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_ScGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27083973 _cell_length_b 5.27083973 _cell_length_c 4.69652707 _cell_angle_alpha 95.92960922 _cell_angle_beta 95.92960922 _cell_angle_gamma 36.08519523 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGeP2 _chemical_formula_sum 'Sc1 Ge1 P2' _cell_volume 76.39483126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75651713 -0.00000000 2.33436217 1 P P1 1 2.56311807 -0.00000000 0.76245726 1 P P2 1 6.94991619 -0.00000000 3.90626708 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeP2Sc
C2/m
12
monoclinic
2/m
3,902.605513
false
[CIF] data_LiMn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98520861 _cell_length_b 2.98520861 _cell_length_c 5.88431955 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2Mo _chemical_formula_sum 'Li1 Mn2 Mo1' _cell_volume 52.43793976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 4.47576821 1 Mn Mn1 1 1.49260431 1.49260431 5.87643097 1 Mn Mn2 1 0.00000000 0.00000000 1.51746157 1 Mo Mo3 1 1.49260431 1.49260431 2.84113813 1 [/CIF]
LiMn2Mo
P4mm
99
tetragonal
4mm
6,737.958662
false
[CIF] data_RuPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18927862 _cell_length_b 3.18927862 _cell_length_c 8.16803602 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuPbSe2 _chemical_formula_sum 'Ru1 Pb1 Se2' _cell_volume 83.08116299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 0.00000000 4.08401801 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.59463931 1.59463931 1.48161035 1 Se Se3 1 1.59463931 1.59463931 6.68642567 1 [/CIF]
PbRuSe2
P4/mmm
123
tetragonal
4/mmm
9,317.75672
false
[CIF] data_SiOsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94489846 _cell_length_b 3.56316718 _cell_length_c 7.62269251 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.36862254 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiOsCl2 _chemical_formula_sum 'Si1 Os1 Cl2' _cell_volume 79.91783541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.17420942 1.78158359 7.34446374 1 Cl Cl1 1 1.54352118 0.00000000 2.29837166 1 Os Os2 1 2.62557114 1.78158359 5.11204560 1 Si Si3 1 1.10732809 0.00000000 4.28556839 1 [/CIF]
Cl2OsSi
Pm
6
monoclinic
m
6,009.467063
false
[CIF] data_SnSb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83007729 _cell_length_b 6.83007729 _cell_length_c 4.54962494 _cell_angle_alpha 102.91305103 _cell_angle_beta 102.91305103 _cell_angle_gamma 37.77701023 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSb2Te _chemical_formula_sum 'Sn1 Sb2 Te1' _cell_volume 126.33738520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 2.94728607 0.00000000 0.93796162 1 Sb Sb1 1 8.90269339 0.00000000 3.48293923 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 5.92498973 -0.00000000 2.21045043 1 [/CIF]
Sb2SnTe
C2/m
12
monoclinic
2/m
6,438.172278
false
[CIF] data_CaHfInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99791461 _cell_length_b 4.99791461 _cell_length_c 4.99791461 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfInCu _chemical_formula_sum 'Ca1 Hf1 In1 Cu1' _cell_volume 88.27779907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 5.30108897 5.30108897 5.30108897 1 Hf Hf2 1 3.53405931 3.53405931 3.53405931 1 In In3 1 1.76702966 1.76702966 1.76702966 1 [/CIF]
CaCuHfIn
F-43m
216
cubic
-43m
7,466.442296
false
[CIF] data_NaCrNiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30824891 _cell_length_b 4.30824891 _cell_length_c 4.30824891 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrNiRh _chemical_formula_sum 'Na1 Cr1 Ni1 Rh1' _cell_volume 56.54410872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04639202 3.04639202 3.04639202 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.56958803 4.56958803 4.56958803 1 Rh Rh3 1 1.52319601 1.52319601 1.52319601 1 [/CIF]
CrNaNiRh
F-43m
216
cubic
-43m
6,947.819337
false
[CIF] data_CaTa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69767698 _cell_length_b 5.69767698 _cell_length_c 5.69767698 _cell_angle_alpha 143.69751298 _cell_angle_beta 132.51388127 _cell_angle_gamma 61.20537954 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa2Ge _chemical_formula_sum 'Ca1 Ta2 Ge1' _cell_volume 79.87698975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 4.90409387 1 Ta Ta2 1 1.77497689 0.00000000 2.66023759 1 Ta Ta3 1 0.00000000 2.29408878 2.24385628 1 [/CIF]
CaGeTa2
Immm
71
orthorhombic
mmm
9,866.604795
false
[CIF] data_BeInOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45201492 _cell_length_b 4.45201492 _cell_length_c 4.45201492 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeInOsAu _chemical_formula_sum 'Be1 In1 Os1 Au1' _cell_volume 62.39572503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72207491 4.72207491 4.72207491 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 3.14804994 3.14804994 3.14804994 1 Os Os3 1 1.57402497 1.57402497 1.57402497 1 [/CIF]
AuBeInOs
F-43m
216
cubic
-43m
13,599.968325
false
[CIF] data_Y2FeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05776862 _cell_length_b 9.05776862 _cell_length_c 9.05776862 _cell_angle_alpha 20.71796129 _cell_angle_beta 20.71796129 _cell_angle_gamma 20.71796129 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2FeMo _chemical_formula_sum 'Y2 Fe1 Mo1' _cell_volume 81.42102347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 0.00000000 13.29055796 1 Y Y2 1 -0.00000000 -0.00000000 6.85258750 1 Y Y3 1 0.00000000 -0.00000000 19.72852843 1 [/CIF]
FeMoY2
R-3m
166
trigonal
-3m
6,722.359702
false
[CIF] data_Mg2CrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75550670 _cell_length_b 4.24834987 _cell_length_c 5.76957783 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.23614026 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CrMo _chemical_formula_sum 'Mg2 Cr1 Mo1' _cell_volume 66.00637193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.08347652 0.00000000 4.06356038 1 Mg Mg1 1 -1.12997373 2.12417494 5.56177955 1 Mg Mg2 1 1.71316142 0.00000000 1.47885310 1 Mo Mo3 1 0.57651970 2.12417494 2.99207419 1 [/CIF]
CrMg2Mo
Pm
6
monoclinic
m
4,945.063313
false
[CIF] data_HfCu2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95092781 _cell_length_b 4.95092781 _cell_length_c 4.95092781 _cell_angle_alpha 134.61598907 _cell_angle_beta 134.61598907 _cell_angle_gamma 66.12745486 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCu2Re _chemical_formula_sum 'Hf1 Cu2 Re1' _cell_volume 60.54391110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.90995564 -0.00000000 2.07459786 1 Hf Hf2 1 0.00000000 0.00000000 4.14919571 1 Re Re3 1 0.00000000 1.90995564 2.07459785 1 [/CIF]
Cu2HfRe
I-4m2
119
tetragonal
-42m
13,488.306787
false
[CIF] data_YMg3Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28412411 _cell_length_b 5.28412411 _cell_length_c 5.28412411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMg3Nb _chemical_formula_sum 'Y1 Mg3 Nb1' _cell_volume 147.54314225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Nb Nb1 1 2.64206205 2.64206205 2.64206205 1 Mg Mg2 1 0.00000000 2.64206205 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 2.64206205 1 Mg Mg4 1 2.64206205 0.00000000 0.00000000 1 [/CIF]
Mg3NbY
Pm-3m
221
cubic
m-3m
2,866.853114
false
[CIF] data_LaTaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82020111 _cell_length_b 4.82020111 _cell_length_c 3.25250809 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaRu2 _chemical_formula_sum 'La1 Ta1 Ru2' _cell_volume 75.56987486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ru Ru1 1 0.00000000 2.41010056 1.62625405 1 Ru Ru2 1 2.41010056 0.00000000 1.62625405 1 Ta Ta3 1 2.41010056 2.41010056 0.00000000 1 [/CIF]
LaRu2Ta
P4/mmm
123
tetragonal
4/mmm
11,470.295061
false
[CIF] data_Nb2TcB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32607267 _cell_length_b 4.32607267 _cell_length_c 4.32607267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TcB _chemical_formula_sum 'Nb2 Tc1 B1' _cell_volume 57.24880600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.05899532 3.05899532 3.05899532 1 Nb Nb2 1 1.52949766 1.52949766 1.52949766 1 Tc Tc3 1 4.58849298 4.58849298 4.58849298 1 [/CIF]
BNb2Tc
F-43m
216
cubic
-43m
8,572.039807
false
[CIF] data_BaBeV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88157985 _cell_length_b 4.15149029 _cell_length_c 6.03189191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeV2 _chemical_formula_sum 'Ba1 Be1 V2' _cell_volume 72.15862276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 3.01594596 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.44078993 2.07574515 0.89815926 1 V V3 1 1.44078993 2.07574515 5.13373265 1 [/CIF]
BaBeV2
Pmmm
47
orthorhombic
mmm
5,712.174299
false
[CIF] data_Sr2LiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49132811 _cell_length_b 5.49132811 _cell_length_c 4.57161283 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2LiBi _chemical_formula_sum 'Sr2 Li1 Bi1' _cell_volume 137.85554214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.74566406 2.74566406 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 0.00000000 2.74566406 2.28580642 1 Sr Sr3 1 2.74566406 0.00000000 2.28580642 1 [/CIF]
BiLiSr2
P4/mmm
123
tetragonal
4/mmm
4,711.735023
false
[CIF] data_GaPt2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52514596 _cell_length_b 4.52514596 _cell_length_c 3.21040018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPt2Se _chemical_formula_sum 'Ga1 Pt2 Se1' _cell_volume 65.73919099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 2.26257298 1.60520009 1 Pt Pt2 1 2.26257298 0.00000000 1.60520009 1 Se Se3 1 2.26257298 2.26257298 0.00000000 1 [/CIF]
GaPt2Se
P4/mmm
123
tetragonal
4/mmm
13,611.106603
false
[CIF] data_ScRh4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23102907 _cell_length_b 5.23102907 _cell_length_c 5.23102907 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRh4Cl _chemical_formula_sum 'Sc1 Rh4 Cl1' _cell_volume 101.21535517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.62073845 4.62073845 2.77705381 1 Rh Rh2 1 4.62073845 2.77705381 4.62073845 1 Rh Rh3 1 2.77705381 4.62073845 4.62073845 1 Rh Rh4 1 2.77705381 2.77705381 2.77705381 1 Sc Sc5 1 5.54834420 5.54834420 5.54834420 1 [/CIF]
ClRh4Sc
F-43m
216
cubic
-43m
8,072.258898
false
[CIF] data_Ga2FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96787116 _cell_length_b 2.96787116 _cell_length_c 5.95803411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2FeIr _chemical_formula_sum 'Ga2 Fe1 Ir1' _cell_volume 52.47990890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.48393558 1.48393558 1.37878573 1 Ga Ga2 1 1.48393558 1.48393558 4.57924838 1 Ir Ir3 1 0.00000000 0.00000000 2.97901705 1 [/CIF]
FeGa2Ir
P4/mmm
123
tetragonal
4/mmm
12,261.305062
false
[CIF] data_YTiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49978778 _cell_length_b 4.49978778 _cell_length_c 4.49978778 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiCl _chemical_formula_sum 'Y1 Ti1 Cl1' _cell_volume 64.42598940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 4.77274568 4.77274568 4.77274568 1 Y Y2 1 1.59091522 1.59091522 1.59091523 1 [/CIF]
ClTiY
F-43m
216
cubic
-43m
4,439.012189
false
[CIF] data_BaLiCa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22562937 _cell_length_b 4.22562937 _cell_length_c 9.45335645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiCa2 _chemical_formula_sum 'Ba1 Li1 Ca2' _cell_volume 168.79859931 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.11281468 2.11281468 6.76837218 1 Ca Ca1 1 0.00000000 0.00000000 0.26899441 1 Ca Ca2 1 2.11281468 2.11281468 2.71553582 1 Li Li3 1 0.00000000 0.00000000 4.42713227 1 [/CIF]
BaCa2Li
P4mm
99
tetragonal
4mm
2,207.74858
false
[CIF] data_PrErTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45933104 _cell_length_b 5.45933104 _cell_length_c 5.45933104 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrErTl2 _chemical_formula_sum 'Pr1 Er1 Tl2' _cell_volume 115.05441573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pr Pr0 1 0.00000000 0.00000000 0.00000000 1 Er Er1 1 3.86033000 3.86033000 3.86033000 1 Tl Tl2 1 1.93016500 1.93016500 1.93016500 1 Tl Tl3 1 5.79049500 5.79049500 5.79049500 1 [/CIF]
ErPrTl2
Fm-3m
225
cubic
m-3m
10,347.240149
false
[CIF] data_LiAs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15979335 _cell_length_b 3.15979335 _cell_length_c 6.73132335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAs2W _chemical_formula_sum 'Li1 As2 W1' _cell_volume 67.20751122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57989667 1.57989667 4.86287243 1 As As1 1 1.57989667 1.57989667 1.86845092 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.36566168 1 [/CIF]
As2LiW
P4/mmm
123
tetragonal
4/mmm
8,416.077112
false
[CIF] data_Ca2AgCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62802115 _cell_length_b 3.62802115 _cell_length_c 7.97263064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2AgCl _chemical_formula_sum 'Ca2 Ag1 Cl1' _cell_volume 104.94004949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.98631532 1 Ca Ca1 1 1.81401057 1.81401057 5.80840504 1 Ca Ca2 1 1.81401057 1.81401057 2.16422560 1 Cl Cl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCa2Cl
P4/mmm
123
tetragonal
4/mmm
3,536.234478
false
[CIF] data_Na3MoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73544765 _cell_length_b 5.73544765 _cell_length_c 5.73544765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3MoPb _chemical_formula_sum 'Na3 Mo1 Pb1' _cell_volume 188.66961375 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.86772383 2.86772383 2.86772383 1 Na Na1 1 0.00000000 2.86772383 0.00000000 1 Na Na2 1 0.00000000 0.00000000 2.86772383 1 Na Na3 1 2.86772383 0.00000000 0.00000000 1 Mo Mo4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoNa3Pb
Pm-3m
221
cubic
m-3m
3,275.224034
false
[CIF] data_Na2AlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95866369 _cell_length_b 4.95866369 _cell_length_c 6.30088120 _cell_angle_alpha 94.82493577 _cell_angle_beta 94.82493577 _cell_angle_gamma 31.82613898 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2AlMo _chemical_formula_sum 'Na2 Al1 Mo1' _cell_volume 81.38730185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.50467689 0.00000000 3.53585177 1 Mo Mo1 1 1.90386974 0.00000000 4.36729491 1 Na Na2 1 8.96921319 0.00000000 6.25945850 1 Na Na3 1 7.08771050 -0.00000000 1.52923149 1 [/CIF]
AlMoNa2
Cm
8
monoclinic
m
3,446.484174
false
[CIF] data_ZrAg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96598055 _cell_length_b 4.96598055 _cell_length_c 4.96598055 _cell_angle_alpha 129.85655932 _cell_angle_beta 129.85655932 _cell_angle_gamma 73.63618241 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAg2Os _chemical_formula_sum 'Zr1 Ag2 Os1' _cell_volume 70.41798833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10434621 -0.00000000 1.98773847 1 Ag Ag1 1 0.00000000 -0.00000000 3.97547694 1 Os Os2 1 0.00000000 2.10434621 1.98773847 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2OsZr
I-4m2
119
tetragonal
-42m
11,724.334965
false
[CIF] data_SrMgCrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92180251 _cell_length_b 4.92180251 _cell_length_c 4.92180251 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgCrIr _chemical_formula_sum 'Sr1 Mg1 Cr1 Ir1' _cell_volume 84.30581909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.22035990 5.22035990 5.22035990 1 Ir Ir1 1 1.74011997 1.74011997 1.74011996 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 3.48023993 3.48023993 3.48023993 1 [/CIF]
CrIrMgSr
F-43m
216
cubic
-43m
7,014.714222
false
[CIF] data_Ta5Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.11480585 _cell_length_b 8.11480585 _cell_length_c 8.11480585 _cell_angle_alpha 32.59121779 _cell_angle_beta 32.59121779 _cell_angle_gamma 32.59121779 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta5Mo3 _chemical_formula_sum 'Ta5 Mo3' _cell_volume 137.87842855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 20.18619964 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 -0.00000000 -0.00000000 2.84500012 1 Ta Ta3 1 -0.00000000 0.00000000 5.65373024 1 Ta Ta4 1 -0.00000000 0.00000000 8.56096526 1 Ta Ta5 1 -0.00000000 -0.00000000 11.51559988 1 Ta Ta6 1 0.00000000 0.00000000 14.47023449 1 Ta Ta7 1 -0.00000000 0.00000000 17.37746952 1 [/CIF]
Mo3Ta5
R-3m
166
trigonal
-3m
14,363.313581
false
[CIF] data_ReWAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56104490 _cell_length_b 4.56104490 _cell_length_c 4.56104490 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReWAu2 _chemical_formula_sum 'Re1 W1 Au2' _cell_volume 67.09312888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.83771867 4.83771867 4.83771867 1 Au Au1 1 3.22514578 3.22514578 3.22514578 1 Re Re2 1 1.61257289 1.61257289 1.61257289 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2ReW
F-43m
216
cubic
-43m
18,908.32767
false
[CIF] data_SrGaSnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87656701 _cell_length_b 4.87656701 _cell_length_c 4.87656701 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGaSnOs _chemical_formula_sum 'Sr1 Ga1 Sn1 Os1' _cell_volume 82.00259397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 5.17238040 5.17238040 5.17238040 1 Sn Sn2 1 3.44825360 3.44825360 3.44825360 1 Sr Sr3 1 1.72412680 1.72412680 1.72412680 1 [/CIF]
GaOsSnSr
F-43m
216
cubic
-43m
9,442.154207
false
[CIF] data_MgFeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09448458 _cell_length_b 5.09448458 _cell_length_c 5.09448458 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeTe2 _chemical_formula_sum 'Mg1 Fe1 Te2' _cell_volume 93.49443408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80117229 1.80117230 1.80117230 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 5.40351689 5.40351689 5.40351689 1 Te Te3 1 3.60234459 3.60234459 3.60234459 1 [/CIF]
FeMgTe2
F-43m
216
cubic
-43m
5,956.095477
false
[CIF] data_ReAg2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81385709 _cell_length_b 9.81385709 _cell_length_c 9.81385709 _cell_angle_alpha 16.14967332 _cell_angle_beta 16.14967332 _cell_angle_gamma 16.14967332 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAg2Ru _chemical_formula_sum 'Re1 Ag2 Ru1' _cell_volume 63.74786941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.27742723 1 Ag Ag1 1 0.00000000 -0.00000000 21.77429213 1 Re Re2 1 -0.00000000 -0.00000000 14.52585968 1 Ru Ru3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Ag2ReRu
R-3m
166
trigonal
-3m
13,102.765769
false
[CIF] data_Ni2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93032544 _cell_length_b 2.93032544 _cell_length_c 5.86628517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2IrRu _chemical_formula_sum 'Ni2 Ir1 Ru1' _cell_volume 50.37265964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.93314259 1 Ni Ni1 1 1.46516272 1.46516272 4.40265465 1 Ni Ni2 1 1.46516272 1.46516272 1.46363052 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrNi2Ru
P4/mmm
123
tetragonal
4/mmm
13,537.897212
false
[CIF] data_SrCaZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12261553 _cell_length_b 5.12261553 _cell_length_c 5.12261553 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaZnIr _chemical_formula_sum 'Sr1 Ca1 Zn1 Ir1' _cell_volume 95.05178742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 5.43335427 5.43335427 5.43335427 1 Sr Sr2 1 3.62223618 3.62223618 3.62223618 1 Zn Zn3 1 1.81111809 1.81111809 1.81111809 1 [/CIF]
CaIrSrZn
F-43m
216
cubic
-43m
6,731.040174
false
[CIF] data_Na2LaSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78212983 _cell_length_b 6.78212983 _cell_length_c 6.78212983 _cell_angle_alpha 139.56823665 _cell_angle_beta 139.56823665 _cell_angle_gamma 58.50946011 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LaSc _chemical_formula_sum 'Na2 La1 Sc1' _cell_volume 130.00030627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.91710760 1 Na Na1 1 -0.00000000 2.34362142 2.95855380 1 Na Na2 1 2.34362142 -0.00000000 2.95855380 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaNa2Sc
I4/mmm
139
tetragonal
4/mmm
2,935.837912
false
[CIF] data_NaHgTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51008825 _cell_length_b 6.51008825 _cell_length_c 6.51008825 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHgTe4 _chemical_formula_sum 'Na1 Hg1 Te4' _cell_volume 195.09477143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.90499133 6.90499133 6.90499133 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 5.75207573 5.75207573 3.45457937 1 Te Te3 1 5.75207573 3.45457937 5.75207573 1 Te Te4 1 3.45457937 5.75207573 5.75207573 1 Te Te5 1 3.45457937 3.45457937 3.45457937 1 [/CIF]
HgNaTe4
F-43m
216
cubic
-43m
6,247.230882
false
[CIF] data_Ba2HfPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.11451634 _cell_length_b 10.11451634 _cell_length_c 4.03239101 _cell_angle_alpha 100.66168297 _cell_angle_beta 100.66168297 _cell_angle_gamma 21.03572368 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2HfPt _chemical_formula_sum 'Ba2 Hf1 Pt1' _cell_volume 145.43151885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.61150655 -0.00000000 1.43305629 1 Ba Ba1 1 2.51885952 -0.00000000 2.52730116 1 Hf Hf2 1 -0.00000000 -0.00000000 0.00000000 1 Pt Pt3 1 9.56518303 0.00000000 1.98017872 1 [/CIF]
Ba2HfPt
C2/m
12
monoclinic
2/m
7,401.476149
false
[CIF] data_NaNiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70826430 _cell_length_b 3.70826430 _cell_length_c 7.76670607 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNiPb2 _chemical_formula_sum 'Na1 Ni1 Pb2' _cell_volume 106.80171583 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.93767881 1 Ni Ni1 1 1.85413215 1.85413215 6.68494985 1 Pb Pb2 1 0.00000000 0.00000000 7.09992876 1 Pb Pb3 1 1.85413215 1.85413215 1.69420767 1 [/CIF]
NaNiPb2
P4mm
99
tetragonal
4mm
7,713.786158
false
[CIF] data_VCo2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57494907 _cell_length_b 3.57494907 _cell_length_c 3.45976664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCo2Ni _chemical_formula_sum 'V1 Co2 Ni1' _cell_volume 44.21672015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78747454 1.72988332 1 Co Co1 1 1.78747454 0.00000000 1.72988332 1 Ni Ni2 1 1.78747454 1.78747454 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2NiV
P4/mmm
123
tetragonal
4/mmm
8,543.70877
false
[CIF] data_Zr2BTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58661688 _cell_length_b 3.58661688 _cell_length_c 6.64653890 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BTe _chemical_formula_sum 'Zr2 B1 Te1' _cell_volume 85.49988431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38558937 1 Te Te1 1 1.79330844 1.79330844 5.30151312 1 Zr Zr2 1 0.00000000 0.00000000 0.08878427 1 Zr Zr3 1 1.79330844 1.79330844 2.19392160 1 [/CIF]
BTeZr2
P4mm
99
tetragonal
4mm
6,231.574565
false
[CIF] data_Na2LaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16177406 _cell_length_b 5.53919618 _cell_length_c 5.66500282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LaNi _chemical_formula_sum 'Na2 La1 Ni1' _cell_volume 99.21508508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.76959809 0.00000000 1 Na Na1 1 1.58088703 1.26667364 2.83250141 1 Na Na2 1 1.58088703 4.27252254 2.83250141 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaNa2Ni
Pmmm
47
orthorhombic
mmm
4,076.713363
false
[CIF] data_NaLiZnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65513419 _cell_length_b 4.65513419 _cell_length_c 4.65513419 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiZnMo _chemical_formula_sum 'Na1 Li1 Zn1 Mo1' _cell_volume 71.33154237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.93751543 4.93751543 4.93751543 1 Na Na2 1 1.64583847 1.64583847 1.64583847 1 Zn Zn3 1 3.29167695 3.29167695 3.29167695 1 [/CIF]
LiMoNaZn
F-43m
216
cubic
-43m
4,452.624661
false
[CIF] data_NaMnCrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29657435 _cell_length_b 4.29657435 _cell_length_c 4.29657435 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnCrW _chemical_formula_sum 'Na1 Mn1 Cr1 W1' _cell_volume 56.08568094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03813686 3.03813686 3.03813686 1 Mn Mn1 1 1.51906843 1.51906843 1.51906843 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.55720529 4.55720529 4.55720529 1 [/CIF]
CrMnNaW
F-43m
216
cubic
-43m
9,289.665894
false
[CIF] data_ZrRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88585040 _cell_length_b 5.88585040 _cell_length_c 4.60432780 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99741466 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRh3 _chemical_formula_sum 'Zr2 Rh6' _cell_volume 138.14227980 _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 Rh Rh0 1 2.94304020 -4.26616462 3.45324585 1 Rh Rh1 1 2.94304020 4.26616462 1.15108195 1 Rh Rh2 1 2.43840092 3.12926946 3.45324585 1 Rh Rh3 1 3.44767948 -3.12926946 1.15108195 1 Rh Rh4 1 3.44767948 3.12926946 3.45324585 1 Rh Rh5 1 2.43840092 -3.12926946 1.15108195 1 Zr Zr6 1 2.94304020 0.34666370 1.15108195 1 Zr Zr7 1 2.94304020 -0.34666370 3.45324585 1 [/CIF]
Rh6Zr2
Cmcm
63
orthorhombic
mmm
9,614.968357
false
[CIF] data_HfCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28477055 _cell_length_b 5.92764993 _cell_length_c 6.43591535 _cell_angle_alpha 74.94655137 _cell_angle_beta 89.63054893 _cell_angle_gamma 64.08030088 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCd _chemical_formula_sum 'Hf4 Cd4' _cell_volume 173.77398191 _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 Cd Cd0 1 6.97092703 5.49830300 5.00755312 1 Cd Cd1 1 4.26637095 4.14919710 0.35614038 1 Cd Cd2 1 3.65094023 3.02049290 5.81150708 1 Cd Cd3 1 0.94638415 1.67138700 1.16009433 1 Hf Hf4 1 6.94195832 4.55174433 1.98614605 1 Hf Hf5 1 4.34043266 4.98067434 3.45758279 1 Hf Hf6 1 0.97535286 2.61794566 4.18150141 1 Hf Hf7 1 3.57687851 2.18901566 2.71006466 1 [/CIF]
Cd4Hf4
P-1
2
triclinic
-1
11,119.0978
false
[CIF] data_Zn2Fe9O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27070601 _cell_length_b 5.27070601 _cell_length_c 17.24113778 _cell_angle_alpha 97.99866939 _cell_angle_beta 97.99866939 _cell_angle_gamma 32.90163974 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2Fe9O13 _chemical_formula_sum 'Zn2 Fe9 O13' _cell_volume 257.41988220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 1.55742853 0.00000000 3.91891244 1 Zn Zn1 1 6.05094147 0.00000000 13.13978856 1 Fe Fe2 1 3.80418500 0.00000000 8.52935050 1 Fe Fe3 1 6.44948498 0.00000000 0.75286871 1 Fe Fe4 1 1.15888502 0.00000000 16.30583229 1 Fe Fe5 1 6.52369848 0.00000000 7.09853489 1 Fe Fe6 1 1.08467152 0.00000000 9.96016611 1 Fe Fe7 1 9.10765277 -0.00000000 2.23419513 1 Fe Fe8 1 -1.49928277 -0.00000000 14.82450587 1 Fe Fe9 1 9.14759170 0.00000000 5.53583847 1 Fe Fe10 1 -1.53922170 0.00000000 11.52286253 1 O O11 1 0.00000000 0.00000000 0.00000000 1 O O12 1 8.02266397 -0.00000000 3.89900494 1 O O13 1 -0.41429397 -0.00000000 13.15969606 1 O O14 1 2.74620511 -0.00000000 1.11792491 1 O O15 1 4.86216489 0.00000000 15.94077609 1 O O16 1 5.57456239 -0.00000000 2.47288047 1 O O17 1 2.03380761 -0.00000000 14.58582053 1 O O18 1 5.61402444 -0.00000000 5.37645903 1 O O19 1 1.99434556 -0.00000000 11.68224197 1 O O20 1 2.84048092 -0.00000000 6.71904703 1 O O21 1 4.76788908 0.00000000 10.33965397 1 O O22 1 0.28079577 -0.00000000 7.89324860 1 O O23 1 7.32757423 -0.00000000 9.16545240 1 [/CIF]
Fe9O13Zn2
C2/m
12
monoclinic
2/m
5,427.344957
false
[CIF] data_SrMgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59247209 _cell_length_b 4.16275694 _cell_length_c 8.60955472 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.69171020 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgBi2 _chemical_formula_sum 'Sr1 Mg1 Bi2' _cell_volume 126.91477016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.00568288 2.08137847 6.56591555 1 Bi Bi1 1 1.13739855 2.08137847 1.92076219 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 -0.72469533 0.00000000 4.24333887 1 [/CIF]
Bi2MgSr
P2/m
10
monoclinic
2/m
6,932.968248
false
[CIF] data_ZnSnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86440944 _cell_length_b 4.86440944 _cell_length_c 4.86440944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSnCl _chemical_formula_sum 'Zn1 Sn1 Cl1' _cell_volume 81.39080978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.43965690 3.43965690 3.43965690 1 Zn Zn2 1 5.15948535 5.15948535 5.15948535 1 [/CIF]
ClSnZn
F-43m
216
cubic
-43m
4,479.126443
false
[CIF] data_KTa2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79647835 _cell_length_b 6.79647835 _cell_length_c 6.79647835 _cell_angle_alpha 156.77311025 _cell_angle_beta 134.28233135 _cell_angle_gamma 51.89206124 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTa2Ag _chemical_formula_sum 'K1 Ta2 Ag1' _cell_volume 88.30400008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.11143798 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 0.00000000 2.64017357 2.65746078 1 Ta Ta3 1 1.36818397 -0.00000000 3.45397720 1 [/CIF]
AgKTa2
Immm
71
orthorhombic
mmm
9,569.282846
false
[CIF] data_AlFeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09699063 _cell_length_b 4.09699063 _cell_length_c 4.09699063 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFeAg _chemical_formula_sum 'Al1 Fe1 Ag1' _cell_volume 48.62727305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34551479 4.34551479 4.34551479 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 1.44850493 1.44850493 1.44850493 1 [/CIF]
AgAlFe
F-43m
216
cubic
-43m
6,511.902547
false
[CIF] data_VIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86486577 _cell_length_b 5.04143610 _cell_length_c 5.00216800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VIn _chemical_formula_sum 'V2 In2' _cell_volume 72.24650108 _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 In In0 1 1.43243289 0.00000000 2.96358665 1 In In1 1 0.00000000 2.52071805 2.03858135 1 V V2 1 0.00000000 0.00000000 0.36030741 1 V V3 1 1.43243289 2.52071805 4.64186059 1 [/CIF]
In2V2
Pmmn
59
orthorhombic
mmm
7,619.749643
false
[CIF] data_TlNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19350014 _cell_length_b 3.19350014 _cell_length_c 5.89359255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNi2Pt _chemical_formula_sum 'Tl1 Ni2 Pt1' _cell_volume 60.10546854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.18347856 1 Ni Ni1 1 1.59675007 1.59675007 1.38295707 1 Pt Pt2 1 0.00000000 0.00000000 2.72699963 1 Tl Tl3 1 1.59675007 1.59675007 4.54695357 1 [/CIF]
Ni2PtTl
P4mm
99
tetragonal
4mm
14,279.173687
false
[CIF] data_ErAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55385073 _cell_length_b 4.55385073 _cell_length_c 4.55385073 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErAg _chemical_formula_sum 'Er1 Ag1' _cell_volume 66.77614968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Er Er1 1 4.83008809 4.83008809 4.83008809 1 [/CIF]
AgEr
F-43m
216
cubic
-43m
6,841.656281
false
[CIF] data_CaAlGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63150617 _cell_length_b 3.63150617 _cell_length_c 6.54432699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAlGe2 _chemical_formula_sum 'Ca1 Al1 Ge2' _cell_volume 86.30551779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.88698214 1 Ca Ca1 1 1.81575308 1.81575308 4.93471246 1 Ge Ge2 1 0.00000000 0.00000000 0.33605185 1 Ge Ge3 1 1.81575308 1.81575308 1.65874397 1 [/CIF]
AlCaGe2
P4mm
99
tetragonal
4mm
4,085.491021
false
[CIF] data_VGaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11914875 _cell_length_b 6.11914875 _cell_length_c 6.11914875 _cell_angle_alpha 152.14642545 _cell_angle_beta 152.14642545 _cell_angle_gamma 39.79951111 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGaCl _chemical_formula_sum 'V1 Ga1 Cl1' _cell_volume 49.92077660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.09048295 1 Ga Ga1 1 0.00000000 0.00000000 7.99629469 1 V V2 1 -0.00000000 0.00000000 3.92830956 1 [/CIF]
ClGaV
I4mm
107
tetragonal
4mm
5,193.023782
false
[CIF] data_TaRe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87447683 _cell_length_b 4.87447683 _cell_length_c 4.85855214 _cell_angle_alpha 98.84661862 _cell_angle_beta 98.84661862 _cell_angle_gamma 33.03769124 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRe2Rh _chemical_formula_sum 'Ta1 Re2 Rh1' _cell_volume 62.12273727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81279186 0.00000000 3.63883322 1 Re Re1 1 6.75442280 -0.00000000 1.15680248 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 4.28360733 -0.00000000 2.39781785 1 [/CIF]
Re2RhTa
C2/m
12
monoclinic
2/m
17,542.009103
false
[CIF] data_CdAg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20327285 _cell_length_b 4.20327285 _cell_length_c 4.21524494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAg2Au _chemical_formula_sum 'Cd1 Ag2 Au1' _cell_volume 74.47285115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10163643 2.10762247 1 Ag Ag1 1 2.10163643 0.00000000 2.10762247 1 Au Au2 1 2.10163643 2.10163643 0.00000000 1 Cd Cd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AuCd
P4/mmm
123
tetragonal
4/mmm
11,708.592412
false
[CIF] data_Os3Au5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46665197 _cell_length_b 6.46665197 _cell_length_c 11.29141662 _cell_angle_alpha 90.31095344 _cell_angle_beta 90.31095344 _cell_angle_gamma 142.66278782 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os3Au5 _chemical_formula_sum 'Os6 Au10' _cell_volume 286.33820643 _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 Au Au0 1 1.98597476 -4.44501267 7.42681310 1 Au Au1 1 1.95782642 1.84988581 1.99184654 1 Au Au2 1 4.01955441 0.00000000 1.39629773 1 Au Au3 1 1.98597476 4.44501267 7.42681310 1 Au Au4 1 1.99060188 1.84988581 9.29794702 1 Au Au5 1 1.95782642 -1.84988581 1.99184654 1 Au Au6 1 1.96245354 -4.44501267 3.86298045 1 Au Au7 1 -0.07112611 -0.00000000 9.89349582 1 Au Au8 1 1.99060188 -1.84988581 9.29794702 1 Au Au9 1 1.96245354 4.44501267 3.86298045 1 Os Os10 1 2.06993611 3.72440140 0.00000000 1 Os Os11 1 1.97421415 2.25434635 5.64489678 1 Os Os12 1 1.96463989 -0.00000000 4.41785473 1 Os Os13 1 1.98378841 0.00000000 6.87193883 1 Os Os14 1 1.97421415 -2.25434635 5.64489678 1 Os Os15 1 2.06993611 -3.72440140 0.00000000 1 [/CIF]
Au10Os6
C2/m
12
monoclinic
2/m
18,041.647221
false
[CIF] data_VNiSnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42022191 _cell_length_b 4.42022191 _cell_length_c 4.42022191 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNiSnW _chemical_formula_sum 'V1 Ni1 Sn1 W1' _cell_volume 61.06849572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12556889 3.12556889 3.12556889 1 Sn Sn1 1 4.68835334 4.68835334 4.68835334 1 V V2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.56278445 1.56278445 1.56278445 1 [/CIF]
NiSnVW
F-43m
216
cubic
-43m
11,207.892401
false
[CIF] data_LaInRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49534019 _cell_length_b 4.65907658 _cell_length_c 4.97686739 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaInRe2 _chemical_formula_sum 'La1 In1 Re2' _cell_volume 81.04857221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.74767010 0.00000000 2.48843369 1 Re Re2 1 1.74767010 2.32953829 0.00000000 1 Re Re3 1 0.00000000 2.32953829 2.48843369 1 [/CIF]
InLaRe2
Pmmm
47
orthorhombic
mmm
12,828.427469
false
[CIF] data_LiCaNbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84006903 _cell_length_b 4.84006903 _cell_length_c 4.84006903 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaNbZn _chemical_formula_sum 'Li1 Ca1 Nb1 Zn1' _cell_volume 80.17512916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.13366845 5.13366845 5.13366845 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.71122282 1.71122282 1.71122282 1 Zn Zn3 1 3.42244563 3.42244563 3.42244563 1 [/CIF]
CaLiNbZn
F-43m
216
cubic
-43m
4,252.161582
false
[CIF] data_CoCuGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05534632 _cell_length_b 4.05534632 _cell_length_c 3.29938787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCuGe2 _chemical_formula_sum 'Co1 Cu1 Ge2' _cell_volume 54.26118447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.02767316 2.02767316 0.00000000 1 Ge Ge2 1 2.02767316 0.00000000 1.64969393 1 Ge Ge3 1 0.00000000 2.02767316 1.64969393 1 [/CIF]
CoCuGe2
P4/mmm
123
tetragonal
4/mmm
8,194.155879
false
[CIF] data_Y2ZrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44939458 _cell_length_b 4.43115121 _cell_length_c 6.39104139 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.57154759 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2ZrRh _chemical_formula_sum 'Y2 Zr1 Rh1' _cell_volume 95.34370077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.69553252 0.00000000 3.11890799 1 Y Y1 1 0.36431420 2.21557561 4.55598476 1 Y Y2 1 1.69401535 2.21557561 1.68183121 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhY2Zr
P2/m
10
monoclinic
2/m
6,477.857353
false
[CIF] data_Sr2TmLu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01989984 _cell_length_b 6.01989984 _cell_length_c 6.01989984 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TmLu _chemical_formula_sum 'Sr2 Tm1 Lu1' _cell_volume 154.25981240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 4.25671200 4.25671200 4.25671200 1 Sr Sr1 1 2.12835600 2.12835600 2.12835600 1 Sr Sr2 1 6.38506800 6.38506800 6.38506800 1 Tm Tm3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LuSr2Tm
Fm-3m
225
cubic
m-3m
5,588.324754
false
[CIF] data_LiHfCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90753448 _cell_length_b 4.90753448 _cell_length_c 4.90753448 _cell_angle_alpha 141.49895572 _cell_angle_beta 131.80566994 _cell_angle_gamma 63.30743609 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfCo2 _chemical_formula_sum 'Li1 Hf1 Co2' _cell_volume 54.17281266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00367415 4.07267179 1 Co Co1 1 -0.00000000 0.00000000 6.38793897 1 Hf Hf2 1 -0.00000000 2.00367415 0.07926526 1 Li Li3 1 0.00000000 0.00000000 1.99252371 1 [/CIF]
Co2HfLi
Imm2
44
orthorhombic
mm2
9,297.158425
false
[CIF] data_KLa2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.51621381 _cell_length_b 12.51621381 _cell_length_c 12.51621381 _cell_angle_alpha 18.05656540 _cell_angle_beta 18.05656540 _cell_angle_gamma 18.05656540 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLa2Hg _chemical_formula_sum 'K1 La2 Hg1' _cell_volume 164.48564037 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.46354284 1 K K1 1 -0.00000000 -0.00000000 -0.00000000 1 La La2 1 -0.00000000 -0.00000000 8.50155123 1 La La3 1 -0.00000000 -0.00000000 28.42553446 1 [/CIF]
HgKLa2
R-3m
166
trigonal
-3m
5,224.332674
false
[CIF] data_LaFeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57826095 _cell_length_b 6.57826095 _cell_length_c 6.57826095 _cell_angle_alpha 150.21607682 _cell_angle_beta 149.57498145 _cell_angle_gamma 43.09704702 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFeP2 _chemical_formula_sum 'La1 Fe1 P2' _cell_volume 71.41971932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.72760220 1 La La1 1 0.00000000 1.72613477 3.63701504 1 P P2 1 0.00000000 0.00000000 12.15616292 1 P P3 1 1.69059472 -0.00000000 1.95316205 1 [/CIF]
FeLaP2
Imm2
44
orthorhombic
mm2
5,968.338317
false
[CIF] data_PtRh2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84155523 _cell_length_b 4.84155523 _cell_length_c 2.78922500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.69612755 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtRh2Au _chemical_formula_sum 'Pt1 Rh2 Au1' _cell_volume 61.93122432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.82194778 -0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.41097389 1.96705794 1.39461250 1 Rh Rh3 1 1.41097389 -1.96705794 1.39461250 1 [/CIF]
AuPtRh2
Cmmm
65
orthorhombic
mmm
16,030.241652
false
[CIF] data_ZnCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30042410 _cell_length_b 4.30042410 _cell_length_c 4.30042410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuSn _chemical_formula_sum 'Zn1 Cu1 Sn1' _cell_volume 56.23657489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 1.52042952 1.52042952 1.52042952 1 Zn Zn2 1 4.56128856 4.56128856 4.56128856 1 [/CIF]
CuSnZn
F-43m
216
cubic
-43m
7,312.131884
false
[CIF] data_KTlPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28687966 _cell_length_b 5.28687966 _cell_length_c 5.28687966 _cell_angle_alpha 131.41915552 _cell_angle_beta 129.56758516 _cell_angle_gamma 72.62943138 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTlPt2 _chemical_formula_sum 'K1 Tl1 Pt2' _cell_volume 83.47230093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 2.25239697 2.09286543 1 Pt Pt2 1 2.17482139 -0.00000000 2.16717640 1 Tl Tl3 1 0.00000000 0.00000000 4.26004183 1 [/CIF]
KPt2Tl
Immm
71
orthorhombic
mmm
12,605.378115
false
[CIF] data_ZnRhSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14458218 _cell_length_b 3.14458218 _cell_length_c 7.07520933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnRhSe2 _chemical_formula_sum 'Zn1 Rh1 Se2' _cell_volume 69.96247933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 0.00000000 0.00000000 3.53760466 1 Se Se1 1 1.57229109 1.57229109 5.11639673 1 Se Se2 1 1.57229109 1.57229109 1.95881260 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhSe2Zn
P4/mmm
123
tetragonal
4/mmm
7,742.392518
false
[CIF] data_ZnHgOs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22708632 _cell_length_b 5.22708632 _cell_length_c 5.22708632 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnHgOs4 _chemical_formula_sum 'Zn1 Hg1 Os4' _cell_volume 100.98666203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84805409 1.84805409 1.84805409 1 Os Os1 1 2.77013730 2.77013730 4.62207906 1 Os Os2 1 2.77013730 4.62207906 2.77013730 1 Os Os3 1 4.62207906 2.77013730 2.77013730 1 Os Os4 1 4.62207906 4.62207906 4.62207906 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgOs4Zn
F-43m
216
cubic
-43m
16,885.308691
false
[CIF] data_SrZr2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66974363 _cell_length_b 5.66974363 _cell_length_c 5.80602503 _cell_angle_alpha 112.14503560 _cell_angle_beta 112.14503560 _cell_angle_gamma 34.68612577 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZr2Fe _chemical_formula_sum 'Sr1 Zr2 Fe1' _cell_volume 97.58055500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 4.26556311 -0.00000000 2.66706008 1 Zr Zr2 1 1.47368713 -0.00000000 4.51145043 1 Zr Zr3 1 7.05743908 -0.00000000 0.82266972 1 [/CIF]
FeSrZr2
C2/m
12
monoclinic
2/m
5,546.097466
false
[CIF] data_TiSnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89859461 _cell_length_b 2.89859461 _cell_length_c 8.89678175 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.13132032 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSnW2 _chemical_formula_sum 'Ti1 Sn1 W2' _cell_volume 70.18270932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 0.00000000 0.00000000 4.44839087 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.65984346 0.00000000 2.14519166 1 W W3 1 1.65984346 0.00000000 6.75159009 1 [/CIF]
SnTiW2
Cmmm
65
orthorhombic
mmm
12,640.643668
false
[CIF] data_Bi2BSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81690631 _cell_length_b 3.81690631 _cell_length_c 6.99649147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2BSe _chemical_formula_sum 'Bi2 B1 Se1' _cell_volume 101.93030148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.43783793 1 Bi Bi1 1 1.90845316 1.90845316 6.05231530 1 Bi Bi2 1 0.00000000 0.00000000 1.89641510 1 Se Se3 1 1.90845316 1.90845316 3.10466035 1 [/CIF]
BBi2Se
P4mm
99
tetragonal
4mm
8,271.421521
false
[CIF] data_Be2AgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11701469 _cell_length_b 4.11701469 _cell_length_c 4.92384681 _cell_angle_alpha 101.64405702 _cell_angle_beta 101.64405702 _cell_angle_gamma 39.47548875 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AgOs _chemical_formula_sum 'Be2 Ag1 Os1' _cell_volume 51.82426825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 5.55171098 0.00000000 1.53657137 1 Be Be2 1 1.14273853 0.00000000 3.27274450 1 Os Os3 1 3.34722476 0.00000000 2.40465793 1 [/CIF]
AgBe2Os
C2/m
12
monoclinic
2/m
10,129.112964
false
[CIF] data_ScInTcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97281241 _cell_length_b 4.97281241 _cell_length_c 4.97281241 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInTcBi _chemical_formula_sum 'Sc1 In1 Tc1 Bi1' _cell_volume 86.95433402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75815469 1.75815469 1.75815469 1 In In1 1 3.51630938 3.51630938 3.51630938 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 5.27446407 5.27446407 5.27446407 1 [/CIF]
BiInScTc
F-43m
216
cubic
-43m
8,930.763013
false
[CIF] data_Be2FeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06008260 _cell_length_b 4.06008260 _cell_length_c 4.06008260 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2FeHg _chemical_formula_sum 'Be2 Fe1 Hg1' _cell_volume 47.32488960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.30636791 4.30636791 4.30636791 1 Be Be1 1 1.43545597 1.43545597 1.43545597 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 2.87091194 2.87091194 2.87091194 1 [/CIF]
Be2FeHg
Fm-3m
225
cubic
m-3m
9,630.250587
false
[CIF] data_MgZrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94389875 _cell_length_b 2.94389875 _cell_length_c 7.49442239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.91426345 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrFe2 _chemical_formula_sum 'Mg1 Zr1 Fe2' _cell_volume 64.33206882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93303314 -0.00000000 5.64075803 1 Fe Fe1 1 1.93303314 -0.00000000 1.85366436 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.74721119 1 [/CIF]
Fe2MgZr
Cmmm
65
orthorhombic
mmm
5,864.97579
false
[CIF] data_Fe2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09677325 _cell_length_b 5.27956386 _cell_length_c 5.27956386 _cell_angle_alpha 37.82441958 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2GeBi _chemical_formula_sum 'Fe2 Ge1 Bi1' _cell_volume 70.02790960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04838662 -0.00000000 2.21543221 1 Fe Fe1 1 0.00000000 -0.00000000 8.15404305 1 Fe Fe2 1 2.04838662 -0.00000000 9.45836781 1 Ge Ge3 1 0.00000000 -0.00000000 5.03361093 1 [/CIF]
BiFe2Ge
Amm2
38
orthorhombic
mm2
9,326.399599
false
[CIF] data_MnAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79028819 _cell_length_b 14.20513875 _cell_length_c 5.01859713 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAg3 _chemical_formula_sum 'Mn6 Ag18' _cell_volume 412.78888400 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34241887 2.36980864 1.67307738 1 Ag Ag1 1 4.34241887 11.83533011 1.67307738 1 Ag Ag2 1 4.34451125 7.10256938 0.00773085 1 Ag Ag3 1 4.34092104 0.00000000 5.01086628 1 Ag Ag4 1 4.34301342 9.47237801 3.34551975 1 Ag Ag5 1 4.34301342 4.73276074 3.34551975 1 Ag Ag6 1 2.89514410 0.00000000 2.54367013 1 Ag Ag7 1 2.89514410 9.47563994 0.82981610 1 Ag Ag8 1 2.89514410 4.72949881 0.82981610 1 Ag Ag9 1 1.44786932 2.36980864 1.67307738 1 Ag Ag10 1 1.44786932 11.83533011 1.67307738 1 Ag Ag11 1 1.44577694 7.10256938 0.00773085 1 Ag Ag12 1 1.44936715 0.00000000 5.01086628 1 Ag Ag13 1 1.44727477 9.47237801 3.34551975 1 Ag Ag14 1 1.44727477 4.73276074 3.34551975 1 Ag Ag15 1 0.00000000 7.10256938 2.47492700 1 Ag Ag16 1 0.00000000 2.37307056 4.18878103 1 Ag Ag17 1 0.00000000 11.83206819 4.18878103 1 Mn Mn18 1 2.89514410 7.10256938 2.50399215 1 Mn Mn19 1 2.89514410 2.36215619 4.18016254 1 Mn Mn20 1 2.89514410 11.84298256 4.18016254 1 Mn Mn21 1 0.00000000 0.00000000 2.51460498 1 Mn Mn22 1 0.00000000 9.46472556 0.83843459 1 Mn Mn23 1 0.00000000 4.74041319 0.83843459 1 [/CIF]
Ag18Mn6
Pmmn
59
orthorhombic
mmm
9,136.653744
false
[CIF] data_ScRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78074501 _cell_length_b 4.44835238 _cell_length_c 5.20611886 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.63736396 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRe3 _chemical_formula_sum 'Sc1 Re3' _cell_volume 63.29163056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80275592 2.22417619 1.28045865 1 Re Re1 1 0.01697960 2.22417619 3.83619400 1 Re Re2 1 0.90986776 0.00000000 2.55832632 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re3Sc
P2/m
10
monoclinic
2/m
15,835.633136
false
[CIF] data_V2GaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05099170 _cell_length_b 3.05099170 _cell_length_c 6.08492053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2GaRu _chemical_formula_sum 'V2 Ga1 Ru1' _cell_volume 56.64178915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 3.04246026 1 V V2 1 1.52549585 1.52549585 4.53178813 1 V V3 1 1.52549585 1.52549585 1.55313240 1 [/CIF]
GaRuV2
P4/mmm
123
tetragonal
4/mmm
7,993.906219
false
[CIF] data_MoPdRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77343461 _cell_length_b 2.77343461 _cell_length_c 8.89466000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPdRu2 _chemical_formula_sum 'Mo1 Pd1 Ru2' _cell_volume 59.25102177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 0.00000000 4.44733000 1 Ru Ru2 1 1.38671730 0.80062161 2.15385081 1 Ru Ru3 1 1.38671730 0.80062161 6.74080919 1 [/CIF]
MoPdRu2
P-6m2
187
hexagonal
-6m2
11,336.873881
false
[CIF] data_BIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09390220 _cell_length_b 5.09390220 _cell_length_c 5.09390220 _cell_angle_alpha 149.00900384 _cell_angle_beta 149.00900384 _cell_angle_gamma 44.39805313 _symmetry_Int_Tables_number 1 _chemical_formula_structural BIrRh _chemical_formula_sum 'B1 Ir1 Rh1' _cell_volume 34.93949418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05515244 1 Ir Ir1 1 0.00000000 0.00000000 6.00130036 1 Rh Rh2 1 -0.00000000 0.00000000 3.37620101 1 [/CIF]
BIrRh
I4mm
107
tetragonal
4mm
14,539.836377
false
[CIF] data_Zr3Fe5Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86543062 _cell_length_b 7.86543062 _cell_length_c 5.43668602 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Fe5Sb _chemical_formula_sum 'Zr6 Fe10 Sb2' _cell_volume 291.27948204 _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 Fe Fe0 1 2.68675111 4.65358943 4.07751451 1 Fe Fe1 1 2.49192840 0.00000000 4.07751451 1 Fe Fe2 1 -1.24596420 2.15807330 4.07751451 1 Fe Fe3 1 1.24596420 2.15807330 1.35917150 1 Fe Fe4 1 5.37350222 0.00000000 1.35917150 1 Fe Fe5 1 -2.68675111 4.65358943 1.35917150 1 Fe Fe6 1 -0.00000000 4.54110849 2.71834301 1 Fe Fe7 1 3.93271531 2.27055424 0.00000000 1 Fe Fe8 1 3.93271531 2.27055424 2.71834301 1 Fe Fe9 1 -0.00000000 4.54110849 0.00000000 1 Sb Sb10 1 0.00000000 0.00000000 2.71834301 1 Sb Sb11 1 0.00000000 0.00000000 0.00000000 1 Zr Zr12 1 1.43671328 2.48846040 4.07751451 1 Zr Zr13 1 4.99200406 0.00000000 4.07751451 1 Zr Zr14 1 -2.49600203 4.32320233 4.07751451 1 Zr Zr15 1 2.49600203 4.32320233 1.35917150 1 Zr Zr16 1 2.87342657 0.00000000 1.35917150 1 Zr Zr17 1 -1.43671328 2.48846040 1.35917150 1 [/CIF]
Fe10Sb2Zr6
P6_3/mcm
193
hexagonal
6/mmm
7,692.229447
false
[CIF] data_MnB2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99350264 _cell_length_b 4.99350264 _cell_length_c 4.99350264 _cell_angle_alpha 36.57663782 _cell_angle_beta 36.57663782 _cell_angle_gamma 36.57663782 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnB2Mo _chemical_formula_sum 'Mn1 B2 Mo1' _cell_volume 39.58639335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64950782 1 B B1 1 -0.00000000 -0.00000000 10.31299270 1 Mn Mn2 1 -0.00000000 -0.00000000 -0.00000000 1 Mo Mo3 1 -0.00000000 0.00000000 6.98125026 1 [/CIF]
B2MnMo
R-3m
166
trigonal
-3m
7,253.96813
false
[CIF] data_Cu(RhSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34426245 _cell_length_b 7.34426245 _cell_length_c 7.34426245 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu(RhSe2)2 _chemical_formula_sum 'Cu2 Rh4 Se8' _cell_volume 280.11061452 _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 Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 2.59658889 2.59658889 2.59658889 1 Rh Rh2 1 3.89488334 3.89488333 6.49147223 1 Rh Rh3 1 3.89488334 6.49147223 3.89488334 1 Rh Rh4 1 6.49147222 3.89488334 3.89488334 1 Rh Rh5 1 6.49147222 6.49147223 6.49147223 1 Se Se6 1 3.99421352 3.99421352 3.99421352 1 Se Se7 1 3.99421352 6.39214204 6.39214204 1 Se Se8 1 6.39214204 3.99421352 6.39214204 1 Se Se9 1 6.59080241 6.59080241 8.98873093 1 Se Se10 1 6.39214204 6.39214204 3.99421352 1 Se Se11 1 8.98873093 8.98873093 8.98873093 1 Se Se12 1 6.59080241 8.98873093 6.59080241 1 Se Se13 1 8.98873093 6.59080241 6.59080241 1 [/CIF]
Cu2Rh4Se8
Fd-3m
227
cubic
m-3m
6,938.276736
false
[CIF] data_HfTaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47476556 _cell_length_b 4.47476556 _cell_length_c 4.47476556 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaP2 _chemical_formula_sum 'Hf1 Ta1 P2' _cell_volume 63.35718341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 1.58206854 1.58206854 1.58206854 1 P P2 1 4.74620561 4.74620561 4.74620561 1 Ta Ta3 1 3.16413707 3.16413707 3.16413707 1 [/CIF]
HfP2Ta
Fm-3m
225
cubic
m-3m
11,044.160864
false
[CIF] data_BaYTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67768823 _cell_length_b 5.67768823 _cell_length_c 5.67768823 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYTe2 _chemical_formula_sum 'Ba1 Y1 Te2' _cell_volume 129.41947265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.01473185 4.01473185 4.01473185 1 Te Te1 1 6.02209778 6.02209778 6.02209778 1 Te Te2 1 2.00736593 2.00736593 2.00736593 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaTe2Y
Fm-3m
225
cubic
m-3m
6,177.107965
false
[CIF] data_Ni2BRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61305152 _cell_length_b 2.61305152 _cell_length_c 6.15335776 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2BRh _chemical_formula_sum 'Ni2 B1 Rh1' _cell_volume 42.01536213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68084436 1 Ni Ni1 1 1.30652576 1.30652576 5.86832112 1 Ni Ni2 1 0.00000000 0.00000000 1.46625771 1 Rh Rh3 1 1.30652576 1.30652576 3.36797114 1 [/CIF]
BNi2Rh
P4mm
99
tetragonal
4mm
9,133.708211
false
[CIF] data_MgFeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20074530 _cell_length_b 4.20074530 _cell_length_c 2.68845009 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeOs _chemical_formula_sum 'Mg1 Fe1 Os1' _cell_volume 41.08519110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.42530144 2.67479930 1 Mg Mg1 1 0.00000000 0.00000000 0.81189878 1 Os Os2 1 2.10037263 1.21265073 1.89020210 1 [/CIF]
FeMgOs
P3m1
156
trigonal
3m
10,927.941215
false
[CIF] data_ScInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55831066 _cell_length_b 4.55831066 _cell_length_c 4.55831066 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInCu _chemical_formula_sum 'Sc1 In1 Cu1' _cell_volume 66.97253888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22321238 3.22321238 3.22321238 1 In In1 1 4.83481857 4.83481857 4.83481857 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuInSc
F-43m
216
cubic
-43m
5,537.067049
false
[CIF] data_MoIrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84586514 _cell_length_b 4.84586514 _cell_length_c 4.84586514 _cell_angle_alpha 139.94282815 _cell_angle_beta 139.94282815 _cell_angle_gamma 57.94011616 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoIrPd _chemical_formula_sum 'Mo1 Ir1 Pd1' _cell_volume 46.71023217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.38051445 1 Mo Mo1 1 -0.00000000 0.00000000 2.92781877 1 Pd Pd2 1 0.00000000 -0.00000000 5.64973195 1 [/CIF]
IrMoPd
I4mm
107
tetragonal
4mm
14,027.841515
false
[CIF] data_ZrSbP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14433506 _cell_length_b 6.14433506 _cell_length_c 3.92817057 _cell_angle_alpha 90.64392697 _cell_angle_beta 90.64392697 _cell_angle_gamma 34.40427815 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSbP2 _chemical_formula_sum 'Zr1 Sb1 P2' _cell_volume 83.78774467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.35840566 0.00000000 3.47082108 1 P P1 1 8.59046755 -0.00000000 1.44030264 1 Sb Sb2 1 5.88010128 -0.00000000 1.49511525 1 Zr Zr3 1 3.40290384 -0.00000000 3.41350782 1 [/CIF]
P2SbZr
Cm
8
monoclinic
m
5,448.703006
false
[CIF] data_Li3TlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66687446 _cell_length_b 4.66687446 _cell_length_c 4.66687446 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3TlRh _chemical_formula_sum 'Li3 Tl1 Rh1' _cell_volume 101.64320607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 2.33343723 2.33343723 2.33343723 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 0.00000000 2.33343723 0.00000000 1 Li Li3 1 0.00000000 0.00000000 2.33343723 1 Li Li4 1 2.33343723 0.00000000 0.00000000 1 [/CIF]
Li3RhTl
Pm-3m
221
cubic
m-3m
5,360.343138
false
[CIF] data_W3IN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85479532 _cell_length_b 4.85479532 _cell_length_c 4.85479532 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W3IN _chemical_formula_sum 'W3 I1 N1' _cell_volume 114.42285343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.42739766 2.42739766 2.42739766 1 W W1 1 2.42739766 0.00000000 2.42739766 1 W W2 1 2.42739766 2.42739766 0.00000000 1 W W3 1 0.00000000 2.42739766 2.42739766 1 N N4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
INW3
Pm-3m
221
cubic
m-3m
10,048.770628
false
[CIF] data_Mg2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.57845653 _cell_length_b 12.57845653 _cell_length_c 12.57845653 _cell_angle_alpha 161.07425518 _cell_angle_beta 161.07425518 _cell_angle_gamma 26.88962590 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Fe _chemical_formula_sum 'Mg8 Fe4' _cell_volume 209.27728902 _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 Fe Fe0 1 0.00000000 2.06800466 8.38290710 1 Fe Fe1 1 0.00000000 2.06800466 3.85082831 1 Fe Fe2 1 0.00000000 -0.00000000 2.26603940 1 Fe Fe3 1 0.00000000 0.00000000 22.20143142 1 Mg Mg4 1 0.00000000 2.06800466 12.21454080 1 Mg Mg5 1 0.00000000 2.06800466 0.01919461 1 Mg Mg6 1 0.00000000 0.00000000 6.09767310 1 Mg Mg7 1 0.00000000 0.00000000 18.36979772 1 Mg Mg8 1 2.06800466 0.00000000 4.01660374 1 Mg Mg9 1 2.06800466 0.00000000 8.21713167 1 Mg Mg10 1 0.00000000 -0.00000000 10.13347145 1 Mg Mg11 1 0.00000000 -0.00000000 14.33399937 1 [/CIF]
Fe4Mg8
I4_1/amd
141
tetragonal
4/mmm
3,315.249524
false