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_BaFeReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67253635 _cell_length_b 4.67253635 _cell_length_c 4.67253635 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeReMo _chemical_formula_sum 'Ba1 Fe1 Re1 Mo1' _cell_volume 72.13450713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65199107 1.65199107 1.65199107 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 3.30398214 3.30398214 3.30398214 1 Re Re3 1 4.95597321 4.95597321 4.95597321 1 [/CIF]
BaFeMoRe
F-43m
216
cubic
-43m
10,942.321654
false
[CIF] data_VCd2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30684016 _cell_length_b 5.30684016 _cell_length_c 5.30684016 _cell_angle_alpha 131.93104594 _cell_angle_beta 131.93104594 _cell_angle_gamma 70.33795414 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCd2Se _chemical_formula_sum 'V1 Cd2 Se1' _cell_volume 81.06482341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16140321 0.00000000 2.16905653 1 Cd Cd1 1 0.00000000 -0.00000000 4.33811305 1 Se Se2 1 -0.00000000 2.16140321 2.16905653 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2SeV
I-4m2
119
tetragonal
-42m
7,266.187784
false
[CIF] data_AlCrCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72676280 _cell_length_b 4.72676280 _cell_length_c 4.72676280 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrCd2 _chemical_formula_sum 'Al1 Cr1 Cd2' _cell_volume 74.67520601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 5.01348905 5.01348905 5.01348904 1 Cd Cd2 1 1.67116302 1.67116301 1.67116301 1 Cr Cr3 1 3.34232603 3.34232603 3.34232603 1 [/CIF]
AlCd2Cr
Fm-3m
225
cubic
m-3m
6,755.537685
false
[CIF] data_ScBeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95322034 _cell_length_b 5.95322034 _cell_length_c 5.95322034 _cell_angle_alpha 146.89503684 _cell_angle_beta 146.89503684 _cell_angle_gamma 47.51922248 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBeBi _chemical_formula_sum 'Sc1 Be1 Bi1' _cell_volume 62.69280966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.84088709 1 Bi Bi1 1 0.00000000 -0.00000000 7.05083761 1 Sc Sc2 1 -0.00000000 0.00000000 3.90286985 1 [/CIF]
BeBiSc
I4mm
107
tetragonal
4mm
6,964.723445
false
[CIF] data_VInOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06928790 _cell_length_b 3.06928790 _cell_length_c 6.59430100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VInOs2 _chemical_formula_sum 'V1 In1 Os2' _cell_volume 62.12179862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29715050 1 Os Os1 1 1.53464395 1.53464395 5.15592529 1 Os Os2 1 1.53464395 1.53464395 1.43837571 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InOs2V
P4/mmm
123
tetragonal
4/mmm
14,600.652893
false
[CIF] data_TlSnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30691744 _cell_length_b 3.30691744 _cell_length_c 10.92860608 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.85306889 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSnSb2 _chemical_formula_sum 'Tl1 Sn1 Sb2' _cell_volume 113.75699021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 10.85028032 1 Sb Sb1 1 1.94718608 0.00000000 8.14995476 1 Sn Sn2 1 0.00000000 0.00000000 5.61952039 1 Tl Tl3 1 1.94718608 0.00000000 2.70175972 1 [/CIF]
Sb2SnTl
Cmm2
35
orthorhombic
mm2
8,270.995203
false
[CIF] data_ReSb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83318671 _cell_length_b 4.83318671 _cell_length_c 3.40933370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSb2Au _chemical_formula_sum 'Re1 Sb2 Au1' _cell_volume 79.64099120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41659335 2.41659335 0.00000000 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 2.41659335 1.70466685 1 Sb Sb3 1 2.41659335 0.00000000 1.70466685 1 [/CIF]
AuReSb2
P4/mmm
123
tetragonal
4/mmm
13,066.752917
false
[CIF] data_Sr2ZrTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15109435 _cell_length_b 5.87587443 _cell_length_c 6.30030593 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.82035222 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZrTa _chemical_formula_sum 'Sr2 Zr1 Ta1' _cell_volume 113.27574194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98039874 2.93793721 1.56241034 1 Sr Sr1 1 -0.33431141 2.93793721 4.55549851 1 Ta Ta2 1 0.82304367 0.00000000 3.05895443 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sr2TaZr
P2/m
10
monoclinic
2/m
6,558.729105
false
[CIF] data_La2HfNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.16734556 _cell_length_b 11.16734556 _cell_length_c 11.16734556 _cell_angle_alpha 17.18126336 _cell_angle_beta 17.18126336 _cell_angle_gamma 17.18126336 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HfNb _chemical_formula_sum 'La2 Hf1 Nb1' _cell_volume 106.03040707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.49996570 1 La La1 1 0.00000000 -0.00000000 8.30942299 1 La La2 1 0.00000000 -0.00000000 24.69050842 1 Nb Nb3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
HfLa2Nb
R-3m
166
trigonal
-3m
8,601.119581
false
[CIF] data_SrTlFePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38077322 _cell_length_b 5.38077322 _cell_length_c 5.38077322 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlFePb _chemical_formula_sum 'Sr1 Tl1 Fe1 Pb1' _cell_volume 110.15876720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.70717185 5.70717185 5.70717185 1 Sr Sr2 1 1.90239062 1.90239062 1.90239061 1 Tl Tl3 1 3.80478123 3.80478123 3.80478123 1 [/CIF]
FePbSrTl
F-43m
216
cubic
-43m
8,366.827348
false
[CIF] data_Mg(WO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47794784 _cell_length_b 5.47794784 _cell_length_c 10.34192500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.71581969 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(WO2)2 _chemical_formula_sum 'Mg2 W4 O8' _cell_volume 170.31188712 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.56884200 -4.11093228 2.58548125 1 Mg Mg1 1 1.56884200 4.11093228 7.75644375 1 W W2 1 1.56884200 -1.38944325 4.40325038 1 W W3 1 1.56884200 1.38944325 9.57421288 1 W W4 1 1.56884200 1.38944325 5.93867462 1 W W5 1 1.56884200 -1.38944325 0.76771212 1 O O6 1 1.56884200 2.40191896 1.19009702 1 O O7 1 1.56884200 -2.40191896 9.15182798 1 O O8 1 0.00000000 0.00000000 0.00000000 1 O O9 1 1.56884200 2.40191896 3.98086548 1 O O10 1 1.56884200 0.20372539 7.75644375 1 O O11 1 0.00000000 0.00000000 5.17096250 1 O O12 1 1.56884200 -0.20372539 2.58548125 1 O O13 1 1.56884200 -2.40191896 6.36105952 1 [/CIF]
Mg2O8W4
Cmcm
63
orthorhombic
mmm
8,891.650886
false
[CIF] data_SiBP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40664213 _cell_length_b 3.40664213 _cell_length_c 4.07876619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBP _chemical_formula_sum 'Si1 B1 P1' _cell_volume 40.99326105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 -0.00000002 1.96682576 2.03938309 1 Si Si2 1 1.70332105 0.98341289 0.00000000 1 [/CIF]
BPSi
P-6m2
187
hexagonal
-6m2
2,830.30957
false
[CIF] data_GeSbRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67572331 _cell_length_b 4.67572331 _cell_length_c 4.67572331 _cell_angle_alpha 128.20165494 _cell_angle_beta 119.24177509 _cell_angle_gamma 83.86179461 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeSbRh2 _chemical_formula_sum 'Ge1 Sb1 Rh2' _cell_volume 67.19422143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 2.36460350 1.97136524 1 Rh Rh2 1 2.04230356 -0.00000000 1.50714521 1 Sb Sb3 1 0.00000000 -0.00000000 3.47851045 1 [/CIF]
GeRh2Sb
Immm
71
orthorhombic
mmm
9,890.225473
false
[CIF] data_Ta2VZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27829073 _cell_length_b 4.27829073 _cell_length_c 3.49035731 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2VZn _chemical_formula_sum 'Ta2 V1 Zn1' _cell_volume 63.88670296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 2.13914537 0.00000000 1.74517866 1 Ta Ta1 1 0.00000000 2.13914537 1.74517866 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.13914537 2.13914537 0.00000000 1 [/CIF]
Ta2VZn
P4/mmm
123
tetragonal
4/mmm
12,429.964668
false
[CIF] data_LiHfTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36358780 _cell_length_b 4.48290603 _cell_length_c 4.85511711 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfTa2 _chemical_formula_sum 'Li1 Hf1 Ta2' _cell_volume 73.20860205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.68179390 2.24145301 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 0.00000000 2.24145301 2.42755856 1 Ta Ta3 1 1.68179390 0.00000000 2.42755856 1 [/CIF]
HfLiTa2
Pmmm
47
orthorhombic
mmm
12,414.62672
false
[CIF] data_Rb2CO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87389660 _cell_length_b 10.09575300 _cell_length_c 7.14942209 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.52974038 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2CO3 _chemical_formula_sum 'Rb8 C4 O12' _cell_volume 419.28126689 _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 C C0 1 0.64031436 4.19978004 5.28169247 1 C C1 1 3.64294924 9.24765654 5.32382111 1 C C2 1 1.17052536 0.84809646 1.74652128 1 C C3 1 4.17316024 5.89597296 1.78864991 1 O O4 1 1.66932955 3.67954004 4.67679633 1 O O5 1 3.58522536 0.36664999 4.85084963 1 O O6 1 4.73740320 8.55567011 5.17201442 1 O O7 1 -0.45413960 3.50779361 5.43349916 1 O O8 1 0.69803824 5.41452649 5.75466394 1 O O9 1 2.61393405 8.72741654 5.92871725 1 O O10 1 2.19954055 1.36833646 1.14162514 1 O O11 1 4.11543635 4.68122651 1.31567844 1 O O12 1 5.26761420 6.58795939 1.63684323 1 O O13 1 0.07607140 1.54008289 1.89832796 1 O O14 1 1.22824924 9.72910301 2.21949275 1 O O15 1 3.14414505 6.41621296 2.39354606 1 Rb Rb16 1 0.99796375 7.43559003 3.78618680 1 Rb Rb17 1 0.66519040 0.81796003 5.02099339 1 Rb Rb18 1 3.61807320 5.86583653 5.58452018 1 Rb Rb19 1 3.28529985 2.38771353 6.81932678 1 Rb Rb20 1 1.52817475 7.70803947 0.25101561 1 Rb Rb21 1 1.19540140 4.22991647 1.48582220 1 Rb Rb22 1 4.14828420 9.27779297 2.04934899 1 Rb Rb23 1 3.81551084 2.66016297 3.28415558 1 [/CIF]
C4O12Rb8
P2_1/c
14
monoclinic
2/m
3,658.56903
false
[CIF] data_ScV2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32900013 _cell_length_b 5.32900013 _cell_length_c 5.32900013 _cell_angle_alpha 146.57191674 _cell_angle_beta 134.66410540 _cell_angle_gamma 57.48453646 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScV2Ni _chemical_formula_sum 'Sc1 V2 Ni1' _cell_volume 58.82685280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67242284 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.53259511 0.00000000 2.47358663 1 V V3 1 -0.00000000 2.05374278 2.19883621 1 [/CIF]
NiScV2
Immm
71
orthorhombic
mmm
5,802.032879
false
[CIF] data_Sm4Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61923820 _cell_length_b 7.61923820 _cell_length_c 7.61923820 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4Co _chemical_formula_sum 'Sm8 Co2' _cell_volume 312.76608638 _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 Sm Sm0 1 4.15081255 4.15081255 4.15081255 1 Sm Sm1 1 6.62441745 6.62441745 4.15081255 1 Sm Sm2 1 6.62441745 4.15081255 6.62441745 1 Sm Sm3 1 6.84462005 6.84462005 9.31822495 1 Sm Sm4 1 9.31822495 9.31822495 9.31822495 1 Sm Sm5 1 4.15081255 6.62441745 6.62441745 1 Sm Sm6 1 6.84462005 9.31822495 6.84462005 1 Sm Sm7 1 9.31822495 6.84462005 6.84462005 1 Co Co8 1 0.00000000 0.00000000 0.00000000 1 Co Co9 1 2.69380750 2.69380750 2.69380750 1 [/CIF]
Co2Sm8
Fd-3m
227
cubic
m-3m
7,012.11248
false
[CIF] data_CaV4Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10834189 _cell_length_b 5.10834189 _cell_length_c 5.10834189 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV4Tc _chemical_formula_sum 'Ca1 V4 Tc1' _cell_volume 94.25944311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 1.80607159 1.80607159 1.80607159 1 V V2 1 2.70666332 2.70666332 4.51762306 1 V V3 1 2.70666332 4.51762306 2.70666332 1 V V4 1 4.51762306 2.70666332 2.70666332 1 V V5 1 4.51762306 4.51762306 4.51762306 1 [/CIF]
CaTcV4
F-43m
216
cubic
-43m
6,038.122849
false
[CIF] data_TiTl2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45708300 _cell_length_b 6.45708300 _cell_length_c 6.45708300 _cell_angle_alpha 151.72037256 _cell_angle_beta 130.03752642 _cell_angle_gamma 58.40341978 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTl2Cl _chemical_formula_sum 'Ti1 Tl2 Cl1' _cell_volume 96.98044960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93988707 1 Ti Ti1 1 1.57739369 0.00000000 3.10318453 1 Tl Tl2 1 -0.00000000 -0.00000000 0.47319021 1 Tl Tl3 1 0.00000000 2.72696460 2.75661088 1 [/CIF]
ClTiTl2
Imm2
44
orthorhombic
mm2
8,425.708757
false
[CIF] data_Hf2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17905857 _cell_length_b 3.17905857 _cell_length_c 7.33529297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2PtSe _chemical_formula_sum 'Hf2 Pt1 Se1' _cell_volume 74.13350310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.58952929 1.58952929 1.85285063 1 Hf Hf1 1 1.58952929 1.58952929 5.48244234 1 Pt Pt2 1 0.00000000 0.00000000 3.66764649 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2PtSe
P4/mmm
123
tetragonal
4/mmm
14,134.500059
false
[CIF] data_InReMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55970469 _cell_length_b 4.55970469 _cell_length_c 4.55970469 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InReMoPt _chemical_formula_sum 'In1 Re1 Mo1 Pt1' _cell_volume 67.03400275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.22419811 3.22419811 3.22419811 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.61209906 1.61209906 1.61209906 1 Re Re3 1 4.83629717 4.83629717 4.83629717 1 [/CIF]
InMoPtRe
F-43m
216
cubic
-43m
14,666.492591
false
[CIF] data_TeRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89861230 _cell_length_b 5.89861230 _cell_length_c 5.89861230 _cell_angle_alpha 149.22470924 _cell_angle_beta 149.22470924 _cell_angle_gamma 44.08065020 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeRhW _chemical_formula_sum 'Te1 Rh1 W1' _cell_volume 53.57771158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 -0.00000000 0.00000000 0.16279682 1 Te Te1 1 -0.00000000 0.00000000 3.56028187 1 W W2 1 0.00000000 0.00000000 7.21200444 1 [/CIF]
RhTeW
I4mm
107
tetragonal
4mm
12,841.849149
false
[CIF] data_Zr2ScRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35357116 _cell_length_b 3.35357116 _cell_length_c 7.39675595 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ScRe _chemical_formula_sum 'Zr2 Sc1 Re1' _cell_volume 83.18716847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 0.00000000 3.69837798 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.67678558 1.67678558 2.11827291 1 Zr Zr3 1 1.67678558 1.67678558 5.27848304 1 [/CIF]
ReScZr2
P4/mmm
123
tetragonal
4/mmm
8,256.28628
false
[CIF] data_BeV2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79999561 _cell_length_b 2.79999561 _cell_length_c 6.32036845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeV2Rh _chemical_formula_sum 'Be1 V2 Rh1' _cell_volume 49.55153327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28408032 1 Rh Rh1 1 1.39999781 1.39999781 4.55112680 1 V V2 1 0.00000000 0.00000000 6.24652057 1 V V3 1 1.39999781 1.39999781 1.71919337 1 [/CIF]
BeRhV2
P4mm
99
tetragonal
4mm
7,164.750746
false
[CIF] data_SrLaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65080064 _cell_length_b 5.65080064 _cell_length_c 5.65080064 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaSn2 _chemical_formula_sum 'Sr1 La1 Sn2' _cell_volume 127.58950680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.99357918 5.99357918 5.99357918 1 Sn Sn1 1 1.99785973 1.99785973 1.99785973 1 Sn Sn2 1 3.99571945 3.99571945 3.99571945 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaSn2Sr
F-43m
216
cubic
-43m
6,038.11079
false
[CIF] data_MnCo2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22555982 _cell_length_b 4.22555982 _cell_length_c 4.22555982 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCo2Hg _chemical_formula_sum 'Mn1 Co2 Hg1' _cell_volume 53.35041028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.48188300 4.48188300 4.48188300 1 Co Co1 1 1.49396100 1.49396100 1.49396100 1 Hg Hg2 1 2.98792200 2.98792200 2.98792200 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2HgMn
Fm-3m
225
cubic
m-3m
11,621.954607
false
[CIF] data_InAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04805763 _cell_length_b 4.04805763 _cell_length_c 4.04805763 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAs _chemical_formula_sum 'In1 As1' _cell_volume 46.90563955 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 2.86240900 2.86240900 2.86240900 1 [/CIF]
AsIn
Fm-3m
225
cubic
m-3m
6,717.103131
false
[CIF] data_Na2Co5Mo4(ClO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95426763 _cell_length_b 6.95426763 _cell_length_c 10.58992357 _cell_angle_alpha 105.85820671 _cell_angle_beta 105.85820671 _cell_angle_gamma 78.03756148 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Co5Mo4(ClO4)4 _chemical_formula_sum 'Na2 Co5 Mo4 Cl4 O16' _cell_volume 469.01509802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.69710726 2.64004839 1.21221032 1 Cl Cl1 1 6.69710726 -2.64004839 1.21221032 1 Cl Cl2 1 0.38440058 2.64004839 8.70111160 1 Cl Cl3 1 0.38440058 -2.64004839 8.70111160 1 Co Co4 1 1.48316311 1.56059075 3.62451035 1 Co Co5 1 1.48316311 -1.56059075 3.62451035 1 Co Co6 1 0.00000000 0.00000000 0.00000000 1 Co Co7 1 5.59834472 1.56059075 6.28881157 1 Co Co8 1 5.59834472 -1.56059075 6.28881157 1 Mo Mo9 1 4.67070873 -0.00000000 3.38593813 1 Mo Mo10 1 9.22884190 -0.00000000 3.06575537 1 Mo Mo11 1 -2.14733407 0.00000000 6.84756655 1 Mo Mo12 1 2.41079910 -0.00000000 6.52738379 1 Na Na13 1 7.25137423 0.00000000 0.11708436 1 Na Na14 1 -0.16986640 -0.00000000 9.79623756 1 O O15 1 5.45164838 1.45155045 4.10934852 1 O O16 1 5.45164838 -1.45155045 4.10934852 1 O O17 1 0.13115382 -0.00000000 3.72250512 1 O O18 1 2.86249635 -0.00000000 3.65124261 1 O O19 1 2.93338594 2.94044737 3.57324915 1 O O20 1 2.93338594 -2.94044737 3.57324915 1 O O21 1 4.97769003 -0.00000000 1.67177844 1 O O22 1 9.27233623 -0.00000000 1.28314460 1 O O23 1 -2.19082840 -0.00000000 8.63017732 1 O O24 1 2.10381781 -0.00000000 8.24154347 1 O O25 1 4.14812189 2.94044737 6.34007277 1 O O26 1 4.14812189 -2.94044737 6.34007277 1 O O27 1 4.21901148 -0.00000000 6.26207931 1 O O28 1 6.95035402 -0.00000000 6.19081680 1 O O29 1 1.62985946 1.45155045 5.80397340 1 O O30 1 1.62985946 -1.45155045 5.80397340 1 [/CIF]
Cl4Co5Mo4Na2O16
C2/m
12
monoclinic
2/m
3,973.43909
false
[CIF] data_Mn2ZnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95292921 _cell_length_b 4.95292921 _cell_length_c 4.95292921 _cell_angle_alpha 131.00921029 _cell_angle_beta 131.00921029 _cell_angle_gamma 71.79844624 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ZnTe _chemical_formula_sum 'Mn2 Zn1 Te1' _cell_volume 67.67973843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05358402 0.00000000 2.00605914 1 Mn Mn1 1 -0.00000000 2.05358402 2.00605914 1 Te Te2 1 0.00000000 -0.00000000 4.01211828 1 Zn Zn3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
Mn2TeZn
I4/mmm
139
tetragonal
4/mmm
7,430.648827
false
[CIF] data_SnPAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61658947 _cell_length_b 4.61658947 _cell_length_c 4.61658947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPAu _chemical_formula_sum 'Sn1 P1 Au1' _cell_volume 69.57428823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.26442172 3.26442172 3.26442172 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 4.89663258 4.89663258 4.89663258 1 [/CIF]
AuPSn
F-43m
216
cubic
-43m
8,273.55093
false
[CIF] data_ZrAg2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17602624 _cell_length_b 4.17602624 _cell_length_c 4.67380383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAg2Sn _chemical_formula_sum 'Zr1 Ag2 Sn1' _cell_volume 81.50737712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08801312 2.33690191 1 Ag Ag1 1 2.08801312 0.00000000 2.33690191 1 Sn Sn2 1 2.08801312 2.08801312 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2SnZr
P4/mmm
123
tetragonal
4/mmm
8,672.28258
false
[CIF] data_BaLiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66864798 _cell_length_b 3.66864798 _cell_length_c 9.38167441 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiBi2 _chemical_formula_sum 'Ba1 Li1 Bi2' _cell_volume 126.26774980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69083721 1 Bi Bi1 1 1.83432399 1.83432399 7.36658860 1 Bi Bi2 1 1.83432399 1.83432399 2.01508581 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBi2Li
P4/mmm
123
tetragonal
4/mmm
7,394.12434
false
[CIF] data_Ni2BiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57179401 _cell_length_b 5.57179401 _cell_length_c 5.57179401 _cell_angle_alpha 44.64383086 _cell_angle_beta 44.64383086 _cell_angle_gamma 44.64383086 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2BiSb _chemical_formula_sum 'Ni2 Bi1 Sb1' _cell_volume 77.68240668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.51104502 1 Ni Ni1 1 -0.00000000 0.00000000 4.38867777 1 Ni Ni2 1 0.00000000 -0.00000000 10.63341227 1 Sb Sb3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
BiNi2Sb
R-3m
166
trigonal
-3m
9,579.166684
false
[CIF] data_CuNiRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02130608 _cell_length_b 5.02130608 _cell_length_c 5.02130608 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNiRu4 _chemical_formula_sum 'Cu1 Ni1 Ru4' _cell_volume 89.52309490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77529979 1.77529979 1.77529979 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 2.66146781 4.43973135 2.66146781 1 Ru Ru3 1 4.43973135 2.66146781 2.66146781 1 Ru Ru4 1 4.43973135 4.43973135 4.43973135 1 Ru Ru5 1 2.66146781 2.66146781 4.43973135 1 [/CIF]
CuNiRu4
F-43m
216
cubic
-43m
9,766.262371
false
[CIF] data_KZrTcOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76971118 _cell_length_b 4.76971118 _cell_length_c 4.76971118 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrTcOs _chemical_formula_sum 'K1 Zr1 Tc1 Os1' _cell_volume 76.72930216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 5.05904268 5.05904268 5.05904268 1 Tc Tc2 1 1.68634756 1.68634756 1.68634756 1 Zr Zr3 1 3.37269512 3.37269512 3.37269512 1 [/CIF]
KOsTcZr
F-43m
216
cubic
-43m
9,077.721372
false
[CIF] data_RbMnCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23357195 _cell_length_b 7.23357195 _cell_length_c 17.97433500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbMnCl3 _chemical_formula_sum 'Rb6 Mn6 Cl18' _cell_volume 814.49622306 _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 Rb Rb0 1 0.00000000 0.00000000 13.48075125 1 Rb Rb1 1 3.61678598 2.08815236 16.47676733 1 Rb Rb2 1 -0.00000000 4.17630471 1.49756767 1 Rb Rb3 1 0.00000000 0.00000000 4.49358375 1 Rb Rb4 1 -0.00000000 4.17630471 7.48959983 1 Rb Rb5 1 3.61678598 2.08815236 10.48473517 1 Mn Mn6 1 3.61678598 2.08815236 2.90019490 1 Mn Mn7 1 -0.00000000 4.17630471 11.88736240 1 Mn Mn8 1 3.61678598 2.08815236 6.08697260 1 Mn Mn9 1 0.00000000 0.00000000 8.98716750 1 Mn Mn10 1 -0.00000000 4.17630471 15.07414010 1 Mn Mn11 1 0.00000000 0.00000000 0.00000000 1 Cl Cl12 1 3.61678598 4.19059603 7.50967716 1 Cl Cl13 1 1.79601635 1.03693052 1.47749034 1 Cl Cl14 1 0.00000000 2.07386104 10.46465784 1 Cl Cl15 1 1.89855404 3.08017403 4.49358375 1 Cl Cl16 1 5.43755561 1.03693052 1.47749034 1 Cl Cl17 1 0.00000000 6.16034806 13.48075125 1 Cl Cl18 1 1.82076963 5.22752655 16.49684466 1 Cl Cl19 1 -1.82076963 5.22752655 10.46465784 1 Cl Cl20 1 -1.82076963 5.22752655 16.49684466 1 Cl Cl21 1 1.71823194 3.18428304 13.48075125 1 Cl Cl22 1 5.33501791 3.08017403 4.49358375 1 Cl Cl23 1 1.82076963 5.22752655 10.46465784 1 Cl Cl24 1 0.00000000 2.07386104 16.49684466 1 Cl Cl25 1 5.43755561 1.03693052 7.50967716 1 Cl Cl26 1 3.61678598 0.10410901 4.49358375 1 Cl Cl27 1 1.79601635 1.03693052 7.50967716 1 Cl Cl28 1 3.61678598 4.19059603 1.47749034 1 Cl Cl29 1 -1.71823194 3.18428304 13.48075125 1 [/CIF]
Cl18Mn6Rb6
P6_3/mmc
194
hexagonal
6/mmm
3,018.523516
false
[CIF] data_LiMnBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85095395 _cell_length_b 3.85095395 _cell_length_c 3.85095395 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnBe _chemical_formula_sum 'Li1 Mn1 Be1' _cell_volume 40.38220017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08455347 4.08455347 4.08455348 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 2.72303565 2.72303565 2.72303565 1 [/CIF]
BeLiMn
F-43m
216
cubic
-43m
2,915.087624
false
[CIF] data_MgNbAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61461393 _cell_length_b 4.61461393 _cell_length_c 4.61461393 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbAl2 _chemical_formula_sum 'Mg1 Nb1 Al2' _cell_volume 69.48500920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.89453720 4.89453720 4.89453720 1 Al Al1 1 1.63151240 1.63151240 1.63151240 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 3.26302480 3.26302480 3.26302480 1 [/CIF]
Al2MgNb
Fm-3m
225
cubic
m-3m
4,090.69347
false
[CIF] data_BiTeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16290450 _cell_length_b 5.16290450 _cell_length_c 5.16290450 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiTeAu2 _chemical_formula_sum 'Bi1 Te1 Au2' _cell_volume 97.31219679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82536239 1.82536239 1.82536239 1 Au Au1 1 3.65072478 3.65072478 3.65072478 1 Bi Bi2 1 5.47608717 5.47608717 5.47608717 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BiTe
F-43m
216
cubic
-43m
12,465.511092
false
[CIF] data_SrCaBeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02770094 _cell_length_b 5.02770094 _cell_length_c 5.02770094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaBeOs _chemical_formula_sum 'Sr1 Ca1 Be1 Os1' _cell_volume 89.86556588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 5.33268214 5.33268214 5.33268214 1 Os Os2 1 3.55512143 3.55512143 3.55512143 1 Sr Sr3 1 1.77756071 1.77756071 1.77756071 1 [/CIF]
BeCaOsSr
F-43m
216
cubic
-43m
6,041.212108
false
[CIF] data_La2NbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49370933 _cell_length_b 3.49370933 _cell_length_c 9.17900956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbBr _chemical_formula_sum 'La2 Nb1 Br1' _cell_volume 112.03903551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.74685467 1.74685467 2.46125852 1 La La2 1 1.74685467 1.74685467 6.71775104 1 Nb Nb3 1 0.00000000 0.00000000 4.58950478 1 [/CIF]
BrLa2Nb
P4/mmm
123
tetragonal
4/mmm
6,678.692857
false
[CIF] data_Hf2BeTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86728394 _cell_length_b 4.86728394 _cell_length_c 4.86728394 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BeTl _chemical_formula_sum 'Hf2 Be1 Tl1' _cell_volume 81.53518271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.44168948 3.44168948 3.44168948 1 Hf Hf2 1 5.16253422 5.16253422 5.16253422 1 Tl Tl3 1 1.72084474 1.72084474 1.72084474 1 [/CIF]
BeHf2Tl
F-43m
216
cubic
-43m
11,616.221845
false
[CIF] data_ScCu2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91207393 _cell_length_b 3.91207393 _cell_length_c 3.77014466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCu2Os _chemical_formula_sum 'Sc1 Cu2 Os1' _cell_volume 57.69950950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95603697 1.88507233 1 Cu Cu1 1 1.95603697 0.00000000 1.88507233 1 Os Os2 1 1.95603697 1.95603697 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2OsSc
P4/mmm
123
tetragonal
4/mmm
10,426.026687
false
[CIF] data_SiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96742100 _cell_length_b 6.96742100 _cell_length_c 6.47197600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiO2 _chemical_formula_sum 'Si5 O10' _cell_volume 314.18178621 _cell_formula_units_Z 5 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87714166 4.00688448 1 Si Si1 1 5.09027934 0.00000000 2.46509152 1 Si Si2 1 1.87714166 0.00000000 2.46509152 1 Si Si3 1 0.00000000 5.09027934 4.00688448 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 O O5 1 0.00000000 1.33962604 5.54439298 1 O O6 1 5.62779496 0.00000000 0.92758302 1 O O7 1 1.33962604 0.00000000 0.92758302 1 O O8 1 0.00000000 5.62779496 5.54439298 1 O O9 1 1.33737556 1.33737556 3.23598800 1 O O10 1 5.63004544 1.33737556 3.23598800 1 O O11 1 1.33737556 5.63004544 3.23598800 1 O O12 1 5.63004544 5.63004544 3.23598800 1 O O13 1 0.00000000 3.48371050 4.00925322 1 O O14 1 3.48371050 0.00000000 2.46272278 1 [/CIF]
O10Si5
P-4m2
115
tetragonal
-42m
1,587.812086
false
[CIF] data_Hg3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.80858894 _cell_length_b 10.80858894 _cell_length_c 10.80858894 _cell_angle_alpha 16.86779771 _cell_angle_beta 16.86779771 _cell_angle_gamma 16.86779771 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg3Au _chemical_formula_sum 'Hg3 Au1' _cell_volume 92.73653137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 -0.00000000 23.76694647 1 Hg Hg2 1 0.00000000 0.00000000 15.97868190 1 Hg Hg3 1 -0.00000000 -0.00000000 8.19041732 1 [/CIF]
AuHg3
R-3m
166
trigonal
-3m
14,302.166117
false
[CIF] data_Y2Si5Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87323213 _cell_length_b 7.87323213 _cell_length_c 7.87323213 _cell_angle_alpha 105.09175461 _cell_angle_beta 89.89179101 _cell_angle_gamma 137.86131701 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Si5Ni3 _chemical_formula_sum 'Y4 Si10 Ni6' _cell_volume 302.06705922 _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 Ni Ni0 1 4.78791707 0.00000000 1.41520379 1 Ni Ni1 1 -0.00000000 5.57247048 1.41520380 1 Ni Ni2 1 5.86295810 4.07928316 -0.00000000 1 Ni Ni3 1 -1.07504103 1.49318732 2.83040759 1 Ni Ni4 1 3.71287604 4.07928316 2.83040759 1 Ni Ni5 1 1.07504103 1.49318732 -0.00000000 1 Si Si6 1 -0.00000000 0.00000000 1.41520379 1 Si Si7 1 -0.00000000 -0.00000000 4.24561139 1 Si Si8 1 4.78791707 2.60593211 1.41520380 1 Si Si9 1 4.78791707 -2.60593211 1.41520379 1 Si Si10 1 0.00000000 2.96653837 1.41520379 1 Si Si11 1 0.00000000 8.17840259 1.41520380 1 Si Si12 1 3.33257711 -1.19876311 2.83040759 1 Si Si13 1 1.45533996 6.77123359 -0.00000000 1 Si Si14 1 1.45533996 4.37370737 2.83040759 1 Si Si15 1 3.33257711 1.19876311 0.00000000 1 Y Y16 1 7.30814840 1.46178974 -0.00000000 1 Y Y17 1 -2.52023133 4.11068074 2.83040759 1 Y Y18 1 2.26768574 1.46178974 2.83040759 1 Y Y19 1 2.52023133 4.11068074 -0.00000000 1 [/CIF]
Ni6Si10Y4
Ibam
72
orthorhombic
mmm
5,434.797672
false
[CIF] data_Mo4PRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15141797 _cell_length_b 5.15141797 _cell_length_c 5.15141797 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo4PRu _chemical_formula_sum 'Mo4 P1 Ru1' _cell_volume 96.66413483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.56058411 2.72462105 4.56058411 1 Mo Mo1 1 2.72462105 4.56058411 4.56058411 1 Mo Mo2 1 2.72462105 2.72462105 2.72462105 1 Mo Mo3 1 4.56058411 4.56058411 2.72462105 1 P P4 1 0.00000000 0.00000000 0.00000000 1 Ru Ru5 1 5.46390387 5.46390387 5.46390387 1 [/CIF]
Mo4PRu
F-43m
216
cubic
-43m
8,862.078393
false
[CIF] data_Hg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82144750 _cell_length_b 5.82144750 _cell_length_c 5.82144750 _cell_angle_alpha 144.89511784 _cell_angle_beta 132.27933621 _cell_angle_gamma 60.60376923 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2Pb _chemical_formula_sum 'Hg2 Pb1' _cell_volume 83.11560471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31720612 1 Hg Hg1 1 -0.00000000 -0.00000000 6.73502440 1 Pb Pb2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2Pb
Immm
71
orthorhombic
mmm
12,154.621997
false
[CIF] data_SrZnHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13195406 _cell_length_b 5.13195406 _cell_length_c 5.13195406 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnHgMo _chemical_formula_sum 'Sr1 Zn1 Hg1 Mo1' _cell_volume 95.57257415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81441976 1.81441976 1.81441976 1 Mo Mo1 1 5.44325928 5.44325928 5.44325928 1 Sr Sr2 1 3.62883952 3.62883952 3.62883952 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgMoSrZn
F-43m
216
cubic
-43m
7,810.769397
false
[CIF] data_Ti3Ni4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75566941 _cell_length_b 5.75566941 _cell_length_c 5.75566941 _cell_angle_alpha 90.22424946 _cell_angle_beta 90.22424946 _cell_angle_gamma 90.22424946 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Ni4 _chemical_formula_sum 'Ti6 Ni8' _cell_volume 190.66787110 _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 Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 0.00000000 2.41658727 4.64591772 1 Ni Ni2 1 -2.09282596 1.20829363 5.28409954 1 Ni Ni3 1 2.09282596 1.20829363 5.28409954 1 Ni Ni4 1 -0.00000000 -0.00000000 4.96500863 1 Ni Ni5 1 -2.09282596 -1.20829363 4.64591772 1 Ni Ni6 1 2.09282596 -1.20829363 4.64591772 1 Ni Ni7 1 0.00000000 -2.41658727 5.28409954 1 Ti Ti8 1 -1.63787133 0.94562545 2.99427222 1 Ti Ti9 1 1.63787133 0.94562545 2.99427222 1 Ti Ti10 1 0.00000000 1.89125090 6.93574505 1 Ti Ti11 1 0.00000000 -1.89125090 2.99427222 1 Ti Ti12 1 -1.63787133 -0.94562545 6.93574505 1 Ti Ti13 1 1.63787133 -0.94562545 6.93574505 1 [/CIF]
Ni8Ti6
R-3m
166
trigonal
-3m
6,590.578701
false
[CIF] data_MgNbZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94273074 _cell_length_b 2.94273074 _cell_length_c 7.75451178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbZn2 _chemical_formula_sum 'Mg1 Nb1 Zn2' _cell_volume 67.15146811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 3.76571577 1 Nb Nb1 1 1.47136537 1.47136537 5.97682818 1 Zn Zn2 1 0.00000000 0.00000000 0.11153741 1 Zn Zn3 1 1.47136537 1.47136537 1.77768631 1 [/CIF]
MgNbZn2
P4mm
99
tetragonal
4mm
6,131.90114
false
[CIF] data_V2BMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56894246 _cell_length_b 2.56894246 _cell_length_c 7.52029836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2BMo _chemical_formula_sum 'V2 B1 Mo1' _cell_volume 49.62994854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.68716333 1 Mo Mo1 1 1.28447123 1.28447123 5.29031624 1 V V2 1 0.00000000 0.00000000 0.04591556 1 V V3 1 1.28447123 1.28447123 2.25705241 1 [/CIF]
BMoV2
P4mm
99
tetragonal
4mm
6,981.230659
false
[CIF] data_ScInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61667635 _cell_length_b 4.61667635 _cell_length_c 3.09580787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInIr _chemical_formula_sum 'Sc1 In1 Ir1' _cell_volume 57.14305977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.66543935 0.49647762 1 Ir Ir1 1 2.30833815 1.33271968 0.55914157 1 Sc Sc2 1 0.00000000 0.00000000 2.04018868 1 [/CIF]
InIrSc
P3m1
156
trigonal
3m
10,228.620277
false
[CIF] data_AlVTcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38511015 _cell_length_b 4.38511015 _cell_length_c 4.38511015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVTcAu _chemical_formula_sum 'Al1 V1 Tc1 Au1' _cell_volume 59.62474320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 4.65111168 4.65111168 4.65111168 1 Tc Tc2 1 1.55037056 1.55037056 1.55037056 1 V V3 1 3.10074112 3.10074112 3.10074112 1 [/CIF]
AlAuTcV
F-43m
216
cubic
-43m
10,410.150353
false
[CIF] data_LiGe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00564805 _cell_length_b 5.00564805 _cell_length_c 3.74900093 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.91812456 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGe2Te _chemical_formula_sum 'Li1 Ge2 Te1' _cell_volume 87.74565637 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.41908853 -2.06162942 1.87450046 1 Ge Ge1 1 1.41908853 2.06162941 1.87450046 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.83817706 0.00000000 0.00000000 1 [/CIF]
Ge2LiTe
Cmmm
65
orthorhombic
mmm
5,295.461011
false
[CIF] data_KPtSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35767048 _cell_length_b 5.35767048 _cell_length_c 2.91574848 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPtSe2 _chemical_formula_sum 'K1 Pt1 Se2' _cell_volume 83.69548996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67883524 2.67883524 0.00000000 1 Se Se2 1 2.67883524 0.00000000 1.45787424 1 Se Se3 1 0.00000000 2.67883524 1.45787424 1 [/CIF]
KPtSe2
P4/mmm
123
tetragonal
4/mmm
7,779.408422
false
[CIF] data_TaGaCoAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39818876 _cell_length_b 4.39818876 _cell_length_c 4.39818876 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGaCoAg _chemical_formula_sum 'Ta1 Ga1 Co1 Ag1' _cell_volume 60.15982945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55499455 1.55499455 1.55499455 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 3.10998910 3.10998910 3.10998910 1 Ta Ta3 1 4.66498365 4.66498365 4.66498365 1 [/CIF]
AgCoGaTa
F-43m
216
cubic
-43m
11,523.121462
false
[CIF] data_MgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92782944 _cell_length_b 5.92782944 _cell_length_c 5.27977697 _cell_angle_alpha 105.88918723 _cell_angle_beta 105.88918723 _cell_angle_gamma 33.25715731 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn _chemical_formula_sum 'Mg2 Sn2' _cell_volume 97.50101066 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 8.86165427 0.00000000 3.58692089 1 Mg Mg1 1 0.98962653 -0.00000000 1.47274804 1 Sn Sn2 1 4.00673516 -0.00000000 1.10481064 1 Sn Sn3 1 5.84454563 -0.00000000 3.95485829 1 [/CIF]
Mg2Sn2
C2/m
12
monoclinic
2/m
4,871.375035
false
[CIF] data_Ge2SbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12543540 _cell_length_b 3.59801020 _cell_length_c 7.15475899 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.51742807 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2SbPd _chemical_formula_sum 'Ge2 Sb1 Pd1' _cell_volume 80.20780968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 2.91928723 0.00000000 0.40164323 1 Ge Ge1 1 1.36500072 1.79900510 1.89956272 1 Pd Pd2 1 -0.25566474 0.00000000 3.36195791 1 Sb Sb3 1 1.37695938 1.79900510 5.03563447 1 [/CIF]
Ge2PdSb
Pm
6
monoclinic
m
7,731.727401
false
[CIF] data_V3Co(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68438951 _cell_length_b 8.68438951 _cell_length_c 8.68438951 _cell_angle_alpha 58.31913728 _cell_angle_beta 58.31913728 _cell_angle_gamma 58.31913728 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Co(PO4)6 _chemical_formula_sum 'V3 Co1 P6 O24' _cell_volume 445.30412094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 0.00000000 -0.00000000 18.52143399 1 V V1 1 -0.00000000 -0.00000000 13.81799518 1 V V2 1 0.00000000 -0.00000000 7.77332902 1 Co Co3 1 -0.00000000 0.00000000 3.08414873 1 P P4 1 -1.17757679 -2.84138851 12.54114658 1 P P5 1 3.04950303 0.40088284 12.54114658 1 P P6 1 -1.87192624 2.44050567 12.54114658 1 P P7 1 1.81751027 -2.48406449 8.99781022 1 P P8 1 -3.06001809 -0.33197782 8.99781022 1 P P9 1 1.24250782 2.81604231 8.99781022 1 O O10 1 0.90761265 -1.23944999 14.91498967 1 O O11 1 -1.52720150 -0.16629062 14.91498967 1 O O12 1 -2.71752754 -2.66417520 12.40210803 1 O O13 1 0.61958885 1.40574061 14.91498967 1 O O14 1 -0.60987776 -1.40737498 12.75632392 1 O O15 1 -0.54591149 -3.37632894 11.28109087 1 O O16 1 3.66600718 -1.02136028 12.40210803 1 O O17 1 1.52376136 0.17551786 12.75632392 1 O O18 1 -0.91388361 1.23185712 12.75632392 1 O O19 1 2.69876968 -2.20681736 10.23400839 1 O O20 1 0.94589848 -3.70605675 9.08160955 1 O O21 1 -3.26054474 -1.23379442 10.23400839 1 O O22 1 3.19694237 1.21539125 11.28109087 1 O O23 1 -0.94847964 3.68553549 12.40210803 1 O O24 1 -2.65103089 2.16093769 11.28109087 1 O O25 1 0.96502446 -1.18529340 8.81385660 1 O O26 1 -1.50900643 -0.24308900 8.81385660 1 O O27 1 -3.68248853 1.03385626 9.08160955 1 O O28 1 0.56177506 3.44061179 10.23400839 1 O O29 1 0.54398196 1.42838240 8.81385660 1 O O30 1 -0.56151271 -1.43911453 6.62988305 1 O O31 1 2.73659005 2.67220048 9.08160955 1 O O32 1 1.52706610 0.23327300 6.62988305 1 O O33 1 -0.96555339 1.20584154 6.62988305 1 [/CIF]
CoO24P6V3
R3
146
trigonal
3
2,914.533797
false
[CIF] data_PRhSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54879051 _cell_length_b 4.54879051 _cell_length_c 4.54879051 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PRhSe2 _chemical_formula_sum 'P1 Rh1 Se2' _cell_volume 66.55379273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.82472092 4.82472092 4.82472092 1 Se Se2 1 3.21648061 3.21648061 3.21648061 1 Se Se3 1 1.60824031 1.60824031 1.60824031 1 [/CIF]
PRhSe2
F-43m
216
cubic
-43m
7,280.505192
false
[CIF] data_KPbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89496034 _cell_length_b 4.89496034 _cell_length_c 4.89496034 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPbW2 _chemical_formula_sum 'K1 Pb1 W2' _cell_volume 82.93398523 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.19188948 5.19188948 5.19188948 1 W W2 1 3.46125965 3.46125965 3.46125965 1 W W3 1 1.73062983 1.73062983 1.73062983 1 [/CIF]
KPbW2
F-43m
216
cubic
-43m
12,293.346749
false
[CIF] data_Mg2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60509590 _cell_length_b 5.60509590 _cell_length_c 5.60509590 _cell_angle_alpha 144.90319877 _cell_angle_beta 144.90319877 _cell_angle_gamma 50.47880364 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Al _chemical_formula_sum 'Mg2 Al1' _cell_volume 57.92170800 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 6.76000000 1 Mg Mg2 1 0.00000000 -0.00000000 3.38000000 1 [/CIF]
AlMg2
I4/mmm
139
tetragonal
4/mmm
2,167.109833
false
[CIF] data_CuW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08922836 _cell_length_b 5.08922836 _cell_length_c 5.08922836 _cell_angle_alpha 142.26005375 _cell_angle_beta 129.26579748 _cell_angle_gamma 64.93059481 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuW3 _chemical_formula_sum 'Cu1 W3' _cell_volume 61.63785181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 1.64596618 -0.00000000 2.20281353 1 W W2 1 0.00000000 0.00000000 4.29386706 1 W W3 1 -0.00000000 2.18030877 2.09105353 1 [/CIF]
CuW3
Immm
71
orthorhombic
mmm
16,570.031103
false
[CIF] data_Sr2IrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43444927 _cell_length_b 5.43444927 _cell_length_c 5.43444927 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2IrPb _chemical_formula_sum 'Sr2 Ir1 Pb1' _cell_volume 113.48843808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.84273593 3.84273593 3.84273593 1 Sr Sr2 1 5.76410389 5.76410389 5.76410389 1 Sr Sr3 1 1.92136796 1.92136797 1.92136797 1 [/CIF]
IrPbSr2
Fm-3m
225
cubic
m-3m
8,408.260917
false
[CIF] data_MgIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19395003 _cell_length_b 6.19395003 _cell_length_c 7.72273704 _cell_angle_alpha 107.14947231 _cell_angle_beta 107.14947231 _cell_angle_gamma 32.17849964 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIn2 _chemical_formula_sum 'Mg2 In4' _cell_volume 150.17420365 _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 7.65477174 0.00000000 6.39515872 1 In In1 1 1.87790996 0.00000000 0.95492788 1 In In2 1 9.14822722 0.00000000 3.42167266 1 In In3 1 0.38445448 0.00000000 3.92841394 1 Mg Mg4 1 5.13800171 -0.00000000 1.46742642 1 Mg Mg5 1 4.39467999 -0.00000000 5.88266019 1 [/CIF]
In4Mg2
C2/m
12
monoclinic
2/m
5,615.863988
false
[CIF] data_HfNb2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98339890 _cell_length_b 2.98339890 _cell_length_c 8.21722394 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.52849313 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb2Ir _chemical_formula_sum 'Hf1 Nb2 Ir1' _cell_volume 73.06758276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.91633854 1 Ir Ir1 1 2.06252336 0.00000000 2.01558996 1 Nb Nb2 1 0.00000000 0.00000000 0.20713584 1 Nb Nb3 1 2.06252336 0.00000000 6.18677157 1 [/CIF]
HfIrNb2
Cmm2
35
orthorhombic
mm2
12,647.507525
false
[CIF] data_Y4SbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04381774 _cell_length_b 6.04381774 _cell_length_c 6.04381774 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4SbIr _chemical_formula_sum 'Y4 Sb1 Ir1' _cell_volume 156.10581464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.41043677 6.41043677 6.41043676 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 3.21127425 5.33597477 5.33597477 1 Y Y3 1 5.33597477 5.33597477 3.21127425 1 Y Y4 1 5.33597477 3.21127425 5.33597477 1 Y Y5 1 3.21127425 3.21127425 3.21127425 1 [/CIF]
IrSbY4
F-43m
216
cubic
-43m
7,122.717535
false
[CIF] data_NaSiTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93126708 _cell_length_b 2.93126708 _cell_length_c 7.03221744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSiTc _chemical_formula_sum 'Na1 Si1 Tc1' _cell_volume 52.32794802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.04148544 1 Si Si1 1 -0.00000000 1.69236784 2.61311856 1 Tc Tc2 1 1.46563354 0.84618392 4.37761344 1 [/CIF]
NaSiTc
P3m1
156
trigonal
3m
4,759.408664
false
[CIF] data_CrSi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00638960 _cell_length_b 3.00638960 _cell_length_c 7.40227205 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.63361389 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSi2Sn _chemical_formula_sum 'Cr1 Si2 Sn1' _cell_volume 66.83387021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 2.07642403 0.00000000 1.28818817 1 Si Si2 1 2.07642403 0.00000000 6.11408388 1 Sn Sn3 1 0.00000000 0.00000000 3.70113602 1 [/CIF]
CrSi2Sn
Cmmm
65
orthorhombic
mmm
5,636.936581
false
[CIF] data_CaTi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66835457 _cell_length_b 4.66835457 _cell_length_c 3.48654360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTi2W _chemical_formula_sum 'Ca1 Ti2 W1' _cell_volume 75.98410785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 0.00000000 2.33417728 1.74327180 1 Ti Ti2 1 2.33417728 0.00000000 1.74327180 1 W W3 1 2.33417728 2.33417728 0.00000000 1 [/CIF]
CaTi2W
P4/mmm
123
tetragonal
4/mmm
6,985.600657
false
[CIF] data_InRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30796792 _cell_length_b 5.30796792 _cell_length_c 5.30796792 _cell_angle_alpha 148.90507480 _cell_angle_beta 63.43485607 _cell_angle_gamma 126.22105806 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRu3 _chemical_formula_sum 'In1 Ru3' _cell_volume 61.68633371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51522946 2.31225626 1 Ru Ru1 1 0.00000000 0.00000000 2.38613578 1 Ru Ru2 1 1.42272933 -2.12628179 1.65186899 1 Ru Ru3 1 1.42272933 2.12628179 1.65186899 1 [/CIF]
InRu3
Imm2
44
orthorhombic
mm2
11,252.927241
false
[CIF] data_NaMnHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06681279 _cell_length_b 5.06681279 _cell_length_c 3.28863936 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnHg2 _chemical_formula_sum 'Na1 Mn1 Hg2' _cell_volume 84.42789603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53340640 1.64431968 1 Hg Hg1 1 2.53340640 0.00000000 1.64431968 1 Mn Mn2 1 2.53340640 2.53340640 0.00000000 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2MnNa
P4/mmm
123
tetragonal
4/mmm
9,423.156091
false
[CIF] data_Si2RuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13087022 _cell_length_b 4.13087022 _cell_length_c 4.94322183 _cell_angle_alpha 101.65915100 _cell_angle_beta 101.65915100 _cell_angle_gamma 40.69051668 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2RuRh _chemical_formula_sum 'Si2 Ru1 Rh1' _cell_volume 53.70234358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.34044464 -0.00000000 2.41351826 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 5.53942391 -0.00000000 1.16957043 1 Si Si3 1 1.14146537 -0.00000000 3.65746608 1 [/CIF]
RhRuSi2
C2/m
12
monoclinic
2/m
8,044.033044
false
[CIF] data_CaMgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31066513 _cell_length_b 4.31066513 _cell_length_c 4.42755464 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgP _chemical_formula_sum 'Ca1 Mg1 P1' _cell_volume 71.24971550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15533259 1.24438182 4.32707146 1 Mg Mg1 1 0.00000000 0.00000000 2.05743076 1 P P2 1 0.00000002 2.48876366 2.47060710 1 [/CIF]
CaMgP
P3m1
156
trigonal
3m
2,222.375588
false
[CIF] data_VAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61704161 _cell_length_b 5.61704161 _cell_length_c 5.61704161 _cell_angle_alpha 149.09922723 _cell_angle_beta 149.09922723 _cell_angle_gamma 44.26526918 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAgRu _chemical_formula_sum 'V1 Ag1 Ru1' _cell_volume 46.60389543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03790523 1 Ru Ru1 1 -0.00000000 0.00000000 3.21255982 1 V V2 1 -0.00000000 -0.00000000 7.15582565 1 [/CIF]
AgRuV
I4mm
107
tetragonal
4mm
9,259.749436
false
[CIF] data_CuTeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38967047 _cell_length_b 4.38967047 _cell_length_c 4.38967047 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTeRu2 _chemical_formula_sum 'Cu1 Te1 Ru2' _cell_volume 59.81095837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.55198288 1.55198288 1.55198288 1 Ru Ru2 1 4.65594864 4.65594864 4.65594864 1 Te Te3 1 3.10396576 3.10396576 3.10396576 1 [/CIF]
CuRu2Te
Fm-3m
225
cubic
m-3m
10,918.848069
false
[CIF] data_LaSi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93620103 _cell_length_b 3.93620103 _cell_length_c 6.20269899 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.89175351 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSi2Te _chemical_formula_sum 'La1 Si2 Te1' _cell_volume 96.05024638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10134949 1 Si Si1 1 2.73698846 0.00000000 4.99587992 1 Si Si2 1 2.73698846 0.00000000 1.20681907 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaSi2Te
Cmmm
65
orthorhombic
mmm
5,578.506089
false
[CIF] data_TaB2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96633537 _cell_length_b 3.96633537 _cell_length_c 3.02365099 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaB2As _chemical_formula_sum 'Ta1 B2 As1' _cell_volume 47.56752183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 0.00000000 1.98316769 1.51182550 1 B B2 1 1.98316769 0.00000000 1.51182550 1 Ta Ta3 1 1.98316769 1.98316769 0.00000000 1 [/CIF]
AsB2Ta
P4/mmm
123
tetragonal
4/mmm
9,686.976017
false
[CIF] data_Ag2BRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60849188 _cell_length_b 3.60849188 _cell_length_c 4.41454275 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2BRu _chemical_formula_sum 'Ag2 B1 Ru1' _cell_volume 57.48270431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80424594 0.00000000 2.20727137 1 Ag Ag1 1 0.00000000 1.80424594 2.20727137 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.80424594 1.80424594 0.00000000 1 [/CIF]
Ag2BRu
P4/mmm
123
tetragonal
4/mmm
9,464.09008
false
[CIF] data_ReSbTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13632564 _cell_length_b 3.13632564 _cell_length_c 11.05360225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.57374480 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSbTe2 _chemical_formula_sum 'Re1 Sb1 Te2' _cell_volume 98.88123098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69497423 0.00000000 5.53442623 1 Sb Sb1 1 0.00000000 0.00000000 3.36887069 1 Te Te2 1 1.69497423 0.00000000 11.05092341 1 Te Te3 1 0.00000000 0.00000000 7.67978529 1 [/CIF]
ReSbTe2
Cmm2
35
orthorhombic
mm2
9,457.414671
false
[CIF] data_CuAg2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70929290 _cell_length_b 4.54324262 _cell_length_c 5.16048975 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.68236409 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAg2Rh _chemical_formula_sum 'Cu1 Ag2 Rh1' _cell_volume 62.79242136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.04869645 2.27162131 3.85848420 1 Ag Ag1 1 1.97897962 2.27162131 1.24286840 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 0.96514158 0.00000000 2.55067630 1 [/CIF]
Ag2CuRh
P2/m
10
monoclinic
2/m
10,106.919354
false
[CIF] data_TaNb2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15035135 _cell_length_b 5.15035135 _cell_length_c 2.82289472 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.11308856 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2Pt _chemical_formula_sum 'Ta1 Nb2 Pt1' _cell_volume 69.85381269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.45650042 2.12370815 1.41144736 1 Nb Nb1 1 1.45650042 -2.12370815 1.41144736 1 Pt Pt2 1 2.91300084 -0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2PtTa
Cmmm
65
orthorhombic
mmm
13,355.963522
false
[CIF] data_BeNbGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65197387 _cell_length_b 3.70227659 _cell_length_c 4.49200946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbGe2 _chemical_formula_sum 'Be1 Nb1 Ge2' _cell_volume 60.73474111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.82598693 0.00000000 2.24600473 1 Ge Ge2 1 1.82598693 1.85113829 0.00000000 1 Nb Nb3 1 0.00000000 1.85113829 2.24600473 1 [/CIF]
BeGe2Nb
Pmmm
47
orthorhombic
mmm
6,758.617257
false
[CIF] data_K2NiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45642241 _cell_length_b 3.45642241 _cell_length_c 9.90533249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NiPt _chemical_formula_sum 'K2 Ni1 Pt1' _cell_volume 118.33757933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 8.89237535 1 K K1 1 1.72821120 1.72821120 3.42257864 1 Ni Ni2 1 0.00000000 0.00000000 5.94862890 1 Pt Pt3 1 1.72821120 1.72821120 6.49974843 1 [/CIF]
K2NiPt
P4mm
99
tetragonal
4mm
4,658.338417
false
[CIF] data_InNiIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41393296 _cell_length_b 4.41393296 _cell_length_c 4.41393296 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNiIrRh _chemical_formula_sum 'In1 Ni1 Ir1 Rh1' _cell_volume 60.80820746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 4.68168290 4.68168290 4.68168290 1 Ir Ir1 1 3.12112193 3.12112193 3.12112193 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.56056097 1.56056097 1.56056097 1 [/CIF]
InIrNiRh
F-43m
216
cubic
-43m
12,797.366201
false
[CIF] data_Mn2NbAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19320596 _cell_length_b 4.19320596 _cell_length_c 3.41989452 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NbAg _chemical_formula_sum 'Mn2 Nb1 Ag1' _cell_volume 60.13192403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09660298 2.09660298 0.00000000 1 Mn Mn1 1 2.09660298 0.00000000 1.70994726 1 Mn Mn2 1 0.00000000 2.09660298 1.70994726 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgMn2Nb
P4/mmm
123
tetragonal
4/mmm
8,578.597507
false
[CIF] data_BaSrScTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40682387 _cell_length_b 5.40682387 _cell_length_c 5.40682387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrScTc _chemical_formula_sum 'Ba1 Sr1 Sc1 Tc1' _cell_volume 111.76650446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.82320182 3.82320182 3.82320182 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.73480273 5.73480273 5.73480273 1 Tc Tc3 1 1.91160091 1.91160091 1.91160091 1 [/CIF]
BaScSrTc
F-43m
216
cubic
-43m
5,479.476535
false
[CIF] data_ScReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62358769 _cell_length_b 4.62358769 _cell_length_c 4.62358769 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReBi _chemical_formula_sum 'Sc1 Re1 Bi1' _cell_volume 69.89116809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26937021 3.26937021 3.26937021 1 Re Re1 1 4.90405531 4.90405531 4.90405531 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiReSc
F-43m
216
cubic
-43m
10,457.332227
false
[CIF] data_TaHgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58471063 _cell_length_b 6.58471063 _cell_length_c 6.58471063 _cell_angle_alpha 153.44028516 _cell_angle_beta 153.44028516 _cell_angle_gamma 37.91365359 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaHgAu _chemical_formula_sum 'Ta1 Hg1 Au1' _cell_volume 56.99062262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 -0.00000000 0.11345629 1 Hg Hg1 1 0.00000000 -0.00000000 4.11388193 1 Ta Ta2 1 0.00000000 -0.00000000 8.22782140 1 [/CIF]
AuHgTa
I4mm
107
tetragonal
4mm
16,855.917581
false
[CIF] data_CaAuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90712821 _cell_length_b 3.90712821 _cell_length_c 7.51179096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.84797913 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAuBr2 _chemical_formula_sum 'Ca1 Au1 Br2' _cell_volume 114.41386322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66844353 0.00000000 1.90827171 1 Br Br1 1 0.00000000 0.00000000 0.72389447 1 Br Br2 1 2.66844353 0.00000000 5.08386226 1 Ca Ca3 1 0.00000000 0.00000000 3.55165807 1 [/CIF]
AuBr2Ca
Cmm2
35
orthorhombic
mm2
5,759.697085
false
[CIF] data_Be2GaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83485829 _cell_length_b 3.59404222 _cell_length_c 5.65119246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2GaHg _chemical_formula_sum 'Be2 Ga1 Hg1' _cell_volume 57.57774166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41742915 1.79702111 4.50966238 1 Be Be1 1 1.41742915 1.79702111 1.14153008 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 0.00000000 0.00000000 2.82559623 1 [/CIF]
Be2GaHg
Pmmm
47
orthorhombic
mmm
8,315.63454
false
[CIF] data_Sr2AgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31813406 _cell_length_b 5.31813406 _cell_length_c 3.83565580 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AgPt _chemical_formula_sum 'Sr2 Ag1 Pt1' _cell_volume 108.48212649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 2.65906703 2.65906703 0.00000000 1 Sr Sr2 1 2.65906703 0.00000000 1.91782790 1 Sr Sr3 1 0.00000000 2.65906703 1.91782790 1 [/CIF]
AgPtSr2
P4/mmm
123
tetragonal
4/mmm
7,319.701919
false
[CIF] data_TaTlIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60446016 _cell_length_b 4.60446016 _cell_length_c 4.60446016 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlIr2 _chemical_formula_sum 'Ta1 Tl1 Ir2' _cell_volume 69.02734347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88376750 4.88376750 4.88376750 1 Ir Ir1 1 1.62792250 1.62792250 1.62792250 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.25584500 3.25584500 3.25584500 1 [/CIF]
Ir2TaTl
Fm-3m
225
cubic
m-3m
18,517.664004
false
[CIF] data_TaBi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67723849 _cell_length_b 4.67723849 _cell_length_c 7.16821003 _cell_angle_alpha 97.62271343 _cell_angle_beta 97.62271343 _cell_angle_gamma 41.00474257 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBi2Os _chemical_formula_sum 'Ta1 Bi2 Os1' _cell_volume 101.85318360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.65238010 -0.00000000 6.53906872 1 Bi Bi1 1 6.43655642 -0.00000000 2.30154549 1 Os Os2 1 3.91624119 -0.00000000 4.06474592 1 Ta Ta3 1 1.36177735 -0.00000000 4.83454608 1 [/CIF]
Bi2OsTa
Cm
8
monoclinic
m
12,865.534103
false
[CIF] data_CrCu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65076348 _cell_length_b 5.65076348 _cell_length_c 5.65076348 _cell_angle_alpha 142.01284888 _cell_angle_beta 142.01284888 _cell_angle_gamma 54.80944548 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCu2Br _chemical_formula_sum 'Cr1 Cu2 Br1' _cell_volume 67.87134017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 -0.00000000 5.01662039 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 1.83910954 -0.00000000 2.50831020 1 Cu Cu3 1 -0.00000000 1.83910954 2.50831020 1 [/CIF]
BrCrCu2
I4/mmm
139
tetragonal
4/mmm
6,336.496361
false
[CIF] data_Fe2MoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24619052 _cell_length_b 4.24619052 _cell_length_c 4.24619052 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2MoRh _chemical_formula_sum 'Fe2 Mo1 Rh1' _cell_volume 54.13565938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 4.50376516 4.50376516 4.50376517 1 Fe Fe1 1 1.50125505 1.50125505 1.50125506 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 3.00251011 3.00251011 3.00251011 1 [/CIF]
Fe2MoRh
Fm-3m
225
cubic
m-3m
9,525.875291
false
[CIF] data_YSc2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54584369 _cell_length_b 4.86218285 _cell_length_c 6.27477151 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.17974620 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSc2Sb _chemical_formula_sum 'Y1 Sc2 Sb1' _cell_volume 103.89566697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.89868419 0.00000000 3.01312096 1 Sc Sc1 1 -0.05885615 2.43109142 4.40691496 1 Sc Sc2 1 1.85622454 2.43109142 1.61932695 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbSc2Y
P2/m
10
monoclinic
2/m
4,804.059541
false
[CIF] data_K2BeGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49822886 _cell_length_b 4.49822886 _cell_length_c 5.39612924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BeGe _chemical_formula_sum 'K2 Be1 Ge1' _cell_volume 109.18561833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 2.24911443 2.24911443 0.00000000 1 K K2 1 2.24911443 0.00000000 2.69806462 1 K K3 1 0.00000000 2.24911443 2.69806462 1 [/CIF]
BeGeK2
P4/mmm
123
tetragonal
4/mmm
2,431.044961
false