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_GaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32633691 _cell_length_b 4.14366826 _cell_length_c 7.74335498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRh2 _chemical_formula_sum 'Ga4 Rh8' _cell_volume 170.90028287 _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 1.03321658 1.03591707 6.95592709 1 Ga Ga1 1 1.62995188 3.10775120 3.08424960 1 Ga Ga2 1 3.69638503 1.03591707 4.65910538 1 Ga Ga3 1 4.29312033 3.10775120 0.78742789 1 Rh Rh4 1 2.83127889 1.03591707 2.14768463 1 Rh Rh5 1 5.15822648 3.10775120 6.01936212 1 Rh Rh6 1 0.16811043 1.03591707 1.72399286 1 Rh Rh7 1 2.49505802 3.10775120 5.59567035 1 Rh Rh8 1 3.59943601 1.03591707 7.22589413 1 Rh Rh9 1 4.39006936 3.10775120 3.35421664 1 Rh Rh10 1 0.93626755 1.03591707 4.38913834 1 Rh Rh11 1 1.72690090 3.10775120 0.51746085 1 [/CIF]
Ga4Rh8
Pnma
62
orthorhombic
mmm
10,708.817177
false
[CIF] data_Ta2ReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54860919 _cell_length_b 4.54860919 _cell_length_c 4.54860919 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ReMo _chemical_formula_sum 'Ta2 Re1 Mo1' _cell_volume 66.54583430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.21635240 3.21635240 3.21635240 1 Ta Ta2 1 1.60817620 1.60817620 1.60817620 1 Ta Ta3 1 4.82452860 4.82452860 4.82452860 1 [/CIF]
MoReTa2
Fm-3m
225
cubic
m-3m
16,071.499975
false
[CIF] data_CrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49920910 _cell_length_b 3.49920910 _cell_length_c 5.68733696 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFe _chemical_formula_sum 'Cr2 Fe2' _cell_volume 60.30861888 _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 Cr Cr0 1 1.74960455 1.01013466 2.84471523 1 Cr Cr1 1 -0.00000000 2.02026932 0.00104675 1 Fe Fe2 1 1.74960455 1.01013466 4.97536637 1 Fe Fe3 1 -0.00000000 2.02026932 2.13169789 1 [/CIF]
Cr2Fe2
P6_3mc
186
hexagonal
6mm
5,938.599973
false
[CIF] data_VGeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60540256 _cell_length_b 5.60540256 _cell_length_c 5.60540256 _cell_angle_alpha 144.50284735 _cell_angle_beta 144.50284735 _cell_angle_gamma 51.07601773 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGeBi _chemical_formula_sum 'V1 Ge1 Bi1' _cell_volume 59.07134231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.08431121 1 Ge Ge1 1 0.00000000 -0.00000000 2.95211641 1 V V2 1 0.00000000 -0.00000000 7.07907606 1 [/CIF]
BiGeV
I4mm
107
tetragonal
4mm
9,348.560662
false
[CIF] data_LiAg2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66724711 _cell_length_b 4.24130268 _cell_length_c 5.63350655 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAg2Ru _chemical_formula_sum 'Li1 Ag2 Ru1' _cell_volume 63.72961924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.33362356 2.12065134 4.22274733 1 Ag Ag1 1 1.33362356 2.12065134 1.41075922 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 2.81675328 1 [/CIF]
Ag2LiRu
Pmmm
47
orthorhombic
mmm
8,435.562801
false
[CIF] data_La2MnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68184117 _cell_length_b 6.68184117 _cell_length_c 6.68184117 _cell_angle_alpha 148.51966109 _cell_angle_beta 140.94427415 _cell_angle_gamma 50.99760120 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MnAs _chemical_formula_sum 'La2 Mn1 As1' _cell_volume 97.66579544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81261855 0.00000000 3.87121869 1 La La1 1 0.00000000 0.00000000 12.00960478 1 La La2 1 -0.00000000 2.23350715 2.75050699 1 Mn Mn3 1 -0.00000000 0.00000000 5.49263646 1 [/CIF]
AsLa2Mn
Imm2
44
orthorhombic
mm2
6,931.320527
false
[CIF] data_Ag3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97786792 _cell_length_b 3.97786792 _cell_length_c 3.97786792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag3Pd _chemical_formula_sum 'Ag3 Pd1' _cell_volume 62.94352712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98893396 1.98893396 0.00000000 1 Ag Ag1 1 0.00000000 1.98893396 1.98893396 1 Ag Ag2 1 1.98893396 0.00000000 1.98893396 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag3Pd
Pm-3m
221
cubic
m-3m
11,344.655766
false
[CIF] data_PPdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36134347 _cell_length_b 5.36134347 _cell_length_c 5.36134347 _cell_angle_alpha 148.43992895 _cell_angle_beta 148.43992895 _cell_angle_gamma 45.23635967 _symmetry_Int_Tables_number 1 _chemical_formula_structural PPdRu _chemical_formula_sum 'P1 Pd1 Ru1' _cell_volume 42.08100424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 -0.00000000 0.00000000 0.15762107 1 Pd Pd1 1 0.00000000 0.00000000 3.45293623 1 Ru Ru2 1 -0.00000000 0.00000000 6.28742876 1 [/CIF]
PPdRu
I4mm
107
tetragonal
4mm
9,409.916252
false
[CIF] data_BaLaMnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00287881 _cell_length_b 5.00287881 _cell_length_c 5.00287881 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaMnNi _chemical_formula_sum 'Ba1 La1 Mn1 Ni1' _cell_volume 88.54110737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.30635430 5.30635430 5.30635430 1 La La1 1 3.53756953 3.53756953 3.53756953 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 1.76878477 1.76878477 1.76878477 1 [/CIF]
BaLaMnNi
F-43m
216
cubic
-43m
7,311.680198
false
[CIF] data_Y2AgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00796684 _cell_length_b 5.00796684 _cell_length_c 5.00796684 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2AgP _chemical_formula_sum 'Y2 Ag1 P1' _cell_volume 88.81152652 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.54116731 3.54116731 3.54116731 1 P P1 1 0.00000000 -0.00000000 0.00000000 1 Y Y2 1 5.31175096 5.31175096 5.31175097 1 Y Y3 1 1.77058365 1.77058365 1.77058365 1 [/CIF]
AgPY2
Fm-3m
225
cubic
m-3m
5,920.580323
false
[CIF] data_Pm2AgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09885649 _cell_length_b 5.09885649 _cell_length_c 5.09885649 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pm2AgMo _chemical_formula_sum 'Pm2 Ag1 Mo1' _cell_volume 93.73534196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.60543600 3.60543600 3.60543600 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Pm Pm2 1 5.40815400 5.40815400 5.40815400 1 Pm Pm3 1 1.80271800 1.80271800 1.80271800 1 [/CIF]
AgMoPm2
Fm-3m
225
cubic
m-3m
8,748.258673
false
[CIF] data_TaFe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18959464 _cell_length_b 4.18959464 _cell_length_c 4.18959464 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaFe2P _chemical_formula_sum 'Ta1 Fe2 P1' _cell_volume 51.99972152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.96249078 2.96249078 2.96249078 1 Fe Fe1 1 4.44373617 4.44373617 4.44373617 1 P P2 1 -0.00000000 -0.00000000 0.00000000 1 Ta Ta3 1 1.48124539 1.48124539 1.48124539 1 [/CIF]
Fe2PTa
F-43m
216
cubic
-43m
10,334.089457
false
[CIF] data_SnPdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38778443 _cell_length_b 4.38778443 _cell_length_c 3.07033481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPdRh _chemical_formula_sum 'Sn1 Pd1 Rh1' _cell_volume 51.19256998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 -0.00000002 2.53328853 2.93030937 1 Rh Rh1 1 0.00000000 0.00000000 1.16143280 1 Sn Sn2 1 2.19389219 1.26664427 2.04892745 1 [/CIF]
PdRhSn
P3m1
156
trigonal
3m
10,640.523881
false
[CIF] data_Ti2PdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70559108 _cell_length_b 4.70559108 _cell_length_c 3.01099761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2PdBr _chemical_formula_sum 'Ti2 Pd1 Br1' _cell_volume 66.67127778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.35279554 2.35279554 0.00000000 1 Ti Ti2 1 2.35279554 0.00000000 1.50549881 1 Ti Ti3 1 0.00000000 2.35279554 1.50549881 1 [/CIF]
BrPdTi2
P4/mmm
123
tetragonal
4/mmm
7,025.039022
false
[CIF] data_SrZnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99921144 _cell_length_b 9.99921144 _cell_length_c 9.99921144 _cell_angle_alpha 26.60296543 _cell_angle_beta 26.60296543 _cell_angle_gamma 26.60296543 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnBr2 _chemical_formula_sum 'Sr1 Zn1 Br2' _cell_volume 176.73909004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.38947135 1 Br Br1 1 -0.00000000 -0.00000000 22.53018837 1 Sr Sr2 1 -0.00000000 -0.00000000 14.45982986 1 Zn Zn3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
Br2SrZn
R-3m
166
trigonal
-3m
2,949.363352
false
[CIF] data_Ba2MgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13023190 _cell_length_b 4.27743037 _cell_length_c 8.41595060 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.63234833 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MgZn _chemical_formula_sum 'Ba2 Mg1 Zn1' _cell_volume 148.62240575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84386775 2.13871519 6.15909137 1 Ba Ba1 1 2.04662739 2.13871519 2.25344397 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 -0.11986838 0.00000000 4.20626767 1 [/CIF]
Ba2MgZn
P2/m
10
monoclinic
2/m
4,070.712891
false
[CIF] data_Mn3CoHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93946411 _cell_length_b 4.93946411 _cell_length_c 4.93946411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3CoHg _chemical_formula_sum 'Mn3 Co1 Hg1' _cell_volume 120.51455532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.46973206 0.00000000 2.46973206 1 Mn Mn1 1 2.46973206 2.46973206 0.00000000 1 Mn Mn2 1 0.00000000 2.46973206 2.46973206 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 Hg Hg4 1 2.46973206 2.46973206 2.46973206 1 [/CIF]
CoHgMn3
Pm-3m
221
cubic
m-3m
5,846.834949
false
[CIF] data_LaSc2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34958034 _cell_length_b 3.34958034 _cell_length_c 8.70993541 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.85479399 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSc2Os _chemical_formula_sum 'La1 Sc2 Os1' _cell_volume 97.67156127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.82866472 1 Os Os1 1 2.32986536 0.00000000 1.92059694 1 Sc Sc2 1 0.00000000 0.00000000 0.48324298 1 Sc Sc3 1 2.32986536 0.00000000 6.83239856 1 [/CIF]
LaOsSc2
Cmm2
35
orthorhombic
mm2
7,124.329676
false
[CIF] data_ReSiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77794633 _cell_length_b 3.77794633 _cell_length_c 4.13956197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSiPt2 _chemical_formula_sum 'Re1 Si1 Pt2' _cell_volume 59.08346493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 1.88897316 2.06978098 1 Pt Pt1 1 1.88897316 0.00000000 2.06978098 1 Re Re2 1 1.88897316 1.88897316 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pt2ReSi
P4/mmm
123
tetragonal
4/mmm
16,988.344805
false
[CIF] data_TiNbMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53482011 _cell_length_b 4.53482011 _cell_length_c 4.53482011 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbMoW _chemical_formula_sum 'Ti1 Nb1 Mo1 W1' _cell_volume 65.94246740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.80990308 4.80990308 4.80990308 1 Nb Nb1 1 1.60330103 1.60330103 1.60330103 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.20660205 3.20660205 3.20660205 1 [/CIF]
MoNbTiW
F-43m
216
cubic
-43m
10,590.724846
false
[CIF] data_HfBTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02652614 _cell_length_b 4.02652614 _cell_length_c 4.10240527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBTe _chemical_formula_sum 'Hf1 B1 Te1' _cell_volume 57.60102869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.01326307 1.16235798 0.00000000 1 Te Te2 1 -0.00000000 2.32471595 2.05120264 1 [/CIF]
BHfTe
P-6m2
187
hexagonal
-6m2
9,135.713424
false
[CIF] data_NaYZrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93628461 _cell_length_b 4.93628461 _cell_length_c 4.93628461 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYZrRh _chemical_formula_sum 'Na1 Y1 Zr1 Rh1' _cell_volume 85.05220491 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.49048032 3.49048032 3.49048032 1 Y Y2 1 1.74524016 1.74524016 1.74524016 1 Zr Zr3 1 5.23572048 5.23572048 5.23572048 1 [/CIF]
NaRhYZr
F-43m
216
cubic
-43m
5,974.761812
false
[CIF] data_ZrGaIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32494659 _cell_length_b 3.32494659 _cell_length_c 5.93026252 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGaIr2 _chemical_formula_sum 'Zr1 Ga1 Ir2' _cell_volume 65.56065230 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.66247330 1.66247330 1.40303796 1 Ir Ir2 1 1.66247330 1.66247330 4.52722456 1 Zr Zr3 1 0.00000000 0.00000000 2.96513126 1 [/CIF]
GaIr2Zr
P4/mmm
123
tetragonal
4/mmm
13,813.566902
false
[CIF] data_YInReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72919949 _cell_length_b 4.72919949 _cell_length_c 4.72919949 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YInReOs _chemical_formula_sum 'Y1 In1 Re1 Os1' _cell_volume 74.79075284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01607354 5.01607354 5.01607354 1 Os Os1 1 3.34404903 3.34404903 3.34404903 1 Re Re2 1 1.67202451 1.67202451 1.67202451 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InOsReY
F-43m
216
cubic
-43m
12,881.000923
false
[CIF] data_DyCuPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60001387 _cell_length_b 4.60001387 _cell_length_c 4.60001387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyCuPd2 _chemical_formula_sum 'Dy1 Cu1 Pd2' _cell_volume 68.82756817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Dy Dy1 1 3.25270100 3.25270100 3.25270100 1 Pd Pd2 1 4.87905150 4.87905150 4.87905150 1 Pd Pd3 1 1.62635050 1.62635050 1.62635050 1 [/CIF]
CuDyPd2
Fm-3m
225
cubic
m-3m
10,588.596519
false
[CIF] data_ZrSc2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07554104 _cell_length_b 5.07554104 _cell_length_c 3.10733140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.21637213 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc2B _chemical_formula_sum 'Zr1 Sc2 B1' _cell_volume 74.62268596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 1.43345742 2.09415353 1.55366570 1 Sc Sc2 1 1.43345742 -2.09415354 1.55366570 1 Zr Zr3 1 2.86691484 -0.00000000 0.00000000 1 [/CIF]
BSc2Zr
Cmmm
65
orthorhombic
mmm
4,271.290907
false
[CIF] data_TbPm2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22250542 _cell_length_b 5.22250542 _cell_length_c 5.22250542 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbPm2Ru _chemical_formula_sum 'Tb1 Pm2 Ru1' _cell_volume 100.72138783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pm Pm0 1 5.53930350 5.53930350 5.53930350 1 Pm Pm1 1 1.84643450 1.84643450 1.84643450 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Tb Tb3 1 3.69286900 3.69286900 3.69286900 1 [/CIF]
Pm2RuTb
Fm-3m
225
cubic
m-3m
9,067.475983
false
[CIF] data_Sc3AlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99197754 _cell_length_b 4.99197754 _cell_length_c 4.99197754 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3AlZn _chemical_formula_sum 'Sc3 Al1 Zn1' _cell_volume 124.39928038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.49598877 0.00000000 2.49598877 1 Sc Sc1 1 2.49598877 2.49598877 0.00000000 1 Sc Sc2 1 0.00000000 2.49598877 2.49598877 1 Zn Zn3 1 2.49598877 2.49598877 2.49598877 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlSc3Zn
Pm-3m
221
cubic
m-3m
3,033.161337
false
[CIF] data_NaAgCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98642527 _cell_length_b 4.98642527 _cell_length_c 4.98642527 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAgCl2 _chemical_formula_sum 'Na1 Ag1 Cl2' _cell_volume 87.67039145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76296756 1.76296756 1.76296756 1 Cl Cl1 1 5.28890268 5.28890268 5.28890268 1 Cl Cl2 1 3.52593512 3.52593512 3.52593512 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCl2Na
F-43m
216
cubic
-43m
3,821.551925
false
[CIF] data_NaLaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89924679 _cell_length_b 4.89924679 _cell_length_c 4.89924679 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaCu2 _chemical_formula_sum 'Na1 La1 Cu2' _cell_volume 83.15204858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73214531 1.73214531 1.73214531 1 Cu Cu1 1 3.46429063 3.46429063 3.46429063 1 La La2 1 5.19643595 5.19643595 5.19643595 1 Na Na3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Cu2LaNa
F-43m
216
cubic
-43m
5,771.049647
false
[CIF] data_Cu2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64672684 _cell_length_b 4.44803859 _cell_length_c 4.63688166 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.29223414 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2IrRu _chemical_formula_sum 'Cu2 Ir1 Ru1' _cell_volume 54.57493326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93777163 2.22401930 1.15037759 1 Cu Cu1 1 0.60438504 2.22401930 3.48532479 1 Ir Ir2 1 1.27107834 0.00000000 2.31785119 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2IrRu
P2/m
10
monoclinic
2/m
12,790.776105
false
[CIF] data_Ba2AlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85493948 _cell_length_b 4.04152543 _cell_length_c 7.97823973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2AlIr _chemical_formula_sum 'Ba2 Al1 Ir1' _cell_volume 124.29966621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 1.92746974 2.02076272 2.24552185 1 Ba Ba2 1 1.92746974 2.02076272 5.73271788 1 Ir Ir3 1 0.00000000 0.00000000 3.98911986 1 [/CIF]
AlBa2Ir
Pmmm
47
orthorhombic
mmm
6,597.530121
false
[CIF] data_YInOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87441689 _cell_length_b 5.87441689 _cell_length_c 5.87441689 _cell_angle_alpha 145.74355272 _cell_angle_beta 145.74355272 _cell_angle_gamma 49.22783063 _symmetry_Int_Tables_number 1 _chemical_formula_structural YInOs _chemical_formula_sum 'Y1 In1 Os1' _cell_volume 63.94197022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.42291302 1 Os Os1 1 0.00000000 -0.00000000 3.62605194 1 Y Y2 1 0.00000000 -0.00000000 7.31358659 1 [/CIF]
InOsY
I4mm
107
tetragonal
4mm
10,230.812782
false
[CIF] data_Mg3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11761331 _cell_length_b 6.11761331 _cell_length_c 6.11761331 _cell_angle_alpha 148.75101974 _cell_angle_beta 63.20472310 _cell_angle_gamma 126.57559456 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Sn _chemical_formula_sum 'Mg3 Sn1' _cell_volume 94.43243506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.81720878 0.91912700 1 Mg Mg1 1 0.00000000 -0.00000000 2.75561637 1 Mg Mg2 1 -0.00000000 2.60359902 0.91912700 1 Sn Sn3 1 0.00000000 5.21040390 2.73925977 1 [/CIF]
Mg3Sn
Imm2
44
orthorhombic
mm2
3,369.613401
false
[CIF] data_InRh2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87525800 _cell_length_b 4.65863198 _cell_length_c 4.80889936 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.67921237 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRh2W _chemical_formula_sum 'In1 Rh2 W1' _cell_volume 64.34368433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.80501607 0.00000000 3.95582190 1 Rh Rh1 1 2.21331584 2.32931599 4.48177885 1 Rh Rh2 1 2.47452019 0.00000000 1.50215097 1 W W3 1 1.13332446 2.32931599 2.06935516 1 [/CIF]
InRh2W
Pm
6
monoclinic
m
13,019.000873
false
[CIF] data_HfCdFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41070383 _cell_length_b 4.41070383 _cell_length_c 4.41070383 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdFe _chemical_formula_sum 'Hf1 Cd1 Fe1' _cell_volume 60.67484747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67825789 4.67825789 4.67825788 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 3.11883859 3.11883859 3.11883859 1 [/CIF]
CdFeHf
F-43m
216
cubic
-43m
9,489.686471
false
[CIF] data_CrPdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40556412 _cell_length_b 3.40556412 _cell_length_c 5.76004188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrPdAu2 _chemical_formula_sum 'Cr1 Pd1 Au2' _cell_volume 66.80419950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70278206 1.70278206 4.35878440 1 Au Au1 1 1.70278206 1.70278206 1.40125748 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 2.88002094 1 [/CIF]
Au2CrPd
P4/mmm
123
tetragonal
4/mmm
13,729.638182
false
[CIF] data_FeCu2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86041404 _cell_length_b 3.86041404 _cell_length_c 3.98362239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCu2Te _chemical_formula_sum 'Fe1 Cu2 Te1' _cell_volume 59.36711405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93020702 0.00000000 1.99181120 1 Cu Cu1 1 0.00000000 1.93020702 1.99181120 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 1.93020702 1.93020702 0.00000000 1 [/CIF]
Cu2FeTe
P4/mmm
123
tetragonal
4/mmm
8,685.933759
false
[CIF] data_BaZrIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49948898 _cell_length_b 5.49948898 _cell_length_c 5.49948898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrIn2 _chemical_formula_sum 'Ba1 Zr1 In2' _cell_volume 117.61210157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.83308893 5.83308893 5.83308893 1 In In1 1 1.94436297 1.94436297 1.94436297 1 In In2 1 3.88872595 3.88872595 3.88872595 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaIn2Zr
F-43m
216
cubic
-43m
6,469.040202
false
[CIF] data_Ca2BeNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31313426 _cell_length_b 6.31313426 _cell_length_c 5.25942818 _cell_angle_alpha 114.18321576 _cell_angle_beta 114.18321576 _cell_angle_gamma 29.81249387 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2BeNb _chemical_formula_sum 'Ca2 Be1 Nb1' _cell_volume 94.38682182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.10949689 -0.00000000 3.48067603 1 Ca Ca1 1 9.58943580 -0.00000000 4.55428253 1 Ca Ca2 1 8.64539218 -0.00000000 1.23041041 1 Nb Nb3 1 5.58513634 0.00000000 2.64327660 1 [/CIF]
BeCa2Nb
Cm
8
monoclinic
m
3,203.221778
false
[CIF] data_BaNiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24500677 _cell_length_b 3.64323210 _cell_length_c 6.90470697 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNiPd2 _chemical_formula_sum 'Ba1 Ni1 Pd2' _cell_volume 81.62960579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62250339 1.82161605 3.48497160 1 Ni Ni1 1 0.00000000 0.00000000 5.73636399 1 Pd Pd2 1 1.62250339 1.82161605 6.69782124 1 Pd Pd3 1 0.00000000 0.00000000 1.34261060 1 [/CIF]
BaNiPd2
Pmm2
25
orthorhombic
mm2
8,317.186643
false
[CIF] data_SrFeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16168678 _cell_length_b 3.16168678 _cell_length_c 6.66008189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFeP2 _chemical_formula_sum 'Sr1 Fe1 P2' _cell_volume 66.57593214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.58084339 1.58084339 1.14337908 1 P P2 1 1.58084339 1.58084339 5.51670281 1 Sr Sr3 1 0.00000000 0.00000000 3.33004094 1 [/CIF]
FeP2Sr
P4/mmm
123
tetragonal
4/mmm
5,123.884706
false
[CIF] data_RbNdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35568600 _cell_length_b 4.35568600 _cell_length_c 4.35568600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbNdO3 _chemical_formula_sum 'Rb1 Nd1 O3' _cell_volume 82.63607710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17784300 2.17784300 2.17784300 1 O O1 1 0.00000000 0.00000000 2.17784300 1 O O2 1 0.00000000 2.17784300 0.00000000 1 O O3 1 2.17784300 0.00000000 0.00000000 1 Rb Rb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NdO3Rb
Pm-3m
221
cubic
m-3m
5,580.431686
false
[CIF] data_NaGeOs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23984669 _cell_length_b 5.23984669 _cell_length_c 5.23984669 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGeOs4 _chemical_formula_sum 'Na1 Ge1 Os4' _cell_volume 101.72805578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.55769670 5.55769670 5.55769670 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.62955920 4.62955920 2.78070306 1 Os Os3 1 4.62955920 2.78070306 4.62955920 1 Os Os4 1 2.78070306 4.62955920 4.62955920 1 Os Os5 1 2.78070306 2.78070306 2.78070306 1 [/CIF]
GeNaOs4
F-43m
216
cubic
-43m
13,981.731426
false
[CIF] data_Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83410020 _cell_length_b 2.83410020 _cell_length_c 2.83410020 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo _chemical_formula_sum Mo1 _cell_volume 16.09646851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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]
Mo
Fm-3m
225
cubic
m-3m
9,899.396797
false
[CIF] data_InAs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89737120 _cell_length_b 5.31728380 _cell_length_c 5.46286779 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.59763517 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAs2Au _chemical_formula_sum 'In1 As2 Au1' _cell_volume 84.15715476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12640739 2.65864190 4.83578308 1 As As1 1 2.32371306 0.00000000 4.72265412 1 Au Au2 1 2.08340052 2.65864190 2.10087276 1 In In3 1 0.56745573 0.00000000 1.99711658 1 [/CIF]
As2AuIn
Pm
6
monoclinic
m
9,108.56536
false
[CIF] data_KRe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16998421 _cell_length_b 3.16998421 _cell_length_c 9.25232815 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRe2Pb _chemical_formula_sum 'K1 Re2 Pb1' _cell_volume 92.97479411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 4.38939765 1 Pb Pb1 1 1.58499211 1.58499211 7.44252891 1 Re Re2 1 0.00000000 0.00000000 0.39373014 1 Re Re3 1 1.58499211 1.58499211 1.65283553 1 [/CIF]
KPbRe2
P4mm
99
tetragonal
4mm
11,050.271321
false
[CIF] data_BaTaFeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69136772 _cell_length_b 4.69136772 _cell_length_c 4.69136772 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaFeIr _chemical_formula_sum 'Ba1 Ta1 Fe1 Ir1' _cell_volume 73.01018162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65864897 1.65864897 1.65864896 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 4.97594690 4.97594690 4.97594689 1 Ta Ta3 1 3.31729793 3.31729793 3.31729793 1 [/CIF]
BaFeIrTa
F-43m
216
cubic
-43m
12,880.73106
false
[CIF] data_CaF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89936701 _cell_length_b 3.89936701 _cell_length_c 3.89936701 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaF2 _chemical_formula_sum 'Ca1 F2' _cell_volume 41.92444702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 F F1 1 4.13590329 4.13590329 4.13590329 1 F F2 1 1.37863443 1.37863443 1.37863443 1 [/CIF]
CaF2
Fm-3m
225
cubic
m-3m
3,093.037929
false
[CIF] data_BaSrZnCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23112535 _cell_length_b 5.23112535 _cell_length_c 5.23112535 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrZnCo _chemical_formula_sum 'Ba1 Sr1 Zn1 Co1' _cell_volume 101.22094402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84948211 1.84948211 1.84948211 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.69896421 3.69896421 3.69896421 1 Zn Zn3 1 5.54844632 5.54844632 5.54844632 1 [/CIF]
BaCoSrZn
F-43m
216
cubic
-43m
5,729.646209
false
[CIF] data_ZrTi2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44043348 _cell_length_b 3.44043348 _cell_length_c 6.75348778 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi2Tl _chemical_formula_sum 'Zr1 Ti2 Tl1' _cell_volume 79.93821548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 1.72021674 1.72021674 1.65805939 1 Ti Ti1 1 1.72021674 1.72021674 5.09542839 1 Tl Tl2 1 0.00000000 0.00000000 3.37674389 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ti2TlZr
P4/mmm
123
tetragonal
4/mmm
8,129.247234
false
[CIF] data_BaScTl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41130083 _cell_length_b 6.41130083 _cell_length_c 6.41130083 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScTl4 _chemical_formula_sum 'Ba1 Sc1 Tl4' _cell_volume 186.34745551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.80021144 6.80021144 6.80021144 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.67099311 5.67099311 3.39595547 1 Tl Tl3 1 5.67099311 3.39595547 5.67099311 1 Tl Tl4 1 3.39595547 5.67099311 5.67099311 1 Tl Tl5 1 3.39595547 3.39595547 3.39595547 1 [/CIF]
BaScTl4
F-43m
216
cubic
-43m
8,909.344691
false
[CIF] data_SiGeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11439180 _cell_length_b 4.18019105 _cell_length_c 6.23261355 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiGeCl2 _chemical_formula_sum 'Si1 Ge1 Cl2' _cell_volume 81.14085466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55719590 2.09009553 1.54818495 1 Cl Cl1 1 1.55719590 2.09009553 4.68442860 1 Ge Ge2 1 0.00000000 0.00000000 3.11630677 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2GeSi
Pmmm
47
orthorhombic
mmm
3,512.420617
false
[CIF] data_Hf2TcCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76505345 _cell_length_b 5.76505345 _cell_length_c 5.76505345 _cell_angle_alpha 141.76239390 _cell_angle_beta 141.76239390 _cell_angle_gamma 55.18687460 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TcCl _chemical_formula_sum 'Hf2 Tc1 Cl1' _cell_volume 72.86623807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.88821637 -0.00000000 2.55465845 1 Hf Hf2 1 0.00000000 0.00000000 5.10931690 1 Tc Tc3 1 0.00000000 1.88821637 2.55465845 1 [/CIF]
ClHf2Tc
I-4m2
119
tetragonal
-42m
11,197.064074
false
[CIF] data_Cr2FeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37261043 _cell_length_b 4.37261043 _cell_length_c 4.37261043 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2FeBi _chemical_formula_sum 'Cr2 Fe1 Bi1' _cell_volume 59.11631599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09190249 3.09190249 3.09190249 1 Cr Cr1 1 4.63785373 4.63785373 4.63785373 1 Cr Cr2 1 1.54595124 1.54595124 1.54595124 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCr2Fe
Fm-3m
225
cubic
m-3m
10,359.84775
false
[CIF] data_AlSnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01026595 _cell_length_b 5.01026595 _cell_length_c 2.92988686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.96904152 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSnMo2 _chemical_formula_sum 'Al1 Sn1 Mo2' _cell_volume 68.20763708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.40141362 2.07647083 1.46494343 1 Mo Mo2 1 1.40141362 -2.07647082 1.46494343 1 Sn Sn3 1 2.80282724 -0.00000000 0.00000000 1 [/CIF]
AlMo2Sn
Cmmm
65
orthorhombic
mmm
8,219.272403
false
[CIF] data_TaAgPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19399477 _cell_length_b 5.19399477 _cell_length_c 5.19399477 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAgPd4 _chemical_formula_sum 'Ta1 Ag1 Pd4' _cell_volume 99.08080466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 4.59015523 4.59015523 2.75526261 1 Pd Pd2 1 4.59015523 2.75526261 4.59015523 1 Pd Pd3 1 2.75526261 4.59015523 4.59015523 1 Pd Pd4 1 2.75526261 2.75526261 2.75526261 1 Ta Ta5 1 5.50906338 5.50906338 5.50906338 1 [/CIF]
AgPd4Ta
F-43m
216
cubic
-43m
11,974.556099
false
[CIF] data_Sr3U _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66782179 _cell_length_b 6.66782179 _cell_length_c 6.66782179 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3U _chemical_formula_sum 'Sr3 U1' _cell_volume 209.62204483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.07229300 7.07229300 7.07229300 1 Sr Sr1 1 2.35743100 2.35743100 2.35743100 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 U U3 1 4.71486200 4.71486200 4.71486200 1 [/CIF]
Sr3U
Fm-3m
225
cubic
m-3m
3,967.834603
false
[CIF] data_BaNb2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03673730 _cell_length_b 5.03673730 _cell_length_c 5.03673730 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNb2Ge _chemical_formula_sum 'Ba1 Nb2 Ge1' _cell_volume 90.35098724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.34226665 5.34226665 5.34226665 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.78075555 1.78075555 1.78075555 1 Nb Nb3 1 3.56151110 3.56151110 3.56151110 1 [/CIF]
BaGeNb2
F-43m
216
cubic
-43m
7,273.94103
false
[CIF] data_LaCrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89221761 _cell_length_b 4.89221761 _cell_length_c 4.89221761 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrAu _chemical_formula_sum 'La1 Cr1 Au1' _cell_volume 82.79465542 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72966012 1.72966012 1.72966012 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 3.45932025 3.45932025 3.45932025 1 [/CIF]
AuCrLa
F-43m
216
cubic
-43m
7,779.127701
false
[CIF] data_Al4SiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52187222 _cell_length_b 5.52187222 _cell_length_c 5.52187222 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al4SiPb _chemical_formula_sum 'Al4 Si1 Pb1' _cell_volume 119.05401857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88455126 4.88455126 2.92455532 1 Al Al1 1 4.88455126 2.92455532 4.88455126 1 Al Al2 1 2.92455532 4.88455126 4.88455126 1 Al Al3 1 2.92455532 2.92455532 2.92455532 1 Pb Pb4 1 5.85682994 5.85682994 5.85682993 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al4PbSi
F-43m
216
cubic
-43m
4,787.040094
false
[CIF] data_ZrP2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37974474 _cell_length_b 4.37974474 _cell_length_c 3.16363844 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrP2Rh _chemical_formula_sum 'Zr1 P2 Rh1' _cell_volume 60.68543135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 2.18987237 1.58181922 1 P P1 1 2.18987237 0.00000000 1.58181922 1 Rh Rh2 1 2.18987237 2.18987237 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2RhZr
P4/mmm
123
tetragonal
4/mmm
7,007.050835
false
[CIF] data_AgBAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33192841 _cell_length_b 4.33192841 _cell_length_c 3.39738835 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBAu2 _chemical_formula_sum 'Ag1 B1 Au2' _cell_volume 63.75404356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16596420 2.16596420 0.00000000 1 Au Au1 1 2.16596420 0.00000000 1.69869417 1 Au Au2 1 0.00000000 2.16596420 1.69869417 1 B B3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgAu2B
P4/mmm
123
tetragonal
4/mmm
13,351.510991
false
[CIF] data_CdNi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31130396 _cell_length_b 4.31130396 _cell_length_c 5.39235949 _cell_angle_alpha 101.74577870 _cell_angle_beta 101.74577870 _cell_angle_gamma 43.65650030 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNi2Sb _chemical_formula_sum 'Cd1 Ni2 Sb1' _cell_volume 67.50766863 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.72152858 0.00000000 1.48677948 1 Ni Ni2 1 1.10035790 -0.00000000 3.77432569 1 Sb Sb3 1 3.41094324 -0.00000000 2.63055259 1 [/CIF]
CdNi2Sb
C2/m
12
monoclinic
2/m
8,647.542908
false
[CIF] data_Ag2RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09564865 _cell_length_b 5.09564865 _cell_length_c 5.09564865 _cell_angle_alpha 131.29902320 _cell_angle_beta 129.88837007 _cell_angle_gamma 72.46533512 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2RhPb _chemical_formula_sum 'Ag2 Rh1 Pb1' _cell_volume 74.54443314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15801202 4.09225698 1 Ag Ag1 1 0.00000000 -0.00000000 2.07637029 1 Pb Pb2 1 0.00000000 2.15801202 0.02657232 1 Rh Rh3 1 0.00000000 -0.00000000 6.13560931 1 [/CIF]
Ag2PbRh
Imm2
44
orthorhombic
mm2
11,713.564394
false
[CIF] data_Na2CrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94716609 _cell_length_b 5.94716609 _cell_length_c 3.01388662 _cell_angle_alpha 102.95622864 _cell_angle_beta 102.95622864 _cell_angle_gamma 123.42480429 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CrPd _chemical_formula_sum 'Na2 Cr1 Pd1' _cell_volume 78.38038808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 0.69622104 2.61847762 1.32762056 1 Na Na2 1 0.69622104 -2.61847762 1.32762056 1 Pd Pd3 1 2.81834780 -0.00000000 0.00000000 1 [/CIF]
CrNa2Pd
C2/m
12
monoclinic
2/m
4,330.253411
false
[CIF] data_BiTeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41325722 _cell_length_b 4.73868734 _cell_length_c 6.82970638 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.74880593 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiTeCl2 _chemical_formula_sum 'Bi1 Te1 Cl2' _cell_volume 108.15182460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.69533701 0.00000000 3.34331104 1 Cl Cl1 1 0.09163427 2.36934367 4.80004783 1 Cl Cl2 1 1.93094893 2.36934367 1.88657425 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCl2Te
P2/m
10
monoclinic
2/m
6,256.455578
false
[CIF] data_Mg3Si4(HO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54140032 _cell_length_b 6.77944658 _cell_length_c 8.19172747 _cell_angle_alpha 95.94678754 _cell_angle_beta 95.22334524 _cell_angle_gamma 92.72190980 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Si4(HO6)2 _chemical_formula_sum 'Mg3 Si4 H2 O12' _cell_volume 249.39661727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy H H0 1 2.95275390 3.84637184 6.88695209 1 H H1 1 0.52093988 2.04031040 1.22259841 1 Mg Mg2 1 3.49400748 0.69574931 5.57295128 1 Mg Mg3 1 -0.02031371 5.19093293 2.53659922 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 O O5 1 2.24306241 4.41851328 7.28604342 1 O O6 1 1.23063137 1.46816895 0.82350707 1 O O7 1 3.41865456 4.56053266 4.09035062 1 O O8 1 0.05503922 1.32614958 4.01919988 1 O O9 1 1.18206866 4.73249456 4.11009105 1 O O10 1 2.29162512 1.15418767 3.99945944 1 O O11 1 0.02737651 3.36352944 6.32839654 1 O O12 1 3.44631727 2.52315280 1.78115396 1 O O13 1 -0.23568881 5.97174692 6.23738829 1 O O14 1 3.70938259 -0.08506469 1.87216220 1 O O15 1 0.77747806 5.14552063 0.75021881 1 O O16 1 2.69621572 0.74116161 7.35933169 1 Si Si17 1 0.01772102 4.69937246 5.26970301 1 Si Si18 1 3.45597275 1.18730977 2.83984749 1 Si Si19 1 0.92125007 3.51000217 7.75649215 1 Si Si20 1 2.55244370 2.37668006 0.35305834 1 [/CIF]
H2Mg3O12Si4
P-1
2
triclinic
-1
2,525.23665
false
[CIF] data_Zn2SiTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28744982 _cell_length_b 4.28744982 _cell_length_c 4.28744982 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2SiTc _chemical_formula_sum 'Zn2 Si1 Tc1' _cell_volume 55.72911570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 1.51584242 1.51584242 1.51584242 1 Zn Zn2 1 3.03168484 3.03168484 3.03168484 1 Zn Zn3 1 4.54752726 4.54752726 4.54752726 1 [/CIF]
SiTcZn2
F-43m
216
cubic
-43m
7,680.128456
false
[CIF] data_VCuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34757303 _cell_length_b 6.34757303 _cell_length_c 6.34757303 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCuO3 _chemical_formula_sum 'V4 Cu4 O12' _cell_volume 196.87983139 _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 V V0 1 1.83238650 1.83238650 -1.83238650 1 V V1 1 -1.83238650 1.83238650 1.83238650 1 V V2 1 1.83238650 -1.83238650 1.83238650 1 V V3 1 1.83238650 1.83238650 1.83238650 1 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1 Cu Cu5 1 0.00000000 3.66477300 -0.00000000 1 Cu Cu6 1 3.66477300 0.00000000 -0.00000000 1 Cu Cu7 1 0.00000000 -0.00000000 3.66477300 1 O O8 1 2.33819480 3.66477300 -1.44308133 1 O O9 1 1.32657820 0.00000000 5.10785433 1 O O10 1 2.33819480 3.66477300 1.44308133 1 O O11 1 1.32657820 -0.00000000 2.22169167 1 O O12 1 3.66477300 -1.44308133 2.33819480 1 O O13 1 -0.00000000 5.10785433 1.32657820 1 O O14 1 3.66477300 1.44308133 2.33819480 1 O O15 1 -0.00000000 2.22169167 1.32657820 1 O O16 1 -1.44308133 2.33819480 3.66477300 1 O O17 1 5.10785433 1.32657820 0.00000000 1 O O18 1 1.44308133 2.33819480 3.66477300 1 O O19 1 2.22169167 1.32657820 0.00000000 1 [/CIF]
Cu4O12V4
Im-3
204
cubic
m-3
5,481.797718
false
[CIF] data_Al2CuRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27999110 _cell_length_b 4.27999110 _cell_length_c 4.27999110 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CuRe _chemical_formula_sum 'Al2 Cu1 Re1' _cell_volume 55.43877174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51320536 1.51320536 1.51320536 1 Al Al1 1 4.53961609 4.53961609 4.53961609 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.02641073 3.02641073 3.02641073 1 [/CIF]
Al2CuRe
Fm-3m
225
cubic
m-3m
9,097.10651
false
[CIF] data_ScCu2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77216417 _cell_length_b 2.77216417 _cell_length_c 6.57181884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCu2B _chemical_formula_sum 'Sc1 Cu2 B1' _cell_volume 50.50373239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.38608208 1.38608208 1.19777379 1 Cu Cu2 1 1.38608208 1.38608208 5.37404505 1 Sc Sc3 1 0.00000000 0.00000000 3.28590942 1 [/CIF]
BCu2Sc
P4/mmm
123
tetragonal
4/mmm
6,012.315381
false
[CIF] data_NaSr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20330293 _cell_length_b 6.20330293 _cell_length_c 6.20330293 _cell_angle_alpha 135.09310610 _cell_angle_beta 135.09310610 _cell_angle_gamma 65.38556801 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr2Rh _chemical_formula_sum 'Na1 Sr2 Rh1' _cell_volume 117.21881565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.36924393 -0.00000000 2.61028417 1 Sr Sr2 1 0.00000000 -0.00000000 5.22056833 1 Sr Sr3 1 0.00000000 2.36924393 2.61028417 1 [/CIF]
NaRhSr2
I-4m2
119
tetragonal
-42m
4,265.92673
false
[CIF] data_SrPdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95597558 _cell_length_b 4.95597558 _cell_length_c 4.95597558 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPdAu2 _chemical_formula_sum 'Sr1 Pd1 Au2' _cell_volume 86.07409705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.25660591 5.25660591 5.25660591 1 Au Au1 1 3.50440394 3.50440394 3.50440394 1 Pd Pd2 1 1.75220197 1.75220197 1.75220197 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2PdSr
F-43m
216
cubic
-43m
11,343.16129
false
[CIF] data_ScCr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26384580 _cell_length_b 5.26384580 _cell_length_c 2.78692364 _cell_angle_alpha 100.54688118 _cell_angle_beta 100.54688118 _cell_angle_gamma 119.61455792 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCr2Au _chemical_formula_sum 'Sc1 Cr2 Au1' _cell_volume 62.52856622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64724145 -0.00000000 0.00000000 1 Cr Cr1 1 0.81645409 -2.27487282 1.29788977 1 Cr Cr2 1 0.81645409 2.27487282 1.29788977 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCr2Sc
C2/m
12
monoclinic
2/m
9,186.278787
false
[CIF] data_Na2MnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13421066 _cell_length_b 5.19753569 _cell_length_c 5.93580735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MnIn _chemical_formula_sum 'Na2 Mn1 In1' _cell_volume 96.69532130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.96790368 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.56710533 2.59876785 1.46458306 1 Na Na3 1 1.56710533 2.59876785 4.47122429 1 [/CIF]
InMnNa2
Pmmm
47
orthorhombic
mmm
3,704.805566
false
[CIF] data_Ca2YMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53754144 _cell_length_b 4.53754144 _cell_length_c 5.19876267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2YMn _chemical_formula_sum 'Ca2 Y1 Mn1' _cell_volume 107.03879233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26877072 0.00000000 2.59938133 1 Ca Ca1 1 0.00000000 2.26877072 2.59938133 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.26877072 2.26877072 0.00000000 1 [/CIF]
Ca2MnY
P4/mmm
123
tetragonal
4/mmm
3,475.321956
false
[CIF] data_TlZnFeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87514964 _cell_length_b 4.87514964 _cell_length_c 4.87514964 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnFeHg _chemical_formula_sum 'Tl1 Zn1 Fe1 Hg1' _cell_volume 81.93111293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 5.17087706 5.17087706 5.17087706 1 Tl Tl2 1 3.44725137 3.44725137 3.44725137 1 Zn Zn3 1 1.72362569 1.72362569 1.72362569 1 [/CIF]
FeHgTlZn
F-43m
216
cubic
-43m
10,664.725556
false
[CIF] data_Li2CoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16534188 _cell_length_b 4.16534188 _cell_length_c 2.85838391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CoW _chemical_formula_sum 'Li2 Co1 W1' _cell_volume 49.59316944 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 0.00000000 2.08267094 1.42919196 1 Li Li2 1 2.08267094 0.00000000 1.42919196 1 W W3 1 2.08267094 2.08267094 0.00000000 1 [/CIF]
CoLi2W
P4/mmm
123
tetragonal
4/mmm
8,593.642689
false
[CIF] data_BeInIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83212209 _cell_length_b 2.83212209 _cell_length_c 8.86100014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.82889392 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeInIr2 _chemical_formula_sum 'Be1 In1 Ir2' _cell_volume 61.65716350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67642198 1 In In1 1 1.41972178 0.00000000 2.30584552 1 Ir Ir2 1 0.00000000 0.00000000 8.76867330 1 Ir Ir3 1 1.41972178 0.00000000 6.40155955 1 [/CIF]
BeInIr2
Cmm2
35
orthorhombic
mm2
13,688.474826
false
[CIF] data_Sb2TeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76913900 _cell_length_b 5.76913900 _cell_length_c 3.34087876 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.27074865 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2TeCl _chemical_formula_sum 'Sb2 Te1 Cl1' _cell_volume 104.96408272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.66952480 2.35232399 1.67043938 1 Sb Sb2 1 1.66952480 -2.35232399 1.67043938 1 Te Te3 1 3.33904960 -0.00000000 0.00000000 1 [/CIF]
ClSb2Te
Cmmm
65
orthorhombic
mmm
6,432.013051
false
[CIF] data_Al2CoTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61001758 _cell_length_b 4.61001758 _cell_length_c 4.61001758 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CoTe _chemical_formula_sum 'Al2 Co1 Te1' _cell_volume 69.27758597 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 4.88966203 4.88966203 4.88966203 1 Co Co2 1 3.25977469 3.25977469 3.25977469 1 Te Te3 1 1.62988734 1.62988734 1.62988734 1 [/CIF]
Al2CoTe
F-43m
216
cubic
-43m
5,764.540577
false
[CIF] data_YNi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66401388 _cell_length_b 4.66401388 _cell_length_c 4.66401388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNi2Br _chemical_formula_sum 'Y1 Ni2 Br1' _cell_volume 71.74051730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29795584 3.29795584 3.29795584 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.64897792 1.64897792 1.64897792 1 Y Y3 1 4.94693376 4.94693376 4.94693376 1 [/CIF]
BrNi2Y
F-43m
216
cubic
-43m
6,624.439521
false
[CIF] data_ZrFe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02269491 _cell_length_b 4.02269491 _cell_length_c 5.09798374 _cell_angle_alpha 112.40869947 _cell_angle_beta 112.40869947 _cell_angle_gamma 58.54028183 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFe2Se _chemical_formula_sum 'Zr1 Fe2 Se1' _cell_volume 63.29459146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00203031 -0.00000000 0.49723572 1 Fe Fe1 1 4.69729217 -0.00000000 1.05387385 1 Se Se2 1 2.40124464 -0.00000000 1.82520789 1 Zr Zr3 1 0.08900286 -0.00000000 3.50182116 1 [/CIF]
Fe2SeZr
Cm
8
monoclinic
m
7,394.988704
false
[CIF] data_MnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84137199 _cell_length_b 4.84137199 _cell_length_c 6.10450210 _cell_angle_alpha 106.09690285 _cell_angle_beta 106.09690285 _cell_angle_gamma 29.54146412 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCr _chemical_formula_sum 'Mn3 Cr3' _cell_volume 67.58504055 _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 Cr Cr0 1 3.21605523 -0.00000000 1.58540243 1 Cr Cr1 1 5.63118295 0.00000000 1.92328189 1 Cr Cr2 1 1.91838103 0.00000000 3.95872948 1 Mn Mn3 1 -1.68445984 -0.00000000 5.78496963 1 Mn Mn4 1 -0.56549069 0.00000000 3.64064139 1 Mn Mn5 1 5.06047656 -0.00000000 5.52495080 1 [/CIF]
Cr3Mn3
Cm
8
monoclinic
m
7,881.99536
false
[CIF] data_TaTe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41507511 _cell_length_b 4.70239520 _cell_length_c 5.24130982 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTe2P _chemical_formula_sum 'Ta1 Te2 P1' _cell_volume 84.17036634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 1.70753756 0.00000000 2.62065491 1 Te Te2 1 1.70753756 2.35119760 0.00000000 1 Te Te3 1 0.00000000 2.35119760 2.62065491 1 [/CIF]
PTaTe2
Pmmm
47
orthorhombic
mmm
9,215.520487
false
[CIF] data_Co2GeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13478401 _cell_length_b 4.13478401 _cell_length_c 4.13478401 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2GeRu _chemical_formula_sum 'Co2 Ge1 Ru1' _cell_volume 49.98543610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 1.46186690 1.46186690 1.46186690 1 Ge Ge2 1 2.92373381 2.92373381 2.92373381 1 Ru Ru3 1 4.38560071 4.38560071 4.38560071 1 [/CIF]
Co2GeRu
F-43m
216
cubic
-43m
9,686.301136
false
[CIF] data_CaMnSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63888392 _cell_length_b 4.63888392 _cell_length_c 6.41872161 _cell_angle_alpha 102.25853189 _cell_angle_beta 102.25853189 _cell_angle_gamma 44.75123402 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnSn2 _chemical_formula_sum 'Ca1 Mn1 Sn2' _cell_volume 94.64673389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 3.55270897 -0.00000000 3.12361462 1 Sn Sn2 1 6.13600598 0.00000000 1.98766119 1 Sn Sn3 1 0.96941196 0.00000000 4.25956805 1 [/CIF]
CaMnSn2
C2/m
12
monoclinic
2/m
5,832.457362
false
[CIF] data_BiRhPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36046645 _cell_length_b 6.36046645 _cell_length_c 3.49296989 _cell_angle_alpha 104.56926609 _cell_angle_beta 104.56926609 _cell_angle_gamma 121.14654031 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiRhPb2 _chemical_formula_sum 'Bi1 Rh1 Pb2' _cell_volume 103.88555701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12496168 0.00000000 0.00000000 1 Pb Pb1 1 0.66828253 -2.76993447 1.50020633 1 Pb Pb2 1 0.66828253 2.76993448 1.50020633 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiPb2Rh
C2/m
12
monoclinic
2/m
11,609.179805
false
[CIF] data_KSr2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31557047 _cell_length_b 4.31557047 _cell_length_c 9.95528652 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSr2V _chemical_formula_sum 'K1 Sr2 V1' _cell_volume 185.40873432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.00450017 1 Sr Sr1 1 2.15778523 2.15778523 0.40379648 1 Sr Sr2 1 0.00000000 0.00000000 3.05495906 1 V V3 1 2.15778523 2.15778523 4.46967407 1 [/CIF]
KSr2V
P4mm
99
tetragonal
4mm
2,376.137878
false
[CIF] data_HfBeCrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35905428 _cell_length_b 4.35905428 _cell_length_c 4.35905428 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeCrRe _chemical_formula_sum 'Hf1 Be1 Cr1 Re1' _cell_volume 58.56819405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.54115842 1.54115842 1.54115842 1 Hf Hf2 1 3.08231684 3.08231684 3.08231684 1 Re Re3 1 4.62347526 4.62347526 4.62347526 1 [/CIF]
BeCrHfRe
F-43m
216
cubic
-43m
12,069.695218
false
[CIF] data_HfCrAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10067546 _cell_length_b 3.10067546 _cell_length_c 6.59271207 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrAs2 _chemical_formula_sum 'Hf1 Cr1 As2' _cell_volume 63.38357530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55033773 1.55033773 5.16725195 1 As As1 1 1.55033773 1.55033773 1.42546012 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 0.00000000 0.00000000 3.29635604 1 [/CIF]
As2CrHf
P4/mmm
123
tetragonal
4/mmm
9,963.963973
false
[CIF] data_LaY3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54646687 _cell_length_b 5.54646687 _cell_length_c 5.54646687 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaY3Au _chemical_formula_sum 'La1 Y3 Au1' _cell_volume 170.62759509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.77323343 0.00000000 1 Y Y1 1 0.00000000 0.00000000 2.77323343 1 Y Y2 1 2.77323343 0.00000000 0.00000000 1 Au Au3 1 2.77323343 2.77323343 2.77323343 1 La La4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLaY3
Pm-3m
221
cubic
m-3m
5,864.371195
false
[CIF] data_Mn2SbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31955893 _cell_length_b 3.31955893 _cell_length_c 6.35785457 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2SbAs _chemical_formula_sum 'Mn2 Sb1 As1' _cell_volume 70.06019717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.37717731 1 Mn Mn1 1 1.65977947 1.65977947 6.30181332 1 Mn Mn2 1 0.00000000 0.00000000 1.46210914 1 Sb Sb3 1 1.65977947 1.65977947 2.75353665 1 [/CIF]
AsMn2Sb
P4mm
99
tetragonal
4mm
7,265.992957
false
[CIF] data_ZrHg4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61759541 _cell_length_b 5.61759541 _cell_length_c 5.61759541 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHg4Ir _chemical_formula_sum 'Zr1 Hg4 Ir1' _cell_volume 125.35347405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.96389534 4.96389534 2.98058428 1 Hg Hg1 1 4.96389534 2.98058428 4.96389534 1 Hg Hg2 1 2.98058428 4.96389534 4.96389534 1 Hg Hg3 1 2.98058428 2.98058428 2.98058428 1 Ir Ir4 1 5.95835972 5.95835972 5.95835972 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg4IrZr
F-43m
216
cubic
-43m
14,383.446432
false
[CIF] data_NiIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74828770 _cell_length_b 8.74828770 _cell_length_c 8.74828770 _cell_angle_alpha 17.78011708 _cell_angle_beta 17.78011708 _cell_angle_gamma 17.78011708 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiIr2Ru _chemical_formula_sum 'Ni1 Ir2 Ru1' _cell_volume 54.50152535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 19.32732825 1 Ir Ir1 1 0.00000000 0.00000000 6.49629603 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 -0.00000000 0.00000000 12.91181214 1 [/CIF]
Ir2NiRu
R-3m
166
trigonal
-3m
16,580.47252
false
[CIF] data_Ca3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17755833 _cell_length_b 4.17755833 _cell_length_c 7.83959707 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Sn _chemical_formula_sum 'Ca3 Sn1' _cell_volume 136.81659790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08877917 2.08877917 5.58242350 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 2.08877917 2.08877917 2.25717357 1 Sn Sn3 1 0.00000000 0.00000000 3.91979854 1 [/CIF]
Ca3Sn
P4/mmm
123
tetragonal
4/mmm
2,900.056373
false
[CIF] data_Ga2FeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98655681 _cell_length_b 2.98655681 _cell_length_c 7.21943398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.56206928 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2FeCl _chemical_formula_sum 'Ga2 Fe1 Cl1' _cell_volume 64.36996710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 0.00000000 3.60971699 1 Ga Ga2 1 2.08283179 0.00000000 5.05497952 1 Ga Ga3 1 2.08283179 0.00000000 2.16445446 1 [/CIF]
ClFeGa2
Cmmm
65
orthorhombic
mmm
5,952.456458
false
[CIF] data_Cr3Mo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12111610 _cell_length_b 4.12111610 _cell_length_c 5.15632666 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3Mo2 _chemical_formula_sum 'Cr3 Mo2' _cell_volume 75.84042408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 0.00000000 2.37932749 3.37456737 1 Cr Cr2 1 2.06055805 1.18966374 1.78175929 1 Mo Mo3 1 0.00000000 2.37932749 0.91664576 1 Mo Mo4 1 2.06055805 1.18966374 4.23968090 1 [/CIF]
Cr3Mo2
P-3m1
164
trigonal
-3m
7,617.511774
false
[CIF] data_CdAsIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34884842 _cell_length_b 4.34884842 _cell_length_c 4.34884842 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAsIr _chemical_formula_sum 'Cd1 As1 Ir1' _cell_volume 58.15777922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 4.61265031 4.61265031 4.61265032 1 Ir Ir2 1 1.53755010 1.53755011 1.53755011 1 [/CIF]
AsCdIr
F-43m
216
cubic
-43m
10,837.018657
false