mn2
Pmma
51
orthorhombic
mmm
7,820.848909
false
[CIF] data_SrSc2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82541647 _cell_length_b 5.27192354 _cell_length_c 5.29733797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSc2Cr _chemical_formula_sum 'Sr1 Sc2 Cr1' _cell_volume 106.83302067 _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 1.91270824 0.00000000 2.64866898 1 Sc Sc1 1 1.91270824 2.63596177 0.00000000 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 2.63596177 2.64866898 1 [/CIF]
CrSc2Sr
Pmmm
47
orthorhombic
mmm
3,567.624338
false
[CIF] data_LiMgBeAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41497399 _cell_length_b 4.41497399 _cell_length_c 4.41497399 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgBeAl _chemical_formula_sum 'Li1 Mg1 Be1 Al1' _cell_volume 60.85124265 _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 3.12185805 3.12185805 3.12185805 1 Be Be1 1 1.56092903 1.56092903 1.56092903 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 4.68278708 4.68278708 4.68278708 1 [/CIF]
AlBeLiMg
F-43m
216
cubic
-43m
1,834.87104
false
[CIF] data_AlNiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15613837 _cell_length_b 5.15613837 _cell_length_c 5.15613837 _cell_angle_alpha 147.41557116 _cell_angle_beta 147.41557116 _cell_angle_gamma 46.74885287 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNiPt _chemical_formula_sum 'Al1 Ni1 Pt1' _cell_volume 39.61158114 _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 9.38149435 1 Ni Ni1 1 0.00000000 -0.00000000 3.30469848 1 Pt Pt2 1 0.00000000 0.00000000 6.24574065 1 [/CIF]
AlNiPt
I4mm
107
tetragonal
4mm
11,769.567698
false
[CIF] data_La2AgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77218150 _cell_length_b 3.77218150 _cell_length_c 8.20950558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AgSn _chemical_formula_sum 'La2 Ag1 Sn1' _cell_volume 116.81595506 _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 La La1 1 1.88609075 1.88609075 1.98176348 1 La La2 1 1.88609075 1.88609075 6.22774210 1 Sn Sn3 1 0.00000000 0.00000000 4.10475279 1 [/CIF]
AgLa2Sn
P4/mmm
123
tetragonal
4/mmm
7,169.892771
false
[CIF] data_CaMnAlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45906840 _cell_length_b 4.45906840 _cell_length_c 4.45906840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnAlCr _chemical_formula_sum 'Ca1 Mn1 Al1 Cr1' _cell_volume 62.69276200 _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 Ca Ca1 1 1.57651875 1.57651875 1.57651875 1 Cr Cr2 1 4.72955625 4.72955625 4.72955625 1 Mn Mn3 1 3.15303750 3.15303750 3.15303750 1 [/CIF]
AlCaCrMn
F-43m
216
cubic
-43m
4,608.559262
false
[CIF] data_Li4TePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14548090 _cell_length_b 5.14548090 _cell_length_c 5.14548090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4TePd _chemical_formula_sum 'Li4 Te1 Pd1' _cell_volume 96.33030040 _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 2.72346072 2.72346072 4.55334816 1 Li Li1 1 2.72346072 4.55334816 2.72346072 1 Li Li2 1 4.55334816 2.72346072 2.72346072 1 Li Li3 1 4.55334816 4.55334816 4.55334816 1 Pd Pd4 1 0.00000000 0.00000000 0.00000000 1 Te Te5 1 1.81920222 1.81920222 1.81920222 1 [/CIF]
Li4PdTe
F-43m
216
cubic
-43m
4,512.625386
false
[CIF] data_BaSbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51184326 _cell_length_b 4.51184326 _cell_length_c 5.11717169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSbRu _chemical_formula_sum 'Ba1 Sb1 Ru1' _cell_volume 90.21289669 _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 -0.00000002 2.60491393 2.55858585 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 2.25592161 1.30245697 0.00000000 1 [/CIF]
BaRuSb
P-6m2
187
hexagonal
-6m2
6,629.371082
false
[CIF] data_Al3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91558790 _cell_length_b 4.91558790 _cell_length_c 4.91558790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3Au _chemical_formula_sum 'Al3 Au1' _cell_volume 118.77537207 _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 2.45779395 0.00000000 0.00000000 1 Al Al1 1 0.00000000 2.45779395 0.00000000 1 Al Al2 1 0.00000000 0.00000000 2.45779395 1 Au Au3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al3Au
Pm-3m
221
cubic
m-3m
3,885.337266
false
[CIF] data_BaHfMgAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34863149 _cell_length_b 5.34863149 _cell_length_c 5.34863149 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfMgAg _chemical_formula_sum 'Ba1 Hf1 Mg1 Ag1' _cell_volume 108.19645561 _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 5.67308040 5.67308040 5.67308040 1 Ba Ba1 1 3.78205360 3.78205360 3.78205360 1 Hf Hf2 1 1.89102680 1.89102680 1.89102680 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBaHfMg
F-43m
216
cubic
-43m
6,875.504603
false
[CIF] data_Zn2AgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89608598 _cell_length_b 4.89608598 _cell_length_c 4.83583823 _cell_angle_alpha 98.39232689 _cell_angle_beta 98.39232689 _cell_angle_gamma 34.09231570 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2AgP _chemical_formula_sum 'Zn2 Ag1 P1' _cell_volume 64.21652046 _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 4.31188348 -0.00000000 2.38957927 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 6.83064505 -0.00000000 1.17580400 1 Zn Zn3 1 1.79312190 -0.00000000 3.60335455 1 [/CIF]
AgPZn2
C2/m
12
monoclinic
2/m
6,971.486265
false
[CIF] data_CaNbSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78634213 _cell_length_b 4.78634213 _cell_length_c 4.78634213 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbSnRh _chemical_formula_sum 'Ca1 Nb1 Sn1 Rh1' _cell_volume 77.53471951 _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 Nb Nb1 1 5.07668247 5.07668247 5.07668247 1 Rh Rh2 1 3.38445498 3.38445498 3.38445498 1 Sn Sn3 1 1.69222749 1.69222749 1.69222749 1 [/CIF]
CaNbRhSn
F-43m
216
cubic
-43m
7,594.364918
false
[CIF] data_Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.36393706 _cell_length_b 2.36393706 _cell_length_c 2.36393706 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co _chemical_formula_sum Co1 _cell_volume 10.16917776 _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 [/CIF]
Co
Im-3m
229
cubic
m-3m
9,623.282721
false
[CIF] data_KBeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46108030 _cell_length_b 4.46108030 _cell_length_c 4.46108030 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBeOs2 _chemical_formula_sum 'K1 Be1 Os2' _cell_volume 62.77765999 _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 K K1 1 4.73169020 4.73169020 4.73169020 1 Os Os2 1 3.15446013 3.15446013 3.15446013 1 Os Os3 1 1.57723007 1.57723007 1.57723007 1 [/CIF]
BeKOs2
F-43m
216
cubic
-43m
11,336.166851
false
[CIF] data_KSrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60211492 _cell_length_b 4.60211492 _cell_length_c 4.60211492 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrO3 _chemical_formula_sum 'K1 Sr1 O3' _cell_volume 97.47031686 _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 O O1 1 2.30105746 0.00000000 0.00000000 1 O O2 1 0.00000000 2.30105746 0.00000000 1 O O3 1 0.00000000 0.00000000 2.30105746 1 Sr Sr4 1 2.30105746 2.30105746 2.30105746 1 [/CIF]
KO3Sr
Pm-3m
221
cubic
m-3m
2,976.532581
false
[CIF] data_CaLaAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99731037 _cell_length_b 4.99731037 _cell_length_c 4.99731037 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaAgOs _chemical_formula_sum 'Ca1 La1 Ag1 Os1' _cell_volume 88.24578517 _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 1.76681603 1.76681603 1.76681603 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.30044808 5.30044808 5.30044808 1 Os Os3 1 3.53363205 3.53363205 3.53363205 1 [/CIF]
AgCaLaOs
F-43m
216
cubic
-43m
8,977.343784
false
[CIF] data_NaHg2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70313344 _cell_length_b 5.70313344 _cell_length_c 5.70313344 _cell_angle_alpha 135.97037845 _cell_angle_beta 135.97037845 _cell_angle_gamma 64.02613391 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHg2P _chemical_formula_sum 'Na1 Hg2 P1' _cell_volume 88.40269798 _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 0.00000000 -0.00000000 4.83584208 1 Hg Hg1 1 -0.00000000 2.13779821 2.41792104 1 Na Na2 1 -0.00000000 -0.00000000 0.00000000 1 P P3 1 2.13779821 0.00000000 2.41792104 1 [/CIF]
Hg2NaP
I-4m2
119
tetragonal
-42m
8,549.327474
false
[CIF] data_AlB2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12250524 _cell_length_b 4.12250524 _cell_length_c 4.12250524 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlB2Se _chemical_formula_sum 'Al1 B2 Se1' _cell_volume 49.54144285 _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 B B1 1 4.37257711 4.37257711 4.37257712 1 B B2 1 1.45752570 1.45752570 1.45752571 1 Se Se3 1 2.91505141 2.91505141 2.91505141 1 [/CIF]
AlB2Se
Fm-3m
225
cubic
m-3m
4,275.697823
false
[CIF] data_KY2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17550122 _cell_length_b 4.17550122 _cell_length_c 10.36272376 _cell_angle_alpha 101.59051242 _cell_angle_beta 101.59051242 _cell_angle_gamma 59.40673402 _symmetry_Int_Tables_number 1 _chemical_formula_structural KY2Ge _chemical_formula_sum 'K1 Y2 Ge1' _cell_volume 151.30516291 _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 2.46633245 -0.00000000 2.51793024 1 K K1 1 -0.10645897 -0.00000000 7.56909743 1 Y Y2 1 0.05501037 0.00000000 1.00724630 1 Y Y3 1 4.87017749 -0.00000000 4.02826061 1 [/CIF]
GeKY2
Cm
8
monoclinic
m
3,177.744087
false
[CIF] data_Sn3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74258269 _cell_length_b 5.74258269 _cell_length_c 5.73977408 _cell_angle_alpha 99.69812364 _cell_angle_beta 99.69812364 _cell_angle_gamma 33.53451865 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn3Ge _chemical_formula_sum 'Sn3 Ge1' _cell_volume 102.93571370 _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 Sn Sn1 1 4.99351418 -0.00000000 2.82512082 1 Sn Sn2 1 1.99685757 -0.00000000 4.24901403 1 Sn Sn3 1 7.99017078 -0.00000000 1.40122761 1 [/CIF]
GeSn3
C2/m
12
monoclinic
2/m
6,916.834887
false
[CIF] data_VCo2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88802972 _cell_length_b 2.88802972 _cell_length_c 6.22324812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCo2Ag _chemical_formula_sum 'V1 Co2 Ag1' _cell_volume 51.90634289 _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 3.11162406 1 Co Co1 1 1.44401486 1.44401486 4.94784495 1 Co Co2 1 1.44401486 1.44401486 1.27540317 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCo2V
P4/mmm
123
tetragonal
4/mmm
8,851.248732
false
[CIF] data_MnAsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01386229 _cell_length_b 7.01386229 _cell_length_c 3.04455800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAsRh _chemical_formula_sum 'Mn3 As3 Rh3' _cell_volume 129.70877341 _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 Mn Mn0 1 2.46399086 4.26775736 1.52227900 1 Mn Mn1 1 2.08588056 0.00000000 1.52227900 1 Mn Mn2 1 -1.04294028 1.80642555 1.52227900 1 As As3 1 0.00000000 0.00000000 0.00000000 1 As As4 1 0.00000000 4.04945528 1.52227900 1 As As5 1 3.50693114 2.02472764 1.52227900 1 Rh Rh6 1 -2.23397826 3.86936385 0.00000000 1 Rh Rh7 1 1.27295288 2.20481906 0.00000000 1 Rh Rh8 1 4.46795653 0.00000000 0.00000000 1 [/CIF]
As3Mn3Rh3
P-62m
189
hexagonal
-6m2
8,939.617967
false
[CIF] data_TlCdSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30099892 _cell_length_b 6.30099892 _cell_length_c 6.30099892 _cell_angle_alpha 137.49435404 _cell_angle_beta 137.49435404 _cell_angle_gamma 61.67830805 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCdSb2 _chemical_formula_sum 'Tl1 Cd1 Sb2' _cell_volume 112.89159867 _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 Sb Sb1 1 2.28401103 -0.00000000 2.70504966 1 Sb Sb2 1 0.00000000 2.28401103 2.70504966 1 Tl Tl3 1 0.00000000 -0.00000000 5.41009932 1 [/CIF]
CdSb2Tl
I4/mmm
139
tetragonal
4/mmm
8,241.74514
false
[CIF] data_CsLi3Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45715876 _cell_length_b 5.45715876 _cell_length_c 5.45715876 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLi3Zn _chemical_formula_sum 'Cs1 Li3 Zn1' _cell_volume 162.51736248 _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 Cs Cs0 1 2.72857938 2.72857938 2.72857938 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 0.00000000 2.72857938 0.00000000 1 Li Li3 1 0.00000000 0.00000000 2.72857938 1 Li Li4 1 2.72857938 0.00000000 0.00000000 1 [/CIF]
CsLi3Zn
Pm-3m
221
cubic
m-3m
2,238.764761
false
[CIF] data_MgTcBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35452174 _cell_length_b 5.35452174 _cell_length_c 5.35452174 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTcBi3 _chemical_formula_sum 'Mg1 Tc1 Bi3' _cell_volume 153.51897376 _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 Bi Bi1 1 2.67726087 0.00000000 2.67726087 1 Bi Bi2 1 2.67726087 2.67726087 0.00000000 1 Bi Bi3 1 0.00000000 2.67726087 2.67726087 1 Tc Tc4 1 2.67726087 2.67726087 2.67726087 1 [/CIF]
Bi3MgTc
Pm-3m
221
cubic
m-3m
8,114.028746
false
[CIF] data_BaYCoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21581936 _cell_length_b 5.21581936 _cell_length_c 5.21581936 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYCoAu _chemical_formula_sum 'Ba1 Y1 Co1 Au1' _cell_volume 100.33504011 _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 3.68814124 3.68814124 3.68814124 1 Ba Ba1 1 1.84407062 1.84407062 1.84407062 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.53221186 5.53221186 5.53221186 1 [/CIF]
AuBaCoY
F-43m
216
cubic
-43m
7,979.266665
false
[CIF] data_BaY2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35817518 _cell_length_b 6.35817518 _cell_length_c 7.01562690 _cell_angle_alpha 108.90741792 _cell_angle_beta 108.90741792 _cell_angle_gamma 33.26436457 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Cl _chemical_formula_sum 'Ba1 Y2 Cl1' _cell_volume 146.39831549 _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 4.48682469 0.00000000 2.96849964 1 Cl Cl1 1 8.16543452 0.00000000 1.44630845 1 Y Y2 1 -1.83621134 0.00000000 6.48361108 1 Y Y3 1 1.52891607 0.00000000 5.60721442 1 [/CIF]
BaClY2
Cm
8
monoclinic
m
3,976.625088
false
[CIF] data_Al3ReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85970982 _cell_length_b 4.85970982 _cell_length_c 4.85970982 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3ReBi _chemical_formula_sum 'Al3 Re1 Bi1' _cell_volume 114.77069542 _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 0.00000000 0.00000000 1 Bi Bi1 1 2.42985491 2.42985491 2.42985491 1 Al Al2 1 0.00000000 2.42985491 0.00000000 1 Al Al3 1 0.00000000 0.00000000 2.42985491 1 Al Al4 1 2.42985491 0.00000000 0.00000000 1 [/CIF]
Al3BiRe
Pm-3m
221
cubic
m-3m
6,888.830029
false
[CIF] data_NaZrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51024808 _cell_length_b 4.51024808 _cell_length_c 4.51024808 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrFe2 _chemical_formula_sum 'Na1 Zr1 Fe2' _cell_volume 64.87633268 _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 4.78384050 4.78384050 4.78384050 1 Fe Fe1 1 1.59461350 1.59461350 1.59461350 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.18922700 3.18922700 3.18922700 1 [/CIF]
Fe2NaZr
Fm-3m
225
cubic
m-3m
5,782.109109
false
[CIF] data_ZnBi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20169569 _cell_length_b 5.20169569 _cell_length_c 3.44253924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.14319963 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBi2Pt _chemical_formula_sum 'Zn1 Bi2 Pt1' _cell_volume 91.06280881 _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 1.63423946 2.02328221 1.72126962 1 Bi Bi1 1 1.63423946 -2.02328221 1.72126962 1 Pt Pt2 1 3.26847892 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2PtZn
Cmmm
65
orthorhombic
mmm
12,371.1414
false
[CIF] data_Zr2CdBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28510359 _cell_length_b 5.28510359 _cell_length_c 5.28510359 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2CdBi _chemical_formula_sum 'Zr2 Cd1 Bi1' _cell_volume 104.38678335 _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 5.60569888 5.60569889 5.60569889 1 Cd Cd1 1 3.73713259 3.73713259 3.73713259 1 Zr Zr2 1 1.86856629 1.86856629 1.86856629 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCdZr2
F-43m
216
cubic
-43m
8,014.855714
false
[CIF] data_Ti2NiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35675721 _cell_length_b 4.35675721 _cell_length_c 4.35675721 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2NiMo _chemical_formula_sum 'Ti2 Ni1 Mo1' _cell_volume 58.47565284 _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 3.08069257 3.08069257 3.08069257 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 4.62103886 4.62103886 4.62103886 1 Ti Ti3 1 1.54034629 1.54034629 1.54034629 1 [/CIF]
MoNiTi2
Fm-3m
225
cubic
m-3m
7,110.276487
false
[CIF] data_AlSi2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39119612 _cell_length_b 4.39119612 _cell_length_c 4.39119612 _cell_angle_alpha 128.13203856 _cell_angle_beta 128.13203856 _cell_angle_gamma 76.41122837 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSi2B _chemical_formula_sum 'Al1 Si2 B1' _cell_volume 50.90346816 _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 1.92042471 1.72529282 1 B B1 1 -0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.92042471 0.00000000 1.72529282 1 Si Si3 1 0.00000000 0.00000000 3.45058564 1 [/CIF]
AlBSi2
I-4m2
119
tetragonal
-42m
3,065.216032
false
[CIF] data_NaFe4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80628051 _cell_length_b 4.80628051 _cell_length_c 4.80628051 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFe4W _chemical_formula_sum 'Na1 Fe4 W1' _cell_volume 78.50771621 _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 2.54922877 2.54922877 4.24787831 1 Fe Fe1 1 2.54922877 4.24787831 2.54922877 1 Fe Fe2 1 4.24787831 2.54922877 2.54922877 1 Fe Fe3 1 4.24787831 4.24787831 4.24787831 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 1.69927677 1.69927677 1.69927677 1 [/CIF]
Fe4NaW
F-43m
216
cubic
-43m
9,099.489365
false
[CIF] data_AlCrPb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29891378 _cell_length_b 6.29891378 _cell_length_c 6.29891378 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrPb4 _chemical_formula_sum 'Al1 Cr1 Pb4' _cell_volume 176.71849081 _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 Cr Cr1 1 2.22700232 2.22700232 2.22700232 1 Pb Pb2 1 3.34762645 3.34762645 5.56038285 1 Pb Pb3 1 3.34762645 5.56038285 3.34762645 1 Pb Pb4 1 5.56038285 3.34762645 3.34762645 1 Pb Pb5 1 5.56038285 5.56038285 5.56038285 1 [/CIF]
AlCrPb4
F-43m
216
cubic
-43m
8,529.951935
false
[CIF] data_InSbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00232976 _cell_length_b 3.00232976 _cell_length_c 9.08105689 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.79303939 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSbW2 _chemical_formula_sum 'In1 Sb1 W2' _cell_volume 76.00629401 _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 Sb Sb1 1 0.00000000 0.00000000 4.54052844 1 W W2 1 1.68337415 0.00000000 6.73421620 1 W W3 1 1.68337415 0.00000000 2.34684069 1 [/CIF]
InSbW2
Cmmm
65
orthorhombic
mmm
13,201.459542
false
[CIF] data_VCo2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96364137 _cell_length_b 3.96364137 _cell_length_c 3.96364137 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCo2P _chemical_formula_sum 'V1 Co2 P1' _cell_volume 44.03196435 _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 2.80271769 2.80271769 2.80271769 1 Co Co1 1 4.20407654 4.20407654 4.20407654 1 P P2 1 -0.00000000 -0.00000000 0.00000000 1 Co Co3 1 1.40135885 1.40135885 1.40135885 1 [/CIF]
Co2PV
Fm-3m
225
cubic
m-3m
7,534.19119
false
[CIF] data_MoC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66621534 _cell_length_b 3.66621534 _cell_length_c 3.66621534 _cell_angle_alpha 130.40607390 _cell_angle_beta 130.40607390 _cell_angle_gamma 72.75841819 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoC2 _chemical_formula_sum 'Mo1 C2' _cell_volume 27.91474655 _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 3.65138437 1 C C1 1 0.00000000 0.00000000 2.25202213 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C2Mo
I4/mmm
139
tetragonal
4/mmm
7,137.224105
false
[CIF] data_Co3B2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16840598 _cell_length_b 5.16840598 _cell_length_c 2.63323939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3B2P _chemical_formula_sum 'Co3 B2 P1' _cell_volume 60.91639791 _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 2.98398058 0.00000000 1 B B1 1 2.58420299 1.49199029 0.00000000 1 Co Co2 1 -1.29210149 2.23798544 1.31661969 1 Co Co3 1 1.29210149 2.23798544 1.31661969 1 Co Co4 1 2.58420299 0.00000000 1.31661969 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2Co3P
P6/mmm
191
hexagonal
6/mmm
6,253.159224
false
[CIF] data_LiCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81039930 _cell_length_b 4.81039930 _cell_length_c 4.81039930 _cell_angle_alpha 144.66454512 _cell_angle_beta 144.66454512 _cell_angle_gamma 50.83471121 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu2 _chemical_formula_sum 'Li1 Cu2' _cell_volume 37.04221872 _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 5.82922622 1 Cu Cu1 1 -0.00000000 -0.00000000 2.86033028 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2Li
I4/mmm
139
tetragonal
4/mmm
6,008.469265
false
[CIF] data_NdCoSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38998100 _cell_length_b 4.38998100 _cell_length_c 9.85992700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdCoSb2 _chemical_formula_sum 'Nd2 Co2 Sb4' _cell_volume 190.01985431 _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 Nd Nd0 1 0.00000000 2.19499050 2.40580247 1 Nd Nd1 1 2.19499050 0.00000000 7.45412453 1 Co Co2 1 2.19499050 2.19499050 0.00000000 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 Sb Sb4 1 2.19499050 2.19499050 4.92996350 1 Sb Sb5 1 0.00000000 0.00000000 4.92996350 1 Sb Sb6 1 0.00000000 2.19499050 8.53976165 1 Sb Sb7 1 2.19499050 0.00000000 1.32016535 1 [/CIF]
Co2Nd2Sb4
P4/nmm
129
tetragonal
4/mmm
7,807.12968
false
[CIF] data_Li2InBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12896200 _cell_length_b 5.12896200 _cell_length_c 5.12896200 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2InBr _chemical_formula_sum 'Li2 In1 Br1' _cell_volume 95.40550754 _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 In In1 1 3.62672381 3.62672381 3.62672381 1 Li Li2 1 5.44008572 5.44008572 5.44008572 1 Li Li3 1 1.81336191 1.81336191 1.81336191 1 [/CIF]
BrInLi2
Fm-3m
225
cubic
m-3m
3,630.766194
false
[CIF] data_Nb2ReIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25428397 _cell_length_b 3.25428397 _cell_length_c 6.21004492 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2ReIr _chemical_formula_sum 'Nb2 Re1 Ir1' _cell_volume 65.76663714 _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 3.10502246 1 Nb Nb1 1 1.62714198 1.62714198 4.68022464 1 Nb Nb2 1 1.62714198 1.62714198 1.52982028 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrNb2Re
P4/mmm
123
tetragonal
4/mmm
14,246.390322
false
[CIF] data_NbAsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26819719 _cell_length_b 4.26819719 _cell_length_c 4.26819719 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAsPt _chemical_formula_sum 'Nb1 As1 Pt1' _cell_volume 54.98173374 _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 0.00000000 1 Nb Nb1 1 1.50903559 1.50903559 1.50903559 1 Pt Pt2 1 4.52710677 4.52710677 4.52710677 1 [/CIF]
AsNbPt
F-43m
216
cubic
-43m
10,960.54052
false
[CIF] data_I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53702256 _cell_length_b 5.53702256 _cell_length_c 5.53702256 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural I _chemical_formula_sum I2 _cell_volume 120.03665406 _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 I I0 1 1.95763310 1.95763310 1.95763310 1 I I1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
I2
Fd-3m
227
cubic
m-3m
3,511.091371
false
[CIF] data_Tl2AgB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00590616 _cell_length_b 5.00590616 _cell_length_c 5.00590616 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2AgB _chemical_formula_sum 'Tl2 Ag1 B1' _cell_volume 88.70193909 _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 5.30956529 5.30956529 5.30956529 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.76985509 1.76985509 1.76985509 1 Tl Tl3 1 3.53971019 3.53971019 3.53971019 1 [/CIF]
AgBTl2
F-43m
216
cubic
-43m
9,874.015895
false
[CIF] data_Cd2CuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57064637 _cell_length_b 4.57064637 _cell_length_c 4.57064637 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2CuIr _chemical_formula_sum 'Cd2 Cu1 Ir1' _cell_volume 67.51773505 _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 1.61596752 1.61596752 1.61596752 1 Cd Cd1 1 4.84790256 4.84790256 4.84790256 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 3.23193504 3.23193504 3.23193504 1 [/CIF]
Cd2CuIr
Fm-3m
225
cubic
m-3m
11,819.563655
false
[CIF] data_Sc2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36963022 _cell_length_b 6.36963022 _cell_length_c 6.36963022 _cell_angle_alpha 151.03607791 _cell_angle_beta 151.03607791 _cell_angle_gamma 41.42264719 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Rh _chemical_formula_sum 'Sc2 Rh1' _cell_volume 60.46850097 _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 0.00000000 1 Sc Sc1 1 0.00000000 -0.00000000 7.59403154 1 Sc Sc2 1 -0.00000000 0.00000000 4.32194342 1 [/CIF]
Rh2Sc4
I4/mmm
139
tetragonal
4/mmm
5,295.113428
false
[CIF] data_TcMo2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93560446 _cell_length_b 2.93560446 _cell_length_c 7.00308257 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMo2Cl _chemical_formula_sum 'Tc1 Mo2 Cl1' _cell_volume 60.35097971 _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 Mo Mo1 1 1.46780223 1.46780223 1.76530918 1 Mo Mo2 1 1.46780223 1.46780223 5.23777339 1 Tc Tc3 1 0.00000000 0.00000000 3.50154129 1 [/CIF]
ClMo2Tc
P4/mmm
123
tetragonal
4/mmm
8,977.474116
false
[CIF] data_NaAgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83584881 _cell_length_b 4.83584881 _cell_length_c 5.84667049 _cell_angle_alpha 92.18861326 _cell_angle_beta 92.18861326 _cell_angle_gamma 31.47277105 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAgMo2 _chemical_formula_sum 'Na1 Ag1 Mo2' _cell_volume 71.32800285 _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 2.18653595 0.00000000 4.34629610 1 Mo Mo1 1 9.20832004 -0.00000000 0.14972119 1 Mo Mo2 1 6.94084050 -0.00000000 1.25123043 1 Na Na3 1 4.58934108 -0.00000000 3.01585239 1 [/CIF]
AgMo2Na
Cm
8
monoclinic
m
7,514.375931
false
[CIF] data_Gd2FeNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75671243 _cell_length_b 4.75671243 _cell_length_c 4.75671243 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2FeNi _chemical_formula_sum 'Gd2 Fe1 Ni1' _cell_volume 76.10368610 _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 Gd Gd1 1 5.04525542 5.04525542 5.04525542 1 Gd Gd2 1 1.68175181 1.68175181 1.68175181 1 Ni Ni3 1 3.36350362 3.36350362 3.36350362 1 [/CIF]
FeGd2Ni
Fm-3m
225
cubic
m-3m
9,361.373421
false
[CIF] data_YAu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25531637 _cell_length_b 5.25531637 _cell_length_c 3.86281042 _cell_angle_alpha 90.95554314 _cell_angle_beta 90.95554314 _cell_angle_gamma 118.95612771 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAu2Cl _chemical_formula_sum 'Y1 Au2 Cl1' _cell_volume 93.29756071 _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 1.27108352 2.26355616 1.93036368 1 Au Au1 1 1.27108352 -2.26355615 1.93036368 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.66900810 -0.00000000 0.00000000 1 [/CIF]
Au2ClY
C2/m
12
monoclinic
2/m
9,224.722355
false
[CIF] data_CoPdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87267255 _cell_length_b 4.87267255 _cell_length_c 4.87267255 _cell_angle_alpha 131.71889575 _cell_angle_beta 131.71889575 _cell_angle_gamma 70.67336446 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPdAu2 _chemical_formula_sum 'Co1 Pd1 Au2' _cell_volume 63.14291382 _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 1.99280824 1.98748387 1 Au Au1 1 1.99280824 0.00000000 1.98748387 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 3.97496773 1 [/CIF]
Au2CoPd
I4/mmm
139
tetragonal
4/mmm
14,708.171498
false
[CIF] data_Gd2WO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34825200 _cell_length_b 9.26501700 _cell_length_c 10.12362800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2WO6 _chemical_formula_sum 'Gd8 W4 O24' _cell_volume 501.64242786 _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 Gd Gd0 1 2.56654591 5.59266074 5.42338950 1 Gd Gd1 1 5.24067191 8.30486476 4.70023850 1 Gd Gd2 1 2.78170609 0.96015224 9.76205250 1 Gd Gd3 1 0.10758009 3.67235626 0.36157550 1 Gd Gd4 1 5.15121170 7.23682139 8.80553163 1 Gd Gd5 1 2.47708570 6.66070411 1.31809637 1 Gd Gd6 1 0.19704030 2.60431289 6.37991037 1 Gd Gd7 1 2.87116630 2.02819561 3.74371763 1 W W8 1 2.46308932 9.22720647 6.58740425 1 W W9 1 5.13721532 4.67031903 3.53622375 1 W W10 1 2.88516268 4.59469797 8.59803775 1 W W11 1 0.21103668 0.03781053 1.52559025 1 O O12 1 1.35047642 0.82183480 5.13312484 1 O O13 1 4.02460242 3.81067370 4.99050316 1 O O14 1 3.99777558 5.45434330 10.05231716 1 O O15 1 1.32364958 8.44318220 0.07131084 1 O O16 1 3.89673106 1.05692534 5.74383269 1 O O17 1 1.22260506 3.57558316 4.37979531 1 O O18 1 1.45152094 5.68943384 9.44160931 1 O O19 1 4.12564694 8.20809166 0.68201869 1 O O20 1 0.98569889 8.00361273 6.88893651 1 O O21 1 3.65982489 5.89391277 3.23469149 1 O O22 1 4.36255311 3.37110423 8.29650549 1 O O23 1 1.68842711 1.26140427 1.82712251 1 O O24 1 1.01154699 7.96814625 2.65704740 1 O O25 1 3.68567299 5.92937925 7.46658060 1 O O26 1 4.33670501 3.33563775 2.40476660 1 O O27 1 1.66257901 1.29687075 7.71886140 1 O O28 1 4.42358202 0.44480420 2.98932512 1 O O29 1 1.74945602 4.18770430 7.13430288 1 O O30 1 0.92466998 5.07731270 2.07248888 1 O O31 1 3.59879598 8.82021280 8.05113912 1 O O32 1 4.90264099 1.43550320 0.30754570 1 O O33 1 2.22851499 3.19700530 9.81608230 1 O O34 1 0.44561101 6.06801170 4.75426830 1 O O35 1 3.11973701 7.82951380 5.36935970 1 [/CIF]
Gd8O24W4
P2_12_12_1
19
orthorhombic
222
7,869.500314
false
[CIF] data_KCaZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45858519 _cell_length_b 5.45858519 _cell_length_c 5.45858519 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaZnIn _chemical_formula_sum 'K1 Ca1 Zn1 In1' _cell_volume 115.00726582 _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 5.78970390 5.78970390 5.78970390 1 In In1 1 1.92990130 1.92990130 1.92990130 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.85980260 3.85980260 3.85980260 1 [/CIF]
CaInKZn
F-43m
216
cubic
-43m
3,744.990849
false
[CIF] data_YIrRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67772968 _cell_length_b 4.67772968 _cell_length_c 4.67772968 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YIrRhAu _chemical_formula_sum 'Y1 Ir1 Rh1 Au1' _cell_volume 72.37529816 _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 3.30765438 3.30765438 3.30765438 1 Ir Ir1 1 4.96148157 4.96148157 4.96148157 1 Rh Rh2 1 1.65382719 1.65382719 1.65382719 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuIrRhY
F-43m
216
cubic
-43m
13,330.028132
false
[CIF] data_CuPbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87146973 _cell_length_b 3.87146973 _cell_length_c 3.87146973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPbO3 _chemical_formula_sum 'Cu1 Pb1 O3' _cell_volume 58.02666408 _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 O O1 1 0.00000000 0.00000000 1.93573486 1 O O2 1 0.00000000 1.93573486 0.00000000 1 O O3 1 1.93573486 0.00000000 0.00000000 1 Pb Pb4 1 1.93573486 1.93573486 1.93573486 1 [/CIF]
CuO3Pb
Pm-3m
221
cubic
m-3m
9,121.447954
false
[CIF] data_ZrNbBiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82768474 _cell_length_b 4.82768474 _cell_length_c 4.82768474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbBiOs _chemical_formula_sum 'Zr1 Nb1 Bi1 Os1' _cell_volume 79.56127033 _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 1.70684431 1.70684431 1.70684431 1 Nb Nb1 1 3.41368862 3.41368862 3.41368862 1 Os Os2 1 5.12053293 5.12053293 5.12053293 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiNbOsZr
F-43m
216
cubic
-43m
12,175.021217
false
[CIF] data_Sr2ReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60836449 _cell_length_b 5.60836449 _cell_length_c 3.54516202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ReHg _chemical_formula_sum 'Sr2 Re1 Hg1' _cell_volume 111.50864789 _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 2.80418225 2.80418225 0.00000000 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 0.00000000 2.80418225 1.77258101 1 Sr Sr3 1 2.80418225 0.00000000 1.77258101 1 [/CIF]
HgReSr2
P4/mmm
123
tetragonal
4/mmm
8,369.714257
false
[CIF] data_CaPaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05554070 _cell_length_b 5.05554070 _cell_length_c 5.05554070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPaPd2 _chemical_formula_sum 'Ca1 Pa1 Pd2' _cell_volume 91.36667840 _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 Pa Pa1 1 3.57480711 3.57480712 3.57480712 1 Pd Pd2 1 1.78740356 1.78740356 1.78740356 1 Pd Pd3 1 5.36221067 5.36221067 5.36221067 1 [/CIF]
CaPaPd2
Fm-3m
225
cubic
m-3m
8,795.595268
false
[CIF] data_VSi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08170163 _cell_length_b 6.06237718 _cell_length_c 3.65403548 _cell_angle_alpha 72.77811545 _cell_angle_beta 72.20017590 _cell_angle_gamma 35.02170865 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSi2Br _chemical_formula_sum 'V1 Si2 Br1' _cell_volume 73.35624392 _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 2.56098591 2.60640106 5.49488565 1 Si Si1 1 -0.00000000 1.30320053 2.74744282 1 Si Si2 1 2.56098591 1.30320053 2.74744282 1 V V3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
BrSi2V
Fmmm
69
orthorhombic
mmm
4,233.425647
false
[CIF] data_InRu4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11694882 _cell_length_b 5.11694882 _cell_length_c 5.11694882 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRu4W _chemical_formula_sum 'In1 Ru4 W1' _cell_volume 94.73669325 _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 Ru Ru1 1 2.71158064 4.52487778 2.71158064 1 Ru Ru2 1 4.52487778 2.71158064 2.71158064 1 Ru Ru3 1 4.52487778 4.52487778 4.52487778 1 Ru Ru4 1 2.71158064 2.71158064 4.52487778 1 W W5 1 1.80911461 1.80911461 1.80911461 1 [/CIF]
InRu4W
F-43m
216
cubic
-43m
12,321.055024
false
[CIF] data_Ti2AlV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89191790 _cell_length_b 4.89191790 _cell_length_c 2.78340851 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.91476697 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2AlV _chemical_formula_sum 'Ti2 Al1 V1' _cell_volume 63.01257874 _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 Ti Ti1 1 1.42185632 1.99023612 1.39170426 1 Ti Ti2 1 1.42185632 -1.99023611 1.39170426 1 V V3 1 2.84371264 -0.00000000 0.00000000 1 [/CIF]
AlTi2V
Cmmm
65
orthorhombic
mmm
4,576.297345
false
[CIF] data_CdFeSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61131820 _cell_length_b 4.61131820 _cell_length_c 4.61131820 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFeSnRh _chemical_formula_sum 'Cd1 Fe1 Sn1 Rh1' _cell_volume 69.33623835 _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 3.26069437 3.26069437 3.26069437 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.89104156 4.89104156 4.89104156 1 Sn Sn3 1 1.63034718 1.63034718 1.63034718 1 [/CIF]
CdFeRhSn
F-43m
216
cubic
-43m
9,337.063448
false
[CIF] data_Ta2MnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.38947400 _cell_length_b 5.67111000 _cell_length_c 5.04740000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2MnO6 _chemical_formula_sum 'Ta8 Mn4 O24' _cell_volume 411.88949282 _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 Mn Mn0 1 0.00000000 1.00115750 1.26185000 1 Mn Mn1 1 7.19473700 1.83439750 3.78555000 1 Mn Mn2 1 0.00000000 4.66995250 3.78555000 1 Mn Mn3 1 7.19473700 3.83671250 1.26185000 1 O O4 1 3.68200850 0.68926750 2.94725000 1 O O5 1 3.51272850 2.14628750 0.42355000 1 O O6 1 10.87674550 2.14628750 2.10015000 1 O O7 1 10.70746550 0.68926750 4.62385000 1 O O8 1 10.70746550 4.98184250 2.10015000 1 O O9 1 10.87674550 3.52482250 4.62385000 1 O O10 1 3.51272850 3.52482250 2.94725000 1 O O11 1 3.68200850 4.98184250 0.42355000 1 O O12 1 1.39069850 2.28162750 2.20563000 1 O O13 1 5.80403850 0.55392750 4.72933000 1 O O14 1 8.58543550 0.55392750 2.84177000 1 O O15 1 12.99877550 2.28162750 0.31807000 1 O O16 1 12.99877550 3.38948250 2.84177000 1 O O17 1 8.58543550 5.11718250 0.31807000 1 O O18 1 5.80403850 5.11718250 2.20563000 1 O O19 1 1.39069850 3.38948250 4.72933000 1 O O20 1 1.18842850 0.60864750 4.58932000 1 O O21 1 6.00630850 2.22690750 2.06562000 1 O O22 1 8.38316550 2.22690750 0.45808000 1 O O23 1 13.20104550 0.60864750 2.98178000 1 O O24 1 13.20104550 5.06246250 0.45808000 1 O O25 1 8.38316550 3.44420250 2.98178000 1 O O26 1 6.00630850 3.44420250 4.58932000 1 O O27 1 1.18842850 5.06246250 2.06562000 1 Ta Ta28 1 2.32592850 1.80924750 3.83328000 1 Ta Ta29 1 4.86880850 1.02630750 1.30958000 1 Ta Ta30 1 9.52066550 1.02630750 1.21412000 1 Ta Ta31 1 12.06354550 1.80924750 3.73782000 1 Ta Ta32 1 12.06354550 3.86186250 1.21412000 1 Ta Ta33 1 9.52066550 4.64480250 3.73782000 1 Ta Ta34 1 4.86880850 4.64480250 3.83328000 1 Ta Ta35 1 2.32592850 3.86186250 1.30958000 1 [/CIF]
Mn4O24Ta8
Pbcn
60
orthorhombic
mmm
8,269.932638
false
[CIF] data_LaNi2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42948895 _cell_length_b 5.42948895 _cell_length_c 5.42948895 _cell_angle_alpha 45.86268842 _cell_angle_beta 45.86268842 _cell_angle_gamma 45.86268842 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNi2Ru _chemical_formula_sum 'La1 Ni2 Ru1' _cell_volume 75.17205642 _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 10.97175977 1 Ni Ni1 1 -0.00000000 -0.00000000 13.73101801 1 Ni Ni2 1 0.00000000 -0.00000000 3.63277482 1 Ru Ru3 1 0.00000000 0.00000000 8.28127902 1 [/CIF]
LaNi2Ru
R3m
160
trigonal
3m
7,888.998738
false
[CIF] data_TlVIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87459325 _cell_length_b 2.87459325 _cell_length_c 7.92469203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVIr2 _chemical_formula_sum 'Tl1 V1 Ir2' _cell_volume 65.48399950 _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 1.43729663 1.43729663 7.82068504 1 Ir Ir1 1 0.00000000 0.00000000 1.83863966 1 Tl Tl2 1 1.43729663 1.43729663 3.95299472 1 V V3 1 0.00000000 0.00000000 6.19941066 1 [/CIF]
Ir2TlV
P4mm
99
tetragonal
4mm
16,222.962688
false
[CIF] data_LaBeNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51740981 _cell_length_b 4.51740981 _cell_length_c 4.51740981 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeNi2 _chemical_formula_sum 'La1 Be1 Ni2' _cell_volume 65.18587118 _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 La La1 1 3.19429111 3.19429111 3.19429111 1 Ni Ni2 1 4.79143666 4.79143666 4.79143666 1 Ni Ni3 1 1.59714556 1.59714556 1.59714556 1 [/CIF]
BeLaNi2
Fm-3m
225
cubic
m-3m
6,758.34194
false
[CIF] data_LaIr2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46428497 _cell_length_b 9.46428497 _cell_length_c 9.46428497 _cell_angle_alpha 18.51075231 _cell_angle_beta 18.51075231 _cell_angle_gamma 18.51075231 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaIr2Se _chemical_formula_sum 'La1 Ir2 Se1' _cell_volume 74.64390979 _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 20.61167941 1 Ir Ir1 1 0.00000000 0.00000000 7.28723568 1 La La2 1 0.00000000 -0.00000000 13.94945755 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2LaSe
R-3m
166
trigonal
-3m
13,398.839928
false
[CIF] data_VFeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00008168 _cell_length_b 4.10726521 _cell_length_c 4.39243056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeRu2 _chemical_formula_sum 'V1 Fe1 Ru2' _cell_volume 54.12410526 _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 1.50004084 0.00000000 2.19621528 1 Ru Ru1 1 1.50004084 2.05363261 0.00000000 1 Ru Ru2 1 0.00000000 2.05363261 2.19621528 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeRu2V
Pmmm
47
orthorhombic
mmm
9,477.930758
false
[CIF] data_NbSnF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61563389 _cell_length_b 4.61563389 _cell_length_c 4.61563389 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSnF3 _chemical_formula_sum 'Nb1 Sn1 F3' _cell_volume 98.33181613 _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 Sn Sn1 1 2.30781694 2.30781694 2.30781694 1 F F2 1 2.30781694 0.00000000 2.30781694 1 F F3 1 2.30781694 2.30781694 0.00000000 1 F F4 1 0.00000000 2.30781694 2.30781694 1 [/CIF]
F3NbSn
Pm-3m
221
cubic
m-3m
4,536.070377
false
[CIF] data_LaTaTiCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78641714 _cell_length_b 4.78641714 _cell_length_c 4.78641714 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaTiCr _chemical_formula_sum 'La1 Ta1 Ti1 Cr1' _cell_volume 77.53836486 _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 3.38450802 3.38450802 3.38450802 1 La La1 1 1.69225401 1.69225401 1.69225401 1 Ta Ta2 1 5.07676203 5.07676203 5.07676203 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrLaTaTi
F-43m
216
cubic
-43m
8,988.525401
false
[CIF] data_Sr2ScTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53980536 _cell_length_b 3.53980536 _cell_length_c 10.83663239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ScTi _chemical_formula_sum 'Sr2 Sc1 Ti1' _cell_volume 135.78540943 _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 0.00000000 1 Sr Sr1 1 1.76990268 1.76990268 2.85962734 1 Sr Sr2 1 1.76990268 1.76990268 7.97700505 1 Ti Ti3 1 0.00000000 0.00000000 5.41831620 1 [/CIF]
ScSr2Ti
P4/mmm
123
tetragonal
4/mmm
3,278.179442
false
[CIF] data_Y2MnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99334576 _cell_length_b 4.99334576 _cell_length_c 3.63197172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MnHg _chemical_formula_sum 'Y2 Mn1 Hg1' _cell_volume 90.55777389 _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 2.49667288 2.49667288 0.00000000 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 0.00000000 2.49667288 1.81598586 1 Y Y3 1 2.49667288 0.00000000 1.81598586 1 [/CIF]
HgMnY2
P4/mmm
123
tetragonal
4/mmm
7,946.10405
false
[CIF] data_Hf2ScAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13434928 _cell_length_b 4.13434928 _cell_length_c 4.68144769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ScAs _chemical_formula_sum 'Hf2 Sc1 As1' _cell_volume 80.01925491 _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 2.06717464 2.06717464 0.00000000 1 Hf Hf1 1 2.06717464 0.00000000 2.34072384 1 Hf Hf2 1 0.00000000 2.06717464 2.34072384 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsHf2Sc
P4/mmm
123
tetragonal
4/mmm
9,896.085483
false
[CIF] data_KCdWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05914291 _cell_length_b 5.05914291 _cell_length_c 5.05914291 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdWAu _chemical_formula_sum 'K1 Cd1 W1 Au1' _cell_volume 91.56212115 _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 5.36603139 5.36603139 5.36603139 1 Cd Cd1 1 3.57735426 3.57735426 3.57735426 1 K K2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.78867713 1.78867713 1.78867713 1 [/CIF]
AuCdKW
F-43m
216
cubic
-43m
9,653.897105
false
[CIF] data_CuAgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19582520 _cell_length_b 3.19582520 _cell_length_c 6.02466429 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAgSe _chemical_formula_sum 'Cu1 Ag1 Se1' _cell_volume 53.28801191 _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 1.59791262 0.92255526 0.11487468 1 Cu Cu1 1 0.00000000 0.00000000 2.11972843 1 Se Se2 1 0.00000002 1.84511053 3.79006118 1 [/CIF]
AgCuSe
P3m1
156
trigonal
3m
7,802.05764
false
[CIF] data_KTaMnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64844019 _cell_length_b 4.64844019 _cell_length_c 4.64844019 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaMnMo _chemical_formula_sum 'K1 Ta1 Mn1 Mo1' _cell_volume 71.02426437 _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 Mn Mn1 1 4.93041537 4.93041537 4.93041537 1 Mo Mo2 1 3.28694358 3.28694358 3.28694358 1 Ta Ta3 1 1.64347179 1.64347179 1.64347179 1 [/CIF]
KMnMoTa
F-43m
216
cubic
-43m
8,672.632974
false
[CIF] data_Sc2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48024736 _cell_length_b 4.48024736 _cell_length_c 3.82280529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Se _chemical_formula_sum 'Sc2 Se1' _cell_volume 66.45333718 _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 2.58667202 2.93781057 1 Sc Sc1 1 2.24012368 1.29333601 0.88499472 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc2Se
P-3m1
164
trigonal
-3m
4,219.776959
false
[CIF] data_GaRePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21612112 _cell_length_b 6.21612112 _cell_length_c 6.21612112 _cell_angle_alpha 154.20079072 _cell_angle_beta 154.20079072 _cell_angle_gamma 36.80782481 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRePt _chemical_formula_sum 'Ga1 Re1 Pt1' _cell_volume 45.43339736 _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 0.00321039 1 Pt Pt1 1 0.00000000 -0.00000000 3.91978086 1 Re Re2 1 0.00000000 0.00000000 7.87339719 1 [/CIF]
GaPtRe
I4mm
107
tetragonal
4mm
16,484.049401
false
[CIF] data_SnIrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97205488 _cell_length_b 3.97205488 _cell_length_c 4.12037238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnIrPd2 _chemical_formula_sum 'Sn1 Ir1 Pd2' _cell_volume 65.00802140 _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 1.98602744 1.98602744 0.00000000 1 Pd Pd1 1 1.98602744 0.00000000 2.06018619 1 Pd Pd2 1 0.00000000 1.98602744 2.06018619 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrPd2Sn
P4/mmm
123
tetragonal
4/mmm
13,378.896121
false
[CIF] data_Co2RhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67173154 _cell_length_b 2.67173154 _cell_length_c 7.28742448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.08361119 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2RhW _chemical_formula_sum 'Co2 Rh1 W1' _cell_volume 52.00942207 _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 1.87125047 0.00000000 5.49859417 1 Co Co1 1 1.87125047 0.00000000 1.78883031 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.64371224 1 [/CIF]
Co2RhW
Cmmm
65
orthorhombic
mmm
12,918.310249
false
[CIF] data_Zr2MnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94672665 _cell_length_b 2.94672665 _cell_length_c 7.09611127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2MnB _chemical_formula_sum 'Zr2 Mn1 B1' _cell_volume 61.61693862 _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 4.04152276 1 Mn Mn1 1 1.47336332 1.47336332 4.74337294 1 Zr Zr2 1 0.00000000 0.00000000 6.65564535 1 Zr Zr3 1 1.47336332 1.47336332 2.29973712 1 [/CIF]
BMnZr2
P4mm
99
tetragonal
4mm
6,688.760774
false
[CIF] data_NiPdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36159512 _cell_length_b 3.36159512 _cell_length_c 7.65457951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiPdPb2 _chemical_formula_sum 'Ni1 Pd1 Pb2' _cell_volume 86.49921133 _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 0.00000000 0.00000000 5.48378118 1 Pb Pb1 1 1.68079756 1.68079756 7.02699087 1 Pb Pb2 1 0.00000000 0.00000000 2.47225986 1 Pd Pd3 1 1.68079756 1.68079756 4.15341687 1 [/CIF]
NiPb2Pd
P4mm
99
tetragonal
4mm
11,125.01057
false
[CIF] data_NaSnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02209394 _cell_length_b 5.02209394 _cell_length_c 5.02209394 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSnSe _chemical_formula_sum 'Na1 Sn1 Se1' _cell_volume 89.56524086 _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 Se Se1 1 5.32673502 5.32673502 5.32673502 1 Sn Sn2 1 3.55115668 3.55115668 3.55115668 1 [/CIF]
NaSeSn
F-43m
216
cubic
-43m
4,091.030893
false
[CIF] data_Zr4ScCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72608599 _cell_length_b 5.72608599 _cell_length_c 5.72608599 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4ScCr _chemical_formula_sum 'Zr4 Sc1 Cr1' _cell_volume 132.75735712 _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 6.07343135 6.07343135 6.07343134 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.05543655 5.05543655 3.04247191 1 Zr Zr3 1 5.05543655 3.04247191 5.05543655 1 Zr Zr4 1 3.04247191 5.05543655 5.05543655 1 Zr Zr5 1 3.04247191 3.04247191 3.04247191 1 [/CIF]
CrScZr4
F-43m
216
cubic
-43m
5,776.829875
false
[CIF] data_Hf2OsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66386258 _cell_length_b 4.66386258 _cell_length_c 4.66386258 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2OsAu _chemical_formula_sum 'Hf2 Os1 Au1' _cell_volume 71.73353612 _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 4.94677329 4.94677329 4.94677329 1 Hf Hf1 1 1.64892443 1.64892443 1.64892443 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 3.29784886 3.29784886 3.29784886 1 [/CIF]
AuHf2Os
F-43m
216
cubic
-43m
17,226.730093
false
[CIF] data_CaHfBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99077420 _cell_length_b 4.99077420 _cell_length_c 4.99077420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfBiIr _chemical_formula_sum 'Ca1 Hf1 Bi1 Ir1' _cell_volume 87.89997793 _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 3.52901028 3.52901028 3.52901028 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.29351542 5.29351542 5.29351542 1 Ir Ir3 1 1.76450514 1.76450514 1.76450514 1 [/CIF]
BiCaHfIr
F-43m
216
cubic
-43m
11,708.133301
false
[CIF] data_NaTi4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33557703 _cell_length_b 5.33557703 _cell_length_c 5.33557703 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi4Ni _chemical_formula_sum 'Na1 Ti4 Ni1' _cell_volume 107.40615879 _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 Ni Ni1 1 1.88641135 1.88641135 1.88641135 1 Ti Ti2 1 2.84970064 2.84970064 4.69594476 1 Ti Ti3 1 2.84970064 4.69594476 2.84970064 1 Ti Ti4 1 4.69594476 2.84970064 2.84970064 1 Ti Ti5 1 4.69594476 4.69594476 4.69594476 1 [/CIF]
NaNiTi4
F-43m
216
cubic
-43m
4,223.018426
false
[CIF] data_TeAsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20086793 _cell_length_b 7.20086793 _cell_length_c 7.20086793 _cell_angle_alpha 155.16937597 _cell_angle_beta 155.16937597 _cell_angle_gamma 35.40212489 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeAsPd _chemical_formula_sum 'Te1 As1 Pd1' _cell_volume 65.76770062 _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 13.17972802 1 Pd Pd1 1 0.00000000 -0.00000000 4.83201712 1 Te Te2 1 -0.00000000 0.00000000 9.42805050 1 [/CIF]
AsPdTe
I4mm
107
tetragonal
4mm
7,800.327383
false
[CIF] data_CuRe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84713625 _cell_length_b 4.84713625 _cell_length_c 4.84713625 _cell_angle_alpha 134.90357707 _cell_angle_beta 134.90357707 _cell_angle_gamma 65.68005589 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRe2Ru _chemical_formula_sum 'Cu1 Re2 Ru1' _cell_volume 56.27737482 _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 Re Re1 1 1.85868623 0.00000000 2.03625274 1 Re Re2 1 0.00000000 1.85868623 2.03625274 1 Ru Ru3 1 0.00000000 0.00000000 4.07250547 1 [/CIF]
CuRe2Ru
I4/mmm
139
tetragonal
4/mmm
15,845.787011
false
[CIF] data_HgTe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14719096 _cell_length_b 3.14719096 _cell_length_c 10.19826169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgTe2Os _chemical_formula_sum 'Hg1 Te2 Os1' _cell_volume 101.01185380 _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 1.57359548 1.57359548 5.72329781 1 Os Os1 1 0.00000000 0.00000000 7.77329169 1 Te Te2 1 1.57359548 1.57359548 9.26646457 1 Te Te3 1 0.00000000 0.00000000 2.73260015 1 [/CIF]
HgOsTe2
P4mm
99
tetragonal
4mm
10,619.975384
false
[CIF] data_CaV2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02374999 _cell_length_b 3.02374999 _cell_length_c 6.90119721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV2B _chemical_formula_sum 'Ca1 V2 B1' _cell_volume 63.09808789 _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 2.80969208 1 Ca Ca1 1 1.51187500 1.51187500 4.85421012 1 V V2 1 0.00000000 0.00000000 0.65296423 1 V V3 1 1.51187500 1.51187500 2.03492938 1 [/CIF]
BCaV2
P4mm
99
tetragonal
4mm
4,020.470781
false