Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
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_MgTlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17640566 _cell_length_b 7.17640566 _cell_length_c 7.17640566 _cell_angle_alpha 156.51564907 _cell_angle_beta 156.51564907 _cell_angle_gamma 33.45304144 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlRe _chemical_formula_sum 'Mg1 Tl1 Re1' _cell_volume 58.63659944 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.51522387 1 Re Re1 1 -0.00000000 0.00000000 4.69847073 1 Tl Tl2 1 0.00000000 0.00000000 9.27737550 1 [/CIF]
MgReTl
I4mm
107
tetragonal
4mm
11,749.485147
false
[CIF] data_TcHgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45477059 _cell_length_b 4.45477059 _cell_length_c 4.45477059 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcHgSe _chemical_formula_sum 'Tc1 Hg1 Se1' _cell_volume 62.51166010 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14999849 3.14999849 3.14999849 1 Se Se1 1 -0.00000000 -0.00000000 0.00000000 1 Tc Tc2 1 4.72499774 4.72499774 4.72499774 1 [/CIF]
HgSeTc
F-43m
216
cubic
-43m
10,053.185343
false
[CIF] data_Y2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58012645 _cell_length_b 3.58012645 _cell_length_c 8.05968156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2AsPb _chemical_formula_sum 'Y2 As1 Pb1' _cell_volume 103.30339997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 0.00000000 4.02984078 1 Y Y2 1 1.79006322 1.79006322 6.35054259 1 Y Y3 1 1.79006322 1.79006322 1.70913897 1 [/CIF]
AsPbY2
P4/mmm
123
tetragonal
4/mmm
7,393.146914
false
[CIF] data_LaZr2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26504000 _cell_length_b 3.26504000 _cell_length_c 8.98488294 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.74106831 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZr2Si _chemical_formula_sum 'La1 Zr2 Si1' _cell_volume 94.40226074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.49244147 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 2.10437354 0.00000000 1.70762399 1 Zr Zr3 1 2.10437354 0.00000000 7.27725895 1 [/CIF]
LaSiZr2
Cmmm
65
orthorhombic
mmm
6,146.643698
false
[CIF] data_Sr3CaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39166151 _cell_length_b 6.39166151 _cell_length_c 6.39166151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3CaTe _chemical_formula_sum 'Sr3 Ca1 Te1' _cell_volume 261.12070075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19583076 0.00000000 3.19583076 1 Sr Sr1 1 3.19583076 3.19583076 0.00000000 1 Sr Sr2 1 0.00000000 3.19583076 3.19583076 1 Ca Ca3 1 0.00000000 0.00000000 0.00000000 1 Te Te4 1 3.19583076 3.19583076 3.19583076 1 [/CIF]
CaSr3Te
Pm-3m
221
cubic
m-3m
2,737.910731
false
[CIF] data_BaIn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80385710 _cell_length_b 6.80385710 _cell_length_c 6.80385710 _cell_angle_alpha 39.56291874 _cell_angle_beta 39.56291874 _cell_angle_gamma 39.56291874 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaIn2Rh _chemical_formula_sum 'Ba1 In2 Rh1' _cell_volume 115.03159521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.39422331 1 In In1 1 0.00000000 -0.00000000 5.50304508 1 In In2 1 0.00000000 0.00000000 13.28540154 1 Rh Rh3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
BaIn2Rh
R-3m
166
trigonal
-3m
6,782.788667
false
[CIF] data_BaBeSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31492593 _cell_length_b 6.31492593 _cell_length_c 6.31492593 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeSn4 _chemical_formula_sum 'Ba1 Be1 Sn4' _cell_volume 178.06960101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 6.69799043 6.69799043 6.69799042 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.58570368 5.58570368 3.34495022 1 Sn Sn3 1 5.58570368 3.34495022 5.58570368 1 Sn Sn4 1 3.34495022 5.58570368 5.58570368 1 Sn Sn5 1 3.34495022 3.34495022 3.34495022 1 [/CIF]
BaBeSn4
F-43m
216
cubic
-43m
5,792.635538
false
[CIF] data_ThBe13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31089025 _cell_length_b 7.31089025 _cell_length_c 7.31089025 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThBe13 _chemical_formula_sum 'Th2 Be26' _cell_volume 276.30948608 _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 Be Be0 1 5.16958007 5.16958007 5.16958007 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Be Be2 1 6.97935690 5.16958007 6.33631283 1 Be Be3 1 5.16958007 1.80977683 6.33631283 1 Be Be4 1 5.16958007 8.52938332 6.33631283 1 Be Be5 1 6.33631283 5.16958007 8.52938332 1 Be Be6 1 4.00284731 5.16958007 1.80977683 1 Be Be7 1 1.80977683 6.33631283 5.16958007 1 Be Be8 1 1.80977683 4.00284731 5.16958007 1 Be Be9 1 6.33631283 6.97935690 5.16958007 1 Be Be10 1 5.16958007 6.33631283 6.97935690 1 Be Be11 1 5.16958007 6.33631283 3.35980324 1 Be Be12 1 4.00284731 3.35980324 5.16958007 1 Be Be13 1 4.00284731 6.97935690 5.16958007 1 Be Be14 1 5.16958007 4.00284731 3.35980324 1 Be Be15 1 6.33631283 3.35980324 5.16958007 1 Be Be16 1 5.16958007 4.00284731 6.97935690 1 Be Be17 1 6.33631283 5.16958007 1.80977683 1 Be Be18 1 5.16958007 1.80977683 4.00284731 1 Be Be19 1 8.52938332 6.33631283 5.16958007 1 Be Be20 1 8.52938332 4.00284731 5.16958007 1 Be Be21 1 5.16958007 8.52938332 4.00284731 1 Be Be22 1 4.00284731 5.16958007 8.52938332 1 Be Be23 1 3.35980324 5.16958007 6.33631283 1 Be Be24 1 3.35980324 5.16958007 4.00284731 1 Be Be25 1 6.97935690 5.16958007 4.00284731 1 Th Th26 1 7.75437011 7.75437011 7.75437011 1 Th Th27 1 2.58479004 2.58479004 2.58479004 1 [/CIF]
Be26Th2
Fm-3c
226
cubic
m-3m
4,197.136447
false
[CIF] data_TlAu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93566961 _cell_length_b 3.93566961 _cell_length_c 5.69984362 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAu2Se _chemical_formula_sum 'Tl1 Au2 Se1' _cell_volume 88.28770062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96783480 1.96783480 4.28520593 1 Au Au1 1 1.96783480 1.96783480 1.41463769 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 2.84992181 1 [/CIF]
Au2SeTl
P4/mmm
123
tetragonal
4/mmm
12,738.527438
false
[CIF] data_Mg2SbPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05567586 _cell_length_b 5.05567586 _cell_length_c 5.74481666 _cell_angle_alpha 105.16311161 _cell_angle_beta 105.16311161 _cell_angle_gamma 47.56944398 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2SbPb _chemical_formula_sum 'Mg2 Sb1 Pb1' _cell_volume 103.85746955 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.12993330 -0.00000000 4.20256089 1 Mg Mg1 1 6.48050362 0.00000000 1.30255747 1 Pb Pb2 1 3.80521846 0.00000000 2.75255918 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2PbSb
C2/m
12
monoclinic
2/m
6,036.828531
false
[CIF] data_VGaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33813336 _cell_length_b 6.33813336 _cell_length_c 6.33813336 _cell_angle_alpha 154.54593537 _cell_angle_beta 154.54593537 _cell_angle_gamma 36.30657984 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGaAu _chemical_formula_sum 'V1 Ga1 Au1' _cell_volume 46.97054184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.98017884 1 Ga Ga1 1 -0.00000000 -0.00000000 8.14585844 1 V V2 1 -0.00000000 0.00000000 3.96460828 1 [/CIF]
AuGaV
I4mm
107
tetragonal
4mm
11,229.140187
false
[CIF] data_SrTa2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83367901 _cell_length_b 4.83367901 _cell_length_c 4.83367901 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTa2Re _chemical_formula_sum 'Sr1 Ta2 Re1' _cell_volume 79.85799858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70896360 1.70896360 1.70896360 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.12689080 5.12689080 5.12689080 1 Ta Ta3 1 3.41792720 3.41792720 3.41792720 1 [/CIF]
ReSrTa2
F-43m
216
cubic
-43m
13,219.271892
false
[CIF] data_AlCoRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45983021 _cell_length_b 4.45983021 _cell_length_c 2.70430201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCoRe2 _chemical_formula_sum 'Al1 Co1 Re2' _cell_volume 53.78879820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 2.22991510 2.22991510 0.00000000 1 Re Re2 1 2.22991510 0.00000000 1.35215101 1 Re Re3 1 0.00000000 2.22991510 1.35215101 1 [/CIF]
AlCoRe2
P4/mmm
123
tetragonal
4/mmm
14,149.280016
false
[CIF] data_KTlV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92351154 _cell_length_b 6.92351154 _cell_length_c 6.92351154 _cell_angle_alpha 147.76436668 _cell_angle_beta 147.76436668 _cell_angle_gamma 46.23333018 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTlV _chemical_formula_sum 'K1 Tl1 V1' _cell_volume 94.09569755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.71479515 1 Tl Tl1 1 0.00000000 -0.00000000 3.54865956 1 V V2 1 0.00000000 -0.00000000 9.20696288 1 [/CIF]
KTlV
I4mm
107
tetragonal
4mm
5,195.785486
false
[CIF] data_Ti2ZnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25946005 _cell_length_b 4.25946005 _cell_length_c 3.21765079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2ZnCr _chemical_formula_sum 'Ti2 Zn1 Cr1' _cell_volume 58.37783802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 0.00000000 2.12973003 1.60882540 1 Ti Ti2 1 2.12973003 0.00000000 1.60882540 1 Zn Zn3 1 2.12973003 2.12973003 0.00000000 1 [/CIF]
CrTi2Zn
P4/mmm
123
tetragonal
4/mmm
6,061.849129
false
[CIF] data_Hf2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59539505 _cell_length_b 5.59539505 _cell_length_c 5.59539505 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Cu _chemical_formula_sum 'Hf4 Cu2' _cell_volume 123.87317353 _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 1.97827089 1.97827089 1.97827089 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 4.94567722 2.96740633 2.96740634 1 Hf Hf3 1 2.96740633 4.94567722 2.96740633 1 Hf Hf4 1 2.96740633 2.96740633 4.94567722 1 Hf Hf5 1 4.94567722 4.94567722 4.94567722 1 [/CIF]
Cu2Hf4
Fd-3m
227
cubic
m-3m
11,274.432254
false
[CIF] data_AlBIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51854368 _cell_length_b 5.51854368 _cell_length_c 5.51854368 _cell_angle_alpha 150.56105561 _cell_angle_beta 141.76651792 _cell_angle_gamma 48.97598379 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBIr2 _chemical_formula_sum 'Al1 B1 Ir2' _cell_volume 50.90764594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 1.80728987 4.53031106 1 B B1 1 0.00000000 0.00000000 7.21435400 1 Ir Ir2 1 -0.00000000 1.80728987 0.53162441 1 Ir Ir3 1 0.00000000 -0.00000000 2.79013214 1 [/CIF]
AlBIr2
Imm2
44
orthorhombic
mm2
13,772.47127
false
[CIF] data_Ge2TeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08919554 _cell_length_b 3.08919554 _cell_length_c 9.40531758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.43983768 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2TeMo _chemical_formula_sum 'Ge2 Te1 Mo1' _cell_volume 82.95989993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.94656268 1 Ge Ge1 1 1.71761339 0.00000000 6.87462887 1 Mo Mo2 1 0.00000000 0.00000000 4.93440882 1 Te Te3 1 1.71761339 0.00000000 2.75769367 1 [/CIF]
Ge2MoTe
Cmm2
35
orthorhombic
mm2
7,382.762393
false
[CIF] data_SrIn3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16413889 _cell_length_b 5.16413889 _cell_length_c 5.16413889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIn3F _chemical_formula_sum 'Sr1 In3 F1' _cell_volume 137.71896254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.58206945 2.58206945 2.58206945 1 F F1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 0.00000000 2.58206945 0.00000000 1 In In3 1 0.00000000 0.00000000 2.58206945 1 In In4 1 2.58206945 0.00000000 0.00000000 1 [/CIF]
FIn3Sr
Pm-3m
221
cubic
m-3m
5,438.781513
false
[CIF] data_AlBiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97679174 _cell_length_b 5.97679174 _cell_length_c 5.97679174 _cell_angle_alpha 144.49280554 _cell_angle_beta 130.99538009 _cell_angle_gamma 61.96305713 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBiAs2 _chemical_formula_sum 'Al1 Bi1 As2' _cell_volume 92.59151059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 -0.00000000 2.47875441 3.24085683 1 As As2 1 1.82246780 -0.00000000 1.88324574 1 Bi Bi3 1 0.00000000 0.00000000 5.12410257 1 [/CIF]
AlAs2Bi
Immm
71
orthorhombic
mmm
6,919.041504
false
[CIF] data_NdInO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11282100 _cell_length_b 4.11282100 _cell_length_c 4.11282100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdInO3 _chemical_formula_sum 'Nd1 In1 O3' _cell_volume 69.56958699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nd Nd1 1 2.05641050 2.05641050 2.05641050 1 O O2 1 0.00000000 0.00000000 2.05641050 1 O O3 1 0.00000000 2.05641050 0.00000000 1 O O4 1 2.05641050 0.00000000 0.00000000 1 [/CIF]
InNdO3
Pm-3m
221
cubic
m-3m
7,329.095355
false
[CIF] data_HgOsF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57273067 _cell_length_b 4.57273067 _cell_length_c 4.57273067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgOsF3 _chemical_formula_sum 'Hg1 Os1 F3' _cell_volume 95.61518456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.28636534 2.28636534 2.28636534 1 F F2 1 2.28636534 0.00000000 2.28636534 1 F F3 1 2.28636534 2.28636534 0.00000000 1 F F4 1 0.00000000 2.28636534 2.28636534 1 [/CIF]
F3HgOs
Pm-3m
221
cubic
m-3m
7,777.160642
false
[CIF] data_SbWBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13524540 _cell_length_b 3.13524540 _cell_length_c 9.16519925 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbWBr2 _chemical_formula_sum 'Sb1 W1 Br2' _cell_volume 90.09174277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.56762270 1.56762270 6.18368890 1 Br Br1 1 1.56762270 1.56762270 2.98151035 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 4.58259963 1 [/CIF]
Br2SbW
P4/mmm
123
tetragonal
4/mmm
8,578.247767
false
[CIF] data_CdAsIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54314131 _cell_length_b 4.54314131 _cell_length_c 5.28964020 _cell_angle_alpha 99.12600011 _cell_angle_beta 99.12600011 _cell_angle_gamma 37.91093552 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAsIr2 _chemical_formula_sum 'Cd1 As1 Ir2' _cell_volume 66.13337657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 3.85323572 0.00000000 2.60736422 1 Ir Ir2 1 6.22638662 -0.00000000 1.14030071 1 Ir Ir3 1 1.48008481 0.00000000 4.07442774 1 [/CIF]
AsCdIr2
C2/m
12
monoclinic
2/m
14,356.453965
false
[CIF] data_CrN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93378604 _cell_length_b 2.93378604 _cell_length_c 2.93378604 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN _chemical_formula_sum 'Cr1 N1' _cell_volume 17.85542999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N N0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 2.07450000 2.07450000 2.07450000 1 [/CIF]
Cr4N4
Fm-3m
225
cubic
m-3m
6,138.201543
false
[CIF] data_Rb3IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32749433 _cell_length_b 6.32749433 _cell_length_c 6.32749433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3IrRu _chemical_formula_sum 'Rb3 Ru1 Ir1' _cell_volume 253.33505789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 3.16374717 3.16374717 3.16374717 1 Rb Rb2 1 3.16374717 0.00000000 3.16374717 1 Rb Rb3 1 3.16374717 3.16374717 0.00000000 1 Rb Rb4 1 0.00000000 3.16374717 3.16374717 1 [/CIF]
IrRb3Ru
Pm-3m
221
cubic
m-3m
3,603.063829
false
[CIF] data_KAlRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53274168 _cell_length_b 5.53274168 _cell_length_c 2.64885503 _cell_angle_alpha 101.14215734 _cell_angle_beta 101.14215734 _cell_angle_gamma 114.60814617 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlRu2 _chemical_formula_sum 'K1 Al1 Ru2' _cell_volume 68.84163862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.98867915 0.00000000 0.00000000 1 Ru Ru2 1 1.02053946 -2.32803713 1.23677875 1 Ru Ru3 1 1.02053946 2.32803713 1.23677875 1 [/CIF]
AlKRu2
C2/m
12
monoclinic
2/m
6,469.769305
false
[CIF] data_BeTe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35866161 _cell_length_b 3.35866161 _cell_length_c 8.47516116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTe2Pd _chemical_formula_sum 'Be1 Te2 Pd1' _cell_volume 95.60496918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 4.91663753 1 Pd Pd1 1 1.67933080 1.67933080 5.69995193 1 Te Te2 1 0.00000000 0.00000000 7.46536927 1 Te Te3 1 1.67933080 1.67933080 3.10594426 1 [/CIF]
BePdTe2
P4mm
99
tetragonal
4mm
6,437.418712
false
[CIF] data_BiBW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49242804 _cell_length_b 4.49242804 _cell_length_c 4.49242804 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiBW2 _chemical_formula_sum 'Bi1 B1 W2' _cell_volume 64.11038581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 3.17662633 3.17662633 3.17662633 1 W W2 1 4.76493950 4.76493950 4.76493950 1 W W3 1 1.58831317 1.58831317 1.58831317 1 [/CIF]
BBiW2
Fm-3m
225
cubic
m-3m
15,216.39043
false
[CIF] data_Zr3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.05803500 _cell_length_b 11.05803500 _cell_length_c 5.49588900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3As _chemical_formula_sum 'Zr24 As8' _cell_volume 672.03806569 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 9.89169982 6.44408095 0.19617576 1 Zr Zr1 1 1.16633518 4.61395405 0.19617576 1 Zr Zr2 1 10.14297155 4.36268232 2.94412026 1 Zr Zr3 1 0.91506345 6.69535268 2.94412026 1 Zr Zr4 1 6.69535268 10.14297155 2.55176874 1 Zr Zr5 1 4.36268232 0.91506345 2.55176874 1 Zr Zr6 1 6.44408095 1.16633518 5.29971324 1 Zr Zr7 1 4.61395405 9.89169982 5.29971324 1 Zr Zr8 1 9.51707571 0.29069362 3.94006328 1 Zr Zr9 1 1.54095929 10.76734138 3.94006328 1 Zr Zr10 1 5.23832388 3.98805821 1.19211878 1 Zr Zr11 1 5.81971112 7.06997679 1.19211878 1 Zr Zr12 1 7.06997679 5.23832388 4.30377022 1 Zr Zr13 1 3.98805821 5.81971112 4.30377022 1 Zr Zr14 1 0.29069362 1.54095929 1.55582572 1 Zr Zr15 1 10.76734138 9.51707571 1.55582572 1 Zr Zr16 1 3.14894134 1.99287907 5.43456587 1 Zr Zr17 1 7.90909366 9.06515593 5.43456587 1 Zr Zr18 1 3.53613843 8.67795884 2.68662137 1 Zr Zr19 1 7.52189657 2.38007616 2.68662137 1 Zr Zr20 1 2.38007616 3.53613843 2.80926763 1 Zr Zr21 1 8.67795884 7.52189657 2.80926763 1 Zr Zr22 1 1.99287907 7.90909366 0.06132313 1 Zr Zr23 1 9.06515593 3.14894134 0.06132313 1 As As24 1 8.77745904 0.45053752 1.16563409 1 As As25 1 2.28057596 10.60749748 1.16563409 1 As As26 1 5.07847998 3.24844154 3.91357859 1 As As27 1 5.97955502 7.80959346 3.91357859 1 As As28 1 7.80959346 5.07847998 1.58231041 1 As As29 1 3.24844154 5.97955502 1.58231041 1 As As30 1 0.45053752 2.28057596 4.33025491 1 As As31 1 10.60749748 8.77745904 4.33025491 1 [/CIF]
As8Zr24
P4_2/n
86
tetragonal
4/m
6,890.720282
false
[CIF] data_CrRe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12967478 _cell_length_b 5.12967478 _cell_length_c 2.61618325 _cell_angle_alpha 99.68361972 _cell_angle_beta 99.68361972 _cell_angle_gamma 117.33185197 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRe2Pd _chemical_formula_sum 'Cr1 Re2 Pd1' _cell_volume 57.86822106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.66757026 -0.00000000 0.00000000 1 Re Re2 1 0.91067086 -2.19075513 1.23777139 1 Re Re3 1 0.91067086 2.19075514 1.23777139 1 [/CIF]
CrPdRe2
C2/m
12
monoclinic
2/m
15,232.2657
false
[CIF] data_Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07693113 _cell_length_b 3.07693113 _cell_length_c 3.07693113 _cell_angle_alpha 64.56809738 _cell_angle_beta 64.56809738 _cell_angle_gamma 64.56809738 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd _chemical_formula_sum Cd1 _cell_volume 22.66111926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Cd3
R-3m
166
trigonal
-3m
8,237.141983
false
[CIF] data_Ca2MnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10543968 _cell_length_b 6.10543968 _cell_length_c 5.41952788 _cell_angle_alpha 108.03255841 _cell_angle_beta 108.03255841 _cell_angle_gamma 32.06126168 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MnCr _chemical_formula_sum 'Ca2 Mn1 Cr1' _cell_volume 101.52315482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.80253981 -0.00000000 4.86759687 1 Ca Ca1 1 8.53881221 0.00000000 1.54921168 1 Cr Cr2 1 5.40167640 0.00000000 2.52484731 1 Mn Mn3 1 1.23326736 -0.00000000 3.88517225 1 [/CIF]
Ca2CrMn
Cm
8
monoclinic
m
3,060.094964
false
[CIF] data_VZnP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53637321 _cell_length_b 4.53637321 _cell_length_c 4.53637321 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnP3 _chemical_formula_sum 'V1 Zn1 P3' _cell_volume 93.35258127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26818660 0.00000000 2.26818660 1 P P1 1 2.26818660 2.26818660 0.00000000 1 P P2 1 0.00000000 2.26818660 2.26818660 1 Zn Zn3 1 2.26818660 2.26818660 2.26818660 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P3VZn
Pm-3m
221
cubic
m-3m
3,721.97336
false
[CIF] data_NbSnBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91750900 _cell_length_b 4.91750900 _cell_length_c 4.91750900 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSnBiMo _chemical_formula_sum 'Nb1 Sn1 Bi1 Mo1' _cell_volume 84.08538022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47720396 3.47720396 3.47720396 1 Mo Mo1 1 1.73860198 1.73860198 1.73860198 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 5.21580594 5.21580594 5.21580594 1 [/CIF]
BiMoNbSn
F-43m
216
cubic
-43m
10,201.092165
false
[CIF] data_LaPCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.86651732 _cell_length_b 10.86651732 _cell_length_c 10.86651732 _cell_angle_alpha 19.45360355 _cell_angle_beta 19.45360355 _cell_angle_gamma 19.45360355 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPCl2 _chemical_formula_sum 'La1 P1 Cl2' _cell_volume 124.43847753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 24.72328915 1 Cl Cl1 1 -0.00000000 -0.00000000 7.24989196 1 La La2 1 -0.00000000 -0.00000000 15.98659055 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2LaP
R-3m
166
trigonal
-3m
3,213.100097
false
[CIF] data_NbSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87911815 _cell_length_b 2.87911815 _cell_length_c 7.20649027 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.12279341 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSi2Ir _chemical_formula_sum 'Nb1 Si2 Ir1' _cell_volume 58.61481514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 3.60324513 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.82896269 0.00000000 1.92090086 1 Si Si3 1 1.82896269 0.00000000 5.28558941 1 [/CIF]
IrNbSi2
Cmmm
65
orthorhombic
mmm
9,668.761214
false
[CIF] data_YTaCr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04624575 _cell_length_b 5.04624575 _cell_length_c 5.04624575 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaCr4 _chemical_formula_sum 'Y1 Ta1 Cr4' _cell_volume 90.86365290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67891428 4.45755490 2.67891428 1 Cr Cr1 1 4.45755490 2.67891428 2.67891428 1 Cr Cr2 1 4.45755490 4.45755490 4.45755490 1 Cr Cr3 1 2.67891428 2.67891428 4.45755490 1 Ta Ta4 1 1.78411729 1.78411729 1.78411730 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr4TaY
F-43m
216
cubic
-43m
8,732.522378
false
[CIF] data_TbCe2Pm _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82647078 _cell_length_b 5.82647078 _cell_length_c 5.82647078 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCe2Pm _chemical_formula_sum 'Tb1 Ce2 Pm1' _cell_volume 139.86263977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 2.05996850 2.05996850 2.05996850 1 Ce Ce1 1 6.17990550 6.17990550 6.17990550 1 Pm Pm2 1 0.00000000 0.00000000 0.00000000 1 Tb Tb3 1 4.11993700 4.11993700 4.11993700 1 [/CIF]
Ce2PmTb
Fm-3m
225
cubic
m-3m
6,935.491152
false
[CIF] data_MnPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73100565 _cell_length_b 6.77285867 _cell_length_c 5.91256542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPb3 _chemical_formula_sum 'Mn2 Pb6' _cell_volume 229.49794913 _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 Mn Mn0 1 0.00000000 0.00000000 3.87309864 1 Mn Mn1 1 2.86550283 3.38642934 2.03946678 1 Pb Pb2 1 2.86550283 0.00000000 2.05893112 1 Pb Pb3 1 0.00000000 3.38642934 3.85363430 1 Pb Pb4 1 0.00000000 1.68623124 0.92900350 1 Pb Pb5 1 0.00000000 5.08662743 0.92900350 1 Pb Pb6 1 2.86550283 5.07266058 4.98356192 1 Pb Pb7 1 2.86550283 1.70019809 4.98356192 1 [/CIF]
Mn2Pb6
Pmmn
59
orthorhombic
mmm
9,790.22129
false
[CIF] data_BPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62171830 _cell_length_b 3.62171830 _cell_length_c 7.12268507 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPt2 _chemical_formula_sum 'B2 Pt4' _cell_volume 80.91028108 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.81085915 1.04550002 5.34201380 1 B B1 1 0.00000000 2.09100004 1.78067127 1 Pt Pt2 1 0.00000000 0.00000000 3.56134253 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 Pt Pt4 1 1.81085915 1.04550002 1.78067127 1 Pt Pt5 1 0.00000000 2.09100004 5.34201380 1 [/CIF]
B2Pt4
P6_3/mmc
194
hexagonal
6/mmm
16,458.756172
false
[CIF] data_AlCu2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41976412 _cell_length_b 4.41976412 _cell_length_c 4.42146466 _cell_angle_alpha 101.73379404 _cell_angle_beta 101.73379404 _cell_angle_gamma 35.16242351 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCu2Ni _chemical_formula_sum 'Al1 Cu2 Ni1' _cell_volume 48.59531801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.09872608 0.00000000 1.13157714 1 Cu Cu1 1 -0.92411745 0.00000000 4.28872401 1 Cu Cu2 1 1.38163938 0.00000000 3.25647243 1 Ni Ni3 1 3.72562771 -0.00000000 2.12243622 1 [/CIF]
AlCu2Ni
Cm
8
monoclinic
m
7,270.40851
false
[CIF] data_SbPt2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05827227 _cell_length_b 5.05827227 _cell_length_c 3.93164361 _cell_angle_alpha 105.88777868 _cell_angle_beta 105.88777868 _cell_angle_gamma 111.21999586 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbPt2Br _chemical_formula_sum 'Sb1 Pt2 Br1' _cell_volume 82.02449162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.47573492 2.08707367 1.71949610 1 Pt Pt2 1 0.47573492 -2.08707367 1.71949610 1 Sb Sb3 1 2.85702860 -0.00000000 0.00000000 1 [/CIF]
BrPt2Sb
C2/m
12
monoclinic
2/m
11,981.301408
false
[CIF] data_SrMnBeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55430033 _cell_length_b 4.55430033 _cell_length_c 4.55430033 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnBeW _chemical_formula_sum 'Sr1 Mn1 Be1 W1' _cell_volume 66.79593029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 3.22037665 3.22037665 3.22037665 1 Sr Sr2 1 1.61018833 1.61018833 1.61018832 1 W W3 1 4.83056497 4.83056497 4.83056497 1 [/CIF]
BeMnSrW
F-43m
216
cubic
-43m
8,338.259275
false
[CIF] data_RePb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22062319 _cell_length_b 5.22062319 _cell_length_c 3.19607193 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePb2Au _chemical_formula_sum 'Re1 Pb2 Au1' _cell_volume 87.10864159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.61031160 2.61031160 0.00000000 1 Pb Pb1 1 2.61031160 0.00000000 1.59803597 1 Pb Pb2 1 0.00000000 2.61031160 1.59803597 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuPb2Re
P4/mmm
123
tetragonal
4/mmm
15,204.026209
false
[CIF] data_TlP2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35150543 _cell_length_b 3.35150543 _cell_length_c 8.48079484 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlP2Se _chemical_formula_sum 'Tl1 P2 Se1' _cell_volume 95.26127984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64898243 1 P P1 1 1.67575272 1.67575272 1.02219351 1 Se Se2 1 0.00000000 0.00000000 3.95036899 1 Tl Tl3 1 1.67575272 1.67575272 6.09964733 1 [/CIF]
P2SeTl
P4mm
99
tetragonal
4mm
6,018.908244
false
[CIF] data_MgGa2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45928673 _cell_length_b 5.45928673 _cell_length_c 5.45928673 _cell_angle_alpha 135.36070624 _cell_angle_beta 130.23016699 _cell_angle_gamma 69.05914266 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGa2Sn _chemical_formula_sum 'Mg1 Ga2 Sn1' _cell_volume 85.68493422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06492673 1 Ga Ga1 1 2.07329185 -0.00000000 2.19501155 1 Mg Mg2 1 0.00000000 -0.00000000 4.44624448 1 Sn Sn3 1 0.00000000 2.29725155 2.28890652 1 [/CIF]
Ga2MgSn
Imm2
44
orthorhombic
mm2
5,473.978939
false
[CIF] data_BaHgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98124771 _cell_length_b 4.98124771 _cell_length_c 5.37811888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHgTe2 _chemical_formula_sum 'Ba1 Hg1 Te2' _cell_volume 133.44634276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Hg Hg1 1 2.49062385 2.49062385 0.00000000 1 Te Te2 1 2.49062385 0.00000000 2.68905944 1 Te Te3 1 0.00000000 2.49062385 2.68905944 1 [/CIF]
BaHgTe2
P4/mmm
123
tetragonal
4/mmm
7,380.664112
false
[CIF] data_CrCo2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10216219 _cell_length_b 4.10216219 _cell_length_c 4.10216219 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2Ir _chemical_formula_sum 'Cr1 Co2 Ir1' _cell_volume 48.81164942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.35100005 4.35100005 4.35100005 1 Co Co1 1 1.45033335 1.45033335 1.45033335 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 2.90066670 2.90066670 2.90066670 1 [/CIF]
Co2CrIr
Fm-3m
225
cubic
m-3m
12,317.69763
false
[CIF] data_Y4GaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28684433 _cell_length_b 6.28684433 _cell_length_c 6.28684433 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4GaTe _chemical_formula_sum 'Y4 Ga1 Te1' _cell_volume 175.70459660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 2.22273513 2.22273513 2.22273513 1 Y Y2 1 3.32594455 3.32594455 5.56499597 1 Y Y3 1 3.32594455 5.56499597 3.32594455 1 Y Y4 1 5.56499597 3.32594455 3.32594455 1 Y Y5 1 5.56499597 5.56499597 5.56499597 1 [/CIF]
GaTeY4
F-43m
216
cubic
-43m
5,225.754572
false
[CIF] data_NaYMnV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01703712 _cell_length_b 5.01703712 _cell_length_c 5.01703712 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYMnV _chemical_formula_sum 'Na1 Y1 Mn1 V1' _cell_volume 89.29495966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77379048 1.77379048 1.77379048 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 5.32137145 5.32137145 5.32137145 1 Y Y3 1 3.54758097 3.54758097 3.54758097 1 [/CIF]
MnNaVY
F-43m
216
cubic
-43m
4,049.771335
false
[CIF] data_Cd2SbP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38892845 _cell_length_b 3.38892845 _cell_length_c 8.28885160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.55212636 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2SbP _chemical_formula_sum 'Cd2 Sb1 P1' _cell_volume 92.14215837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07354143 0.00000000 6.50971509 1 Cd Cd1 1 2.07354143 0.00000000 1.77913651 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 4.14442580 1 [/CIF]
Cd2PSb
Cmmm
65
orthorhombic
mmm
6,804.117721
false
[CIF] data_Mg2VAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92003934 _cell_length_b 4.58007194 _cell_length_c 5.56068976 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.70685049 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2VAu _chemical_formula_sum 'Mg2 V1 Au1' _cell_volume 72.54719333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.34568910 2.29003597 4.01278184 1 Mg Mg1 1 -1.04065964 0.00000000 5.39866897 1 Mg Mg2 1 1.92904582 2.29003597 1.37386247 1 V V3 1 0.77949913 0.00000000 2.77593359 1 [/CIF]
AuMg2V
Pm
6
monoclinic
m
6,787.02807
false
[CIF] data_Ti2BeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01979337 _cell_length_b 5.01979337 _cell_length_c 4.16249605 _cell_angle_alpha 113.63029147 _cell_angle_beta 113.63029147 _cell_angle_gamma 36.98989499 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2BeTc _chemical_formula_sum 'Ti2 Be1 Tc1' _cell_volume 57.19426992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.76157550 -0.00000000 1.84094631 1 Tc Tc1 1 6.76388796 0.00000000 0.97464408 1 Ti Ti2 1 0.07929425 -0.00000000 0.04226969 1 Ti Ti3 1 1.03782855 -0.00000000 2.80076257 1 [/CIF]
BeTcTi2
Cm
8
monoclinic
m
5,912.703087
false
[CIF] data_Sc3FeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92920075 _cell_length_b 4.92920075 _cell_length_c 4.92920075 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3FeRu _chemical_formula_sum 'Sc3 Fe1 Ru1' _cell_volume 119.76488937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 2.46460038 0.00000000 2.46460038 1 Sc Sc1 1 2.46460038 2.46460038 0.00000000 1 Sc Sc2 1 0.00000000 2.46460038 2.46460038 1 Ru Ru3 1 2.46460038 2.46460038 2.46460038 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeRuSc3
Pm-3m
221
cubic
m-3m
4,045.564895
false
[CIF] data_SnC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84426204 _cell_length_b 5.84426204 _cell_length_c 3.13839419 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnC _chemical_formula_sum 'Sn3 C3' _cell_volume 92.83195218 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -1.10197313 1.90867345 0.00000000 1 C C1 1 1.82015789 3.15260595 0.00000000 1 C C2 1 2.20394626 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 Sn Sn4 1 2.92213102 1.68709313 1.56919710 1 Sn Sn5 1 0.00000000 3.37418626 1.56919710 1 [/CIF]
C3Sn3
P-62m
189
hexagonal
-6m2
7,014.834461
false
[CIF] data_MgGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98929830 _cell_length_b 4.98929830 _cell_length_c 4.98929830 _cell_angle_alpha 131.09375693 _cell_angle_beta 131.09375693 _cell_angle_gamma 71.66416125 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGeP2 _chemical_formula_sum 'Mg1 Ge1 P2' _cell_volume 69.01615529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.04500458 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 2.06531299 -0.00000000 2.02250229 1 P P3 1 0.00000000 2.06531299 2.02250229 1 [/CIF]
GeMgP2
I4/mmm
139
tetragonal
4/mmm
3,822.978003
false
[CIF] data_SrBiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26981779 _cell_length_b 4.26981779 _cell_length_c 6.41961556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.68305767 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBiSe2 _chemical_formula_sum 'Sr1 Bi1 Se2' _cell_volume 116.79649518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.92063461 0.00000000 0.80259395 1 Se Se1 1 0.00000000 0.00000000 0.77198451 1 Se Se2 1 2.92063461 0.00000000 4.12897520 1 Sr Sr3 1 0.00000000 0.00000000 3.92586961 1 [/CIF]
BiSe2Sr
Cmm2
35
orthorhombic
mm2
6,462.08501
false
[CIF] data_SbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95381600 _cell_length_b 4.95381600 _cell_length_c 7.88381526 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbW _chemical_formula_sum 'Sb4 W4' _cell_volume 167.55091875 _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 Sb Sb0 1 0.00000000 0.00000000 1.97095382 1 Sb Sb1 1 0.00000000 0.00000000 5.91286145 1 Sb Sb2 1 2.47690800 1.43004350 5.91286145 1 Sb Sb3 1 -0.00000000 2.86008700 1.97095382 1 W W4 1 2.47690800 1.43004350 0.71113906 1 W W5 1 -0.00000000 2.86008700 4.65304669 1 W W6 1 -0.00000000 2.86008700 7.17267620 1 W W7 1 2.47690800 1.43004350 3.23076857 1 [/CIF]
Sb4W4
P6_3/mmc
194
hexagonal
6/mmm
12,114.782601
false
[CIF] data_LaAlZn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70720679 _cell_length_b 5.70720679 _cell_length_c 5.70720679 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAlZn3 _chemical_formula_sum 'La1 Al1 Zn3' _cell_volume 185.89633433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85360340 0.00000000 2.85360340 1 Zn Zn1 1 2.85360340 2.85360340 0.00000000 1 Zn Zn2 1 0.00000000 2.85360340 2.85360340 1 Al Al3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 2.85360340 2.85360340 2.85360340 1 [/CIF]
AlLaZn3
Pm-3m
221
cubic
m-3m
3,233.845321
false
[CIF] data_ZnAsRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22807637 _cell_length_b 4.22807637 _cell_length_c 5.12871513 _cell_angle_alpha 100.18749062 _cell_angle_beta 100.18749062 _cell_angle_gamma 40.67022797 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAsRu2 _chemical_formula_sum 'Zn1 As1 Ru2' _cell_volume 58.67836963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48086247 0.00000000 2.51832490 1 Ru Ru1 1 5.72745401 0.00000000 1.36790327 1 Ru Ru2 1 1.23427093 0.00000000 3.66874654 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsRu2Zn
C2/m
12
monoclinic
2/m
9,690.754164
false
[CIF] data_CaHf2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13073449 _cell_length_b 4.48696121 _cell_length_c 6.90825116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf2Ta _chemical_formula_sum 'Ca1 Hf2 Ta1' _cell_volume 97.04354913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.11359569 1 Hf Hf1 1 1.56536725 2.24348060 0.29895782 1 Hf Hf2 1 0.00000000 0.00000000 1.81278714 1 Ta Ta3 1 1.56536725 2.24348060 3.13703609 1 [/CIF]
CaHf2Ta
Pmm2
25
orthorhombic
mm2
9,890.418818
false
[CIF] data_ScTiWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63526526 _cell_length_b 4.63526526 _cell_length_c 4.63526526 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTiWAu _chemical_formula_sum 'Sc1 Ti1 W1 Au1' _cell_volume 70.42206892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63881375 1.63881375 1.63881375 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 4.91644125 4.91644125 4.91644125 1 W W3 1 3.27762750 3.27762750 3.27762750 1 [/CIF]
AuScTiW
F-43m
216
cubic
-43m
11,168.093587
false
[CIF] data_Mn2ReCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89969346 _cell_length_b 2.89969346 _cell_length_c 7.34006598 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ReCl _chemical_formula_sum 'Mn2 Re1 Cl1' _cell_volume 61.71690544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.44984673 1.44984673 1.99581517 1 Mn Mn2 1 1.44984673 1.44984673 5.34425081 1 Re Re3 1 0.00000000 0.00000000 3.67003299 1 [/CIF]
ClMn2Re
P4/mmm
123
tetragonal
4/mmm
8,920.224134
false
[CIF] data_Zr2NbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92046675 _cell_length_b 4.92046675 _cell_length_c 4.92046675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2NbTe _chemical_formula_sum 'Zr2 Nb1 Te1' _cell_volume 84.23719695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 -0.00000000 0.00000000 0.00000000 1 Te Te1 1 3.47929541 3.47929541 3.47929541 1 Zr Zr2 1 5.21894311 5.21894311 5.21894311 1 Zr Zr3 1 1.73964770 1.73964770 1.73964770 1 [/CIF]
NbTeZr2
Fm-3m
225
cubic
m-3m
7,943.301941
false
[CIF] data_V2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03686792 _cell_length_b 5.03686792 _cell_length_c 6.12158582 _cell_angle_alpha 106.49038799 _cell_angle_beta 106.49038799 _cell_angle_gamma 35.49090555 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2W _chemical_formula_sum 'V4 W2' _cell_volume 86.06832983 _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 V V0 1 4.88354369 -0.00000000 4.88702492 1 V V1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 2.88643690 0.00000000 0.95636509 1 V V3 1 -0.91222340 -0.00000000 2.92169500 1 W W4 1 5.77343305 0.00000000 1.92063564 1 W W5 1 1.99654754 -0.00000000 3.92275437 1 [/CIF]
V4W2
C2/m
12
monoclinic
2/m
11,025.058919
false
[CIF] data_La2NiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59196638 _cell_length_b 3.59196638 _cell_length_c 9.00421471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.64161318 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NiBi _chemical_formula_sum 'La2 Ni1 Bi1' _cell_volume 115.93980904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45791916 0.00000000 2.72639247 1 La La1 1 0.00000000 0.00000000 0.28344998 1 La La2 1 2.45791916 0.00000000 6.03415261 1 Ni Ni3 1 0.00000000 0.00000000 4.46232700 1 [/CIF]
BiLa2Ni
Cmm2
35
orthorhombic
mm2
7,812.663558
false
[CIF] data_BP2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05488196 _cell_length_b 3.36884165 _cell_length_c 4.68515546 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BP2Os _chemical_formula_sum 'B1 P2 Os1' _cell_volume 48.21687254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 0.00000000 2.34257773 1 P P2 1 1.52744098 1.68442082 3.61565019 1 P P3 1 1.52744098 1.68442082 1.06950527 1 [/CIF]
BOsP2
Pmmm
47
orthorhombic
mmm
9,057.051924
false
[CIF] data_InMoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78325910 _cell_length_b 4.47439862 _cell_length_c 5.26553946 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.36792542 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InMoOs2 _chemical_formula_sum 'In1 Mo1 Os2' _cell_volume 64.69939456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.96308402 0.00000000 2.59765763 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.87286094 2.23719931 1.29387488 1 Os Os3 1 0.05330710 2.23719931 3.90144039 1 [/CIF]
InMoOs2
P2/m
10
monoclinic
2/m
15,174.389241
false
[CIF] data_KCuP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41459418 _cell_length_b 3.41459418 _cell_length_c 6.70671006 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuP2 _chemical_formula_sum 'K1 Cu1 P2' _cell_volume 78.19657351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35335503 1 K K1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.70729709 1.70729709 2.30803218 1 P P3 1 1.70729709 1.70729709 4.39867788 1 [/CIF]
CuKP2
P4/mmm
123
tetragonal
4/mmm
3,495.180691
false
[CIF] data_Ge2PdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06090699 _cell_length_b 6.06090699 _cell_length_c 6.06090699 _cell_angle_alpha 151.33232226 _cell_angle_beta 134.73091078 _cell_angle_gamma 54.46536307 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2PdCl _chemical_formula_sum 'Ge2 Pd1 Cl1' _cell_volume 75.44742394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.92136296 1 Ge Ge1 1 1.50050644 0.00000000 0.22989864 1 Ge Ge2 1 0.00000000 0.00000000 2.95311740 1 Pd Pd3 1 1.50050644 -0.00000000 5.06288734 1 [/CIF]
ClGe2Pd
Imm2
44
orthorhombic
mm2
6,320.013987
false
[CIF] data_ZrSc2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77451213 _cell_length_b 4.77451213 _cell_length_c 3.40852429 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc2Ir _chemical_formula_sum 'Zr1 Sc2 Ir1' _cell_volume 77.70060410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38725606 2.38725606 0.00000000 1 Sc Sc1 1 2.38725606 0.00000000 1.70426214 1 Sc Sc2 1 0.00000000 2.38725606 1.70426214 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrSc2Zr
P4/mmm
123
tetragonal
4/mmm
7,978.92059
false
[CIF] data_SnSbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02046399 _cell_length_b 4.51441916 _cell_length_c 6.10274753 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.59815690 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSbSe2 _chemical_formula_sum 'Sn1 Sb1 Se2' _cell_volume 108.09842349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.70872587 2.25720958 5.26573028 1 Se Se1 1 2.47594959 0.00000000 5.38240835 1 Se Se2 1 1.77591342 2.25720958 1.99800637 1 Sn Sn3 1 -0.24736472 0.00000000 2.24339608 1 [/CIF]
SbSe2Sn
Pm
6
monoclinic
m
6,119.813198
false
[CIF] data_TcSnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54304130 _cell_length_b 4.98365784 _cell_length_c 5.44618754 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcSnTe2 _chemical_formula_sum 'Tc1 Sn1 Te2' _cell_volume 96.16499749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77152065 0.00000000 2.72309377 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.49182892 2.72309377 1 Te Te3 1 1.77152065 2.49182892 0.00000000 1 [/CIF]
SnTcTe2
Pmmm
47
orthorhombic
mmm
8,164.402765
false
[CIF] data_Na2LiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20322230 _cell_length_b 5.20322230 _cell_length_c 5.67401549 _cell_angle_alpha 100.21036286 _cell_angle_beta 100.21036286 _cell_angle_gamma 32.84369937 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LiNi _chemical_formula_sum 'Na2 Li1 Ni1' _cell_volume 81.87828318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.47147349 0.00000000 1.65182452 1 Na Na1 1 0.03822963 0.00000000 0.09430871 1 Na Na2 1 1.55926063 0.00000000 3.97475417 1 Ni Ni3 1 4.33107616 0.00000000 2.64354080 1 [/CIF]
LiNa2Ni
Cm
8
monoclinic
m
2,263.595402
false
[CIF] data_Ge2MoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16584050 _cell_length_b 3.16584050 _cell_length_c 7.41780260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2MoSe _chemical_formula_sum 'Ge2 Mo1 Se1' _cell_volume 74.34526831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58292025 1.58292025 0.40596209 1 Ge Ge1 1 0.00000000 0.00000000 2.07352069 1 Mo Mo2 1 1.58292025 1.58292025 3.58012305 1 Se Se3 1 0.00000000 0.00000000 5.06709814 1 [/CIF]
Ge2MoSe
P4mm
99
tetragonal
4mm
7,151.98428
false
[CIF] data_BeSi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57668165 _cell_length_b 4.57668165 _cell_length_c 4.57668165 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSi2Sb _chemical_formula_sum 'Be1 Si2 Sb1' _cell_volume 67.78554859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.61810132 1.61810132 1.61810132 1 Si Si2 1 3.23620263 3.23620263 3.23620263 1 Si Si3 1 4.85430394 4.85430394 4.85430394 1 [/CIF]
BeSbSi2
F-43m
216
cubic
-43m
4,579.53743
false
[CIF] data_HgBiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26434847 _cell_length_b 3.26434847 _cell_length_c 8.04843502 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgBiMo2 _chemical_formula_sum 'Hg1 Bi1 Mo2' _cell_volume 85.76388937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63217423 1.63217423 3.65565013 1 Hg Hg1 1 0.00000000 0.00000000 6.45667993 1 Mo Mo2 1 1.63217423 1.63217423 0.34348322 1 Mo Mo3 1 0.00000000 0.00000000 1.61683925 1 [/CIF]
BiHgMo2
P4mm
99
tetragonal
4mm
11,645.915355
false
[CIF] data_SrZnNiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73269642 _cell_length_b 4.73269642 _cell_length_c 4.73269642 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnNiMo _chemical_formula_sum 'Sr1 Zn1 Ni1 Mo1' _cell_volume 74.95678378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 3.34652173 3.34652173 3.34652173 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.01978260 5.01978260 5.01978260 1 Zn Zn3 1 1.67326087 1.67326086 1.67326087 1 [/CIF]
MoNiSrZn
F-43m
216
cubic
-43m
6,815.53375
false
[CIF] data_ZrOsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99821954 _cell_length_b 3.99821954 _cell_length_c 4.37254316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrOsAu2 _chemical_formula_sum 'Zr1 Os1 Au2' _cell_volume 69.89842332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 1.99910977 2.18627158 1 Au Au1 1 1.99910977 0.00000000 2.18627158 1 Os Os2 1 1.99910977 1.99910977 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2OsZr
P4/mmm
123
tetragonal
4/mmm
16,044.920391
false
[CIF] data_MnMo2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92421126 _cell_length_b 3.87249239 _cell_length_c 4.91845671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnMo2P _chemical_formula_sum 'Mn1 Mo2 P1' _cell_volume 55.69653419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46210563 1.93624619 3.64408423 1 Mo Mo1 1 0.00000000 0.00000000 4.83888754 1 Mo Mo2 1 1.46210563 1.93624619 1.35317211 1 P P3 1 0.00000000 0.00000000 2.45999790 1 [/CIF]
MnMo2P
Pmm2
25
orthorhombic
mm2
8,283.290444
false
[CIF] data_NaZnCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82501154 _cell_length_b 4.82501154 _cell_length_c 4.82501154 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnCd _chemical_formula_sum 'Na1 Zn1 Cd1' _cell_volume 79.42917864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.70589919 1.70589919 1.70589919 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 3.41179838 3.41179838 3.41179838 1 [/CIF]
CdNaZn
F-43m
216
cubic
-43m
4,197.504203
false
[CIF] data_ZrNbP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32709569 _cell_length_b 6.32709569 _cell_length_c 6.32709569 _cell_angle_alpha 33.76048638 _cell_angle_beta 33.76048638 _cell_angle_gamma 33.76048638 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbP2 _chemical_formula_sum 'Zr1 Nb1 P2' _cell_volume 69.69754077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 8.94126725 1 P P1 1 -0.00000000 -0.00000000 4.40639014 1 P P2 1 0.00000000 -0.00000000 13.47614435 1 Zr Zr3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
NbP2Zr
R-3m
166
trigonal
-3m
5,871.137218
false
[CIF] data_K2CuPb(NO2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14631233 _cell_length_b 7.10142029 _cell_length_c 7.09646891 _cell_angle_alpha 60.44193041 _cell_angle_beta 59.81333735 _cell_angle_gamma 59.74473224 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CuPb(NO2)6 _chemical_formula_sum 'K2 Cu1 Pb1 N6 O12' _cell_volume 254.63334619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 7.47899016 7.57459014 7.58502399 1 K K2 1 2.49299672 2.52486338 2.52834133 1 N N3 1 1.94073782 5.04972676 5.05668266 1 N N4 1 4.98599344 2.02215899 5.05668266 1 N N5 1 4.98599344 8.07729453 5.05668266 1 N N6 1 8.03124906 5.04972676 5.05668266 1 N N7 1 4.98599344 5.04972676 2.02691931 1 N N8 1 4.98599344 5.04972676 8.08644601 1 O O9 1 2.58083551 3.96653527 5.05668266 1 O O10 1 2.58083551 6.13291825 5.05668266 1 O O11 1 7.39115137 3.96653527 5.05668266 1 O O12 1 7.39115137 6.13291825 5.05668266 1 O O13 1 4.98599344 2.66956088 6.13991495 1 O O14 1 4.98599344 7.42989264 6.13991495 1 O O15 1 3.90257177 5.04972676 7.43829858 1 O O16 1 6.06941511 5.04972676 7.43829858 1 O O17 1 3.90257177 5.04972676 2.67506674 1 O O18 1 6.06941511 5.04972676 2.67506674 1 O O19 1 4.98599344 2.66956088 3.97345037 1 O O20 1 4.98599344 7.42989264 3.97345037 1 Pb Pb21 1 4.98599344 5.04972676 5.05668266 1 [/CIF]
CuK2N6O12Pb
Fmmm
69
orthorhombic
mmm
4,075.650008
false
[CIF] data_La2SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19326282 _cell_length_b 4.19326282 _cell_length_c 7.84410777 _cell_angle_alpha 106.11221378 _cell_angle_beta 106.11221378 _cell_angle_gamma 61.13198999 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SiP _chemical_formula_sum 'La2 Si1 P1' _cell_volume 114.34123507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.07769402 -0.00000000 5.45590583 1 La La1 1 4.77066024 -0.00000000 1.96960593 1 P P2 1 2.34648311 -0.00000000 3.71275588 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2PSi
C2/m
12
monoclinic
2/m
4,892.251955
false
[CIF] data_TiAl2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94581853 _cell_length_b 2.94581853 _cell_length_c 8.96898775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAl2Tl _chemical_formula_sum 'Ti1 Al2 Tl1' _cell_volume 77.83150175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.28296152 1 Al Al1 1 1.47290926 1.47290926 2.34542994 1 Ti Ti2 1 0.00000000 0.00000000 4.21658815 1 Tl Tl3 1 1.47290926 1.47290926 6.60850202 1 [/CIF]
Al2TiTl
P4mm
99
tetragonal
4mm
6,533.078048
false
[CIF] data_Mg5CdN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81469284 _cell_length_b 7.53297998 _cell_length_c 5.25148285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5CdN4 _chemical_formula_sum 'Mg10 Cd2 N8' _cell_volume 269.58458187 _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 1.71357557 2.31519714 3.91143797 1 Mg Mg1 1 1.71357557 5.21778284 3.91143797 1 Mg Mg2 1 5.10111727 2.31519714 3.91143797 1 Mg Mg3 1 5.10111727 5.21778284 3.91143797 1 Mg Mg4 1 1.69377085 1.45129285 1.34004488 1 Mg Mg5 1 1.69377085 6.08168713 1.34004488 1 Mg Mg6 1 5.12092199 1.45129285 1.34004488 1 Mg Mg7 1 5.12092199 6.08168713 1.34004488 1 Mg Mg8 1 3.40734642 3.76648999 1.36077122 1 Mg Mg9 1 0.00000000 0.00000000 3.89071163 1 Cd Cd10 1 0.00000000 3.76648999 1.45119172 1 Cd Cd11 1 3.40734642 0.00000000 3.80029113 1 N N12 1 5.02786055 3.76648999 0.11661033 1 N N13 1 1.78683229 3.76648999 0.11661033 1 N N14 1 5.19417871 0.00000000 5.13487252 1 N N15 1 1.62051413 0.00000000 5.13487252 1 N N16 1 3.40734642 1.99787812 2.55029752 1 N N17 1 3.40734642 5.53510186 2.55029752 1 N N18 1 0.00000000 1.76861187 2.70118533 1 N N19 1 0.00000000 5.76436811 2.70118533 1 [/CIF]
Cd2Mg10N8
Pmmn
59
orthorhombic
mmm
3,572.122366
false
[CIF] data_SrPtSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25030903 _cell_length_b 3.77591387 _cell_length_c 6.49704680 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.95567875 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPtSe2 _chemical_formula_sum 'Sr1 Pt1 Se2' _cell_volume 102.36943942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.50777394 0.00000000 3.18931740 1 Se Se1 1 0.95595375 1.88795694 4.71356759 1 Se Se2 1 2.05959414 1.88795694 1.66506722 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtSe2Sr
P2/m
10
monoclinic
2/m
7,147.380799
false
[CIF] data_Y3BiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63902691 _cell_length_b 5.63902691 _cell_length_c 5.63902691 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3BiTe _chemical_formula_sum 'Y3 Bi1 Te1' _cell_volume 179.31329921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 2.81951346 0.00000000 1 Y Y1 1 0.00000000 0.00000000 2.81951346 1 Y Y2 1 2.81951346 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 Bi Bi4 1 2.81951346 2.81951346 2.81951346 1 [/CIF]
BiTeY3
Pm-3m
221
cubic
m-3m
5,586.868454
false
[CIF] data_SrFeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41455274 _cell_length_b 4.41455274 _cell_length_c 4.41455274 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFeOs _chemical_formula_sum 'Sr1 Fe1 Os1' _cell_volume 60.83382607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.68234027 4.68234027 4.68234027 1 Sr Sr2 1 1.56078009 1.56078009 1.56078009 1 [/CIF]
FeOsSr
F-43m
216
cubic
-43m
9,108.642668
false
[CIF] data_NaBRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96934293 _cell_length_b 3.96934293 _cell_length_c 3.96934293 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBRu _chemical_formula_sum 'Na1 B1 Ru1' _cell_volume 44.22225298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 4.21012395 4.21012395 4.21012395 1 Ru Ru2 1 2.80674930 2.80674930 2.80674930 1 [/CIF]
BNaRu
F-43m
216
cubic
-43m
5,064.377463
false
[CIF] data_Na2TiTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22145164 _cell_length_b 3.22145164 _cell_length_c 9.99974621 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TiTl _chemical_formula_sum 'Na2 Ti1 Tl1' _cell_volume 103.77487292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.71821716 1 Na Na1 1 1.61072582 1.61072582 2.70752598 1 Ti Ti2 1 0.00000000 0.00000000 5.25346667 1 Tl Tl3 1 1.61072582 1.61072582 7.32015572 1 [/CIF]
Na2TiTl
P4mm
99
tetragonal
4mm
4,772.082912
false
[CIF] data_LaMgHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06872434 _cell_length_b 5.06872434 _cell_length_c 5.06872434 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgHgMo _chemical_formula_sum 'La1 Mg1 Hg1 Mo1' _cell_volume 92.08333082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.37619403 5.37619403 5.37619403 1 La La1 1 1.79206468 1.79206468 1.79206468 1 Mg Mg2 1 0.00000000 -0.00000000 0.00000000 1 Mo Mo3 1 3.58412935 3.58412935 3.58412935 1 [/CIF]
HgLaMgMo
F-43m
216
cubic
-43m
8,290.862363
false
[CIF] data_Zn2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05063078 _cell_length_b 5.05063078 _cell_length_c 5.05063078 _cell_angle_alpha 146.95636782 _cell_angle_beta 146.95636782 _cell_angle_gamma 47.42839112 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2Co _chemical_formula_sum 'Zn2 Co1' _cell_volume 38.15789598 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 0.00000000 0.00000000 6.06323463 1 Zn Zn2 1 -0.00000000 0.00000000 3.18510649 1 [/CIF]
CoZn2
I4/mmm
139
tetragonal
4/mmm
8,254.987674
false
[CIF] data_TaCoNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15901410 _cell_length_b 3.15901410 _cell_length_c 5.11090602 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCoNi2 _chemical_formula_sum 'Ta1 Co1 Ni2' _cell_volume 51.00362264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.57950705 1.57950705 1.23242737 1 Ni Ni2 1 1.57950705 1.57950705 3.87847865 1 Ta Ta3 1 0.00000000 0.00000000 2.55545301 1 [/CIF]
CoNi2Ta
P4/mmm
123
tetragonal
4/mmm
11,631.669144
false
[CIF] data_FeSnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71527799 _cell_length_b 7.56980443 _cell_length_c 3.22986298 _cell_angle_alpha 80.33625318 _cell_angle_beta 75.28971392 _cell_angle_gamma 24.37403290 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSnBr _chemical_formula_sum 'Fe1 Sn1 Br1' _cell_volume 74.33922194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.02588740 2.51551091 13.87140823 1 Fe Fe1 1 2.02588740 2.51551091 5.03620920 1 Sn Sn2 1 2.02588740 2.51551091 10.26708925 1 [/CIF]
BrFeSn
Fmm2
42
orthorhombic
mm2
5,683.932375
false
[CIF] data_KW2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71724602 _cell_length_b 3.80198552 _cell_length_c 8.66373732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KW2Au _chemical_formula_sum 'K1 W2 Au1' _cell_volume 89.50446398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35862301 1.90099276 3.82875010 1 K K1 1 0.00000000 0.00000000 6.36855372 1 W W2 1 1.35862301 1.90099276 0.66582649 1 W W3 1 0.00000000 0.00000000 2.13247567 1 [/CIF]
AuKW2
Pmm2
25
orthorhombic
mm2
11,201.027263
false
[CIF] data_LaVPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38741293 _cell_length_b 3.38741293 _cell_length_c 6.90065386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVPt2 _chemical_formula_sum 'La1 V1 Pt2' _cell_volume 79.18201063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69370646 1.69370646 5.28656518 1 Pt Pt1 1 0.00000000 0.00000000 0.26752966 1 Pt Pt2 1 1.69370646 1.69370646 1.91206022 1 V V3 1 0.00000000 0.00000000 2.88482573 1 [/CIF]
LaPt2V
P4mm
99
tetragonal
4mm
12,163.590053
false
[CIF] data_Zn2TeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74377278 _cell_length_b 6.74377278 _cell_length_c 6.74377278 _cell_angle_alpha 148.72347587 _cell_angle_beta 147.90755032 _cell_angle_gamma 45.42329026 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2TeAu _chemical_formula_sum 'Zn2 Te1 Au1' _cell_volume 84.32075747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81787135 -0.00000000 5.83693009 1 Te Te1 1 -0.00000000 -0.00000000 2.56979559 1 Zn Zn2 1 1.81787135 -0.00000000 0.16454083 1 Zn Zn3 1 0.00000000 -0.00000000 10.09130807 1 [/CIF]
AuTeZn2
Imm2
44
orthorhombic
mm2
8,966.802227
false
[CIF] data_CuHgPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50157414 _cell_length_b 4.50157414 _cell_length_c 4.50157414 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuHgPdPt _chemical_formula_sum 'Cu1 Hg1 Pd1 Pt1' _cell_volume 64.50274899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 3.18309360 3.18309360 3.18309360 1 Pd Pd2 1 1.59154680 1.59154680 1.59154680 1 Pt Pt3 1 4.77464040 4.77464040 4.77464040 1 [/CIF]
CuHgPdPt
F-43m
216
cubic
-43m
14,561.663377
false