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_Te3MoC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28032102 _cell_length_b 5.28032102 _cell_length_c 5.28032102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te3MoC _chemical_formula_sum 'Te3 Mo1 C1' _cell_volume 147.22480220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64016051 2.64016051 2.64016051 1 Te Te1 1 2.64016051 0.00000000 2.64016051 1 Te Te2 1 2.64016051 2.64016051 0.00000000 1 Te Te3 1 0.00000000 2.64016051 2.64016051 1 C C4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CMoTe3
Pm-3m
221
cubic
m-3m
5,535.371132
false
[CIF] data_LiCoS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35236947 _cell_length_b 4.35236947 _cell_length_c 4.35236947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoS3 _chemical_formula_sum 'Li1 Co1 S3' _cell_volume 82.44745717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 0.00000000 2.17618474 0.00000000 1 S S1 1 0.00000000 0.00000000 2.17618474 1 S S2 1 2.17618474 0.00000000 0.00000000 1 Co Co3 1 2.17618474 2.17618474 2.17618474 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoLiS3
Pm-3m
221
cubic
m-3m
3,264.166525
false
[CIF] data_AcPa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03884391 _cell_length_b 4.03884391 _cell_length_c 4.03884391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcPa _chemical_formula_sum 'Ac1 Pa1' _cell_volume 65.88267248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 0.00000000 0.00000000 0.00000000 1 Pa Pa1 1 2.01942195 2.01942195 2.01942195 1 [/CIF]
AcPa
Pm-3m
221
cubic
m-3m
11,544.56011
false
[CIF] data_MgVMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85260053 _cell_length_b 9.85260053 _cell_length_c 9.85260053 _cell_angle_alpha 16.13224016 _cell_angle_beta 16.13224016 _cell_angle_gamma 16.13224016 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVMo2 _chemical_formula_sum 'Mg1 V1 Mo2' _cell_volume 64.36944614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.00000000 -0.00000000 -0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 7.20754872 1 Mo Mo2 1 0.00000000 0.00000000 21.95970645 1 V V3 1 -0.00000000 -0.00000000 14.58362759 1 [/CIF]
MgMo2V
R-3m
166
trigonal
-3m
6,892.09613
false
[CIF] data_Tl2FeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13558736 _cell_length_b 3.13558736 _cell_length_c 9.03615356 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2FeSb _chemical_formula_sum 'Tl2 Fe1 Sb1' _cell_volume 88.84263131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 4.51807678 1 Tl Tl2 1 1.56779368 1.56779368 7.27962326 1 Tl Tl3 1 1.56779368 1.56779368 1.75653030 1 [/CIF]
FeSbTl2
P4/mmm
123
tetragonal
4/mmm
10,959.749109
false
[CIF] data_MgHgP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38618968 _cell_length_b 4.38618968 _cell_length_c 3.86963339 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHgP2 _chemical_formula_sum 'Mg1 Hg1 P2' _cell_volume 74.44656076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 2.19309484 2.19309484 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 0.00000000 2.19309484 1.93481670 1 P P3 1 2.19309484 0.00000000 1.93481670 1 [/CIF]
HgMgP2
P4/mmm
123
tetragonal
4/mmm
6,398.055359
false
[CIF] data_Sc2TeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73268486 _cell_length_b 3.73268486 _cell_length_c 6.00814758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TeW _chemical_formula_sum 'Sc2 Te1 W1' _cell_volume 83.71113707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 5.84272393 1 Sc Sc1 1 1.86634243 1.86634243 1.55377822 1 Te Te2 1 0.00000000 0.00000000 2.92197864 1 W W3 1 1.86634243 1.86634243 4.70188816 1 [/CIF]
Sc2TeW
P4mm
99
tetragonal
4mm
7,961.437889
false
[CIF] data_BaNaGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89521642 _cell_length_b 3.89521642 _cell_length_c 7.54037693 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaGa2 _chemical_formula_sum 'Ba1 Na1 Ga2' _cell_volume 114.40795968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 3.77018846 1 Ga Ga1 1 1.94760821 1.94760821 6.13141731 1 Ga Ga2 1 1.94760821 1.94760821 1.40895962 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaGa2Na
P4/mmm
123
tetragonal
4/mmm
4,350.814318
false
[CIF] data_LaScTaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78390693 _cell_length_b 4.78390693 _cell_length_c 4.78390693 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScTaBe _chemical_formula_sum 'La1 Sc1 Ta1 Be1' _cell_volume 77.41643489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 3.38273303 3.38273303 3.38273303 1 Sc Sc2 1 1.69136651 1.69136651 1.69136651 1 Ta Ta3 1 5.07409954 5.07409955 5.07409955 1 [/CIF]
BeLaScTa
F-43m
216
cubic
-43m
8,018.26011
false
[CIF] data_V3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33367200 _cell_length_b 9.33367200 _cell_length_c 4.63627200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3S _chemical_formula_sum 'V24 S8' _cell_volume 403.90011535 _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 V V0 1 5.50640913 0.83957313 2.31813600 1 V V1 1 8.49409887 3.82726287 0.00000000 1 V V2 1 2.77908217 7.44591817 0.00000000 1 V V3 1 1.88775383 6.55458983 2.31813600 1 V V4 1 7.96306894 0.00000000 3.47720400 1 V V5 1 1.37060306 0.00000000 3.47720400 1 V V6 1 8.49409887 5.50640913 2.31813600 1 V V7 1 5.50640913 8.49409887 0.00000000 1 V V8 1 6.55458983 7.44591817 2.31813600 1 V V9 1 7.44591817 2.77908217 2.31813600 1 V V10 1 3.29623294 4.66683600 3.47720400 1 V V11 1 0.83957313 5.50640913 0.00000000 1 V V12 1 6.03743906 4.66683600 3.47720400 1 V V13 1 3.82726287 8.49409887 2.31813600 1 V V14 1 0.00000000 1.37060306 1.15906800 1 V V15 1 0.83957313 3.82726287 2.31813600 1 V V16 1 1.88775383 2.77908217 0.00000000 1 V V17 1 3.82726287 0.83957313 0.00000000 1 V V18 1 4.66683600 3.29623294 1.15906800 1 V V19 1 0.00000000 7.96306894 1.15906800 1 V V20 1 6.55458983 1.88775383 0.00000000 1 V V21 1 7.44591817 6.55458983 0.00000000 1 V V22 1 4.66683600 6.03743906 1.15906800 1 V V23 1 2.77908217 1.88775383 2.31813600 1 S S24 1 1.95600164 0.00000000 1.15906800 1 S S25 1 7.37767036 0.00000000 1.15906800 1 S S26 1 6.62283764 4.66683600 1.15906800 1 S S27 1 2.71083436 4.66683600 1.15906800 1 S S28 1 4.66683600 2.71083436 3.47720400 1 S S29 1 0.00000000 1.95600164 3.47720400 1 S S30 1 4.66683600 6.62283764 3.47720400 1 S S31 1 0.00000000 7.37767036 3.47720400 1 [/CIF]
S8V24
P4_2/nbc
133
tetragonal
4/mmm
6,081.03293
false
[CIF] data_YZrSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61394183 _cell_length_b 3.61394183 _cell_length_c 6.14808813 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrSi2 _chemical_formula_sum 'Y1 Zr1 Si2' _cell_volume 80.29756951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80697092 1.80697092 4.32058928 1 Si Si1 1 1.80697092 1.80697092 1.82749885 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.07404406 1 [/CIF]
Si2YZr
P4/mmm
123
tetragonal
4/mmm
4,886.658404
false
[CIF] data_K2WCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.04136158 _cell_length_b 10.04136158 _cell_length_c 10.04136158 _cell_angle_alpha 158.71868696 _cell_angle_beta 157.50833451 _cell_angle_gamma 31.15788065 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2WCl _chemical_formula_sum 'K2 W1 Cl1' _cell_volume 140.47702232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.44542396 1 K K1 1 -0.00000000 1.95825616 8.26018624 1 K K2 1 0.00000000 0.00000000 4.21106115 1 W W3 1 0.00000000 1.95825616 1.10069487 1 [/CIF]
ClK2W
Imm2
44
orthorhombic
mm2
3,516.540247
false
[CIF] data_TcOsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73960858 _cell_length_b 2.73960858 _cell_length_c 9.91707365 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.35491355 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcOsAu2 _chemical_formula_sum 'Tc1 Os1 Au2' _cell_volume 65.50197385 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40372280 0.00000000 2.46965817 1 Au Au1 1 1.40372280 0.00000000 7.44741548 1 Os Os2 1 0.00000000 0.00000000 4.95853683 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2OsTc
Cmmm
65
orthorhombic
mmm
17,316.475432
false
[CIF] data_BeNbHgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93377636 _cell_length_b 4.93377636 _cell_length_c 4.93377636 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbHgBi _chemical_formula_sum 'Be1 Nb1 Hg1 Bi1' _cell_volume 84.92261934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 5.23306008 5.23306008 5.23306008 1 Hg Hg2 1 3.48870672 3.48870672 3.48870672 1 Nb Nb3 1 1.74435336 1.74435336 1.74435336 1 [/CIF]
BeBiHgNb
F-43m
216
cubic
-43m
10,001.427301
false
[CIF] data_ZnBiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70510320 _cell_length_b 6.50196124 _cell_length_c 3.41171491 _cell_angle_alpha 78.35262465 _cell_angle_beta 71.75672573 _cell_angle_gamma 29.89064962 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBiAs _chemical_formula_sum 'Zn1 Bi1 As1' _cell_volume 69.63380971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.11623364 2.67607059 0.40024666 1 Bi Bi1 1 2.11623364 2.67607059 3.96643738 1 Zn Zn2 1 2.11623364 2.67607059 7.92917788 1 [/CIF]
AsBiZn
Fmm2
42
orthorhombic
mm2
8,329.235592
false
[CIF] data_MgRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39097576 _cell_length_b 4.39097576 _cell_length_c 3.49541028 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRh2Pb _chemical_formula_sum 'Mg1 Rh2 Pb1' _cell_volume 67.39384557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 2.19548788 2.19548788 0.00000000 1 Rh Rh2 1 2.19548788 0.00000000 1.74770514 1 Rh Rh3 1 0.00000000 2.19548788 1.74770514 1 [/CIF]
MgPbRh2
P4/mmm
123
tetragonal
4/mmm
10,775.172367
false
[CIF] data_YCr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03256688 _cell_length_b 3.03256688 _cell_length_c 6.95791211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2Os _chemical_formula_sum 'Y1 Cr2 Os1' _cell_volume 63.98817350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.51628344 1.51628344 0.45499151 1 Cr Cr1 1 0.00000000 0.00000000 1.65992126 1 Os Os2 1 1.51628344 1.51628344 3.07222734 1 Y Y3 1 0.00000000 0.00000000 5.24972806 1 [/CIF]
Cr2OsY
P4mm
99
tetragonal
4mm
9,942.571872
false
[CIF] data_TiFe2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89737595 _cell_length_b 8.89737595 _cell_length_c 8.89737595 _cell_angle_alpha 16.87912344 _cell_angle_beta 16.87912344 _cell_angle_gamma 16.87912344 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiFe2Cu _chemical_formula_sum 'Ti1 Fe2 Cu1' _cell_volume 51.79643990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.15301577 1 Fe Fe1 1 0.00000000 0.00000000 6.49547189 1 Fe Fe2 1 0.00000000 0.00000000 19.81055964 1 Ti Ti3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
CuFe2Ti
R-3m
166
trigonal
-3m
7,152.446154
false
[CIF] data_MgNiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66541447 _cell_length_b 3.66541447 _cell_length_c 3.66541447 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNiO3 _chemical_formula_sum 'Mg1 Ni1 O3' _cell_volume 49.24580828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.83270724 1.83270724 1.83270724 1 O O2 1 0.00000000 1.83270724 1.83270724 1 O O3 1 1.83270724 0.00000000 1.83270724 1 O O4 1 1.83270724 1.83270724 0.00000000 1 [/CIF]
MgNiO3
Pm-3m
221
cubic
m-3m
4,417.126645
false
[CIF] data_Ag3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95173308 _cell_length_b 4.95173308 _cell_length_c 4.95173308 _cell_angle_alpha 131.09098696 _cell_angle_beta 131.09098696 _cell_angle_gamma 71.66855969 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag3Rh _chemical_formula_sum 'Ag3 Rh1' _cell_volume 67.47426518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04987188 -0.00000000 2.00721892 1 Ag Ag1 1 -0.00000000 2.04987188 2.00721892 1 Ag Ag2 1 0.00000000 0.00000000 4.01443783 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag3Rh
I4/mmm
139
tetragonal
4/mmm
10,496.39713
false
[CIF] data_ZrInSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17018804 _cell_length_b 6.17018804 _cell_length_c 6.17018804 _cell_angle_alpha 138.76992306 _cell_angle_beta 138.76992306 _cell_angle_gamma 59.72584820 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInSb2 _chemical_formula_sum 'Zr1 In1 Sb2' _cell_volume 101.01475723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17244500 -0.00000000 2.67545258 1 Sb Sb1 1 0.00000000 -0.00000000 5.35090515 1 Sb Sb2 1 -0.00000000 2.17244500 2.67545258 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InSb2Zr
I-4m2
119
tetragonal
-42m
7,390.160451
false
[CIF] data_ScInIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61977272 _cell_length_b 4.61977272 _cell_length_c 4.61977272 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInIrPt _chemical_formula_sum 'Sc1 In1 Ir1 Pt1' _cell_volume 69.71830710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26667262 3.26667262 3.26667262 1 Ir Ir1 1 1.63333631 1.63333631 1.63333631 1 Pt Pt2 1 4.90000893 4.90000893 4.90000893 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InIrPtSc
F-43m
216
cubic
-43m
13,030.13945
false
[CIF] data_ZnInAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59664040 _cell_length_b 4.59664040 _cell_length_c 4.59664040 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInAs _chemical_formula_sum 'Zn1 In1 As1' _cell_volume 68.67625309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.87547340 4.87547340 4.87547340 1 In In1 1 1.62515780 1.62515780 1.62515780 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsInZn
F-43m
216
cubic
-43m
6,168.596034
false
[CIF] data_InRe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53198970 _cell_length_b 4.53198970 _cell_length_c 4.53198970 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRe2Se _chemical_formula_sum 'In1 Re2 Se1' _cell_volume 65.81907052 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20460065 3.20460065 3.20460065 1 Re Re1 1 4.80690098 4.80690098 4.80690098 1 Re Re2 1 1.60230033 1.60230033 1.60230033 1 Se Se3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
InRe2Se
Fm-3m
225
cubic
m-3m
14,284.369679
false
[CIF] data_Tl2NiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51176629 _cell_length_b 5.51176629 _cell_length_c 5.51176629 _cell_angle_alpha 143.19305564 _cell_angle_beta 121.52201589 _cell_angle_gamma 71.12619073 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2NiAg _chemical_formula_sum 'Tl2 Ni1 Ag1' _cell_volume 84.02021146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.48368707 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 -0.00000000 2.69224211 2.48007869 1 Tl Tl3 1 1.74010066 0.00000000 2.00360838 1 [/CIF]
AgNiTl2
Immm
71
orthorhombic
mmm
11,370.537346
false
[CIF] data_BeNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28655249 _cell_length_b 4.28655249 _cell_length_c 3.54714005 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.12904038 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNi _chemical_formula_sum 'Be2 Ni2' _cell_volume 36.32475066 _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 1.24864974 -3.46336700 2.66035504 1 Be Be1 1 1.24864974 3.46336700 0.88678501 1 Ni Ni2 1 1.24864974 -1.26418961 2.66035504 1 Ni Ni3 1 1.24864974 1.26418961 0.88678501 1 [/CIF]
Be2Ni2
Cmcm
63
orthorhombic
mmm
6,190.146492
false
[CIF] data_ScRe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78073664 _cell_length_b 3.78073664 _cell_length_c 4.46916939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRe2Ir _chemical_formula_sum 'Sc1 Re2 Ir1' _cell_volume 63.88217113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.89036832 1.89036832 0.00000000 1 Re Re1 1 1.89036832 0.00000000 2.23458470 1 Re Re2 1 0.00000000 1.89036832 2.23458470 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRe2Sc
P4/mmm
123
tetragonal
4/mmm
15,845.46774
false
[CIF] data_SbMoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30011386 _cell_length_b 7.30011386 _cell_length_c 7.30011386 _cell_angle_alpha 154.66327681 _cell_angle_beta 154.66327681 _cell_angle_gamma 36.13625412 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbMoBr _chemical_formula_sum 'Sb1 Mo1 Br1' _cell_volume 71.15312952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.22910882 1 Mo Mo1 1 0.00000000 -0.00000000 4.70952888 1 Sb Sb2 1 0.00000000 0.00000000 9.82189685 1 [/CIF]
BrMoSb
I4mm
107
tetragonal
4mm
6,945.812258
false
[CIF] data_TiZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21846613 _cell_length_b 5.21846613 _cell_length_c 6.99827320 _cell_angle_alpha 107.76107977 _cell_angle_beta 107.76107977 _cell_angle_gamma 30.63382865 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZn2 _chemical_formula_sum 'Ti2 Zn4' _cell_volume 92.12465165 _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 Ti Ti0 1 6.36225637 -0.00000000 5.98414319 1 Ti Ti1 1 1.49051575 -0.00000000 0.65487284 1 Zn Zn2 1 4.20361341 -0.00000000 1.60744809 1 Zn Zn3 1 7.50249855 -0.00000000 3.05461921 1 Zn Zn4 1 0.35027356 -0.00000000 3.58439682 1 Zn Zn5 1 3.64915871 0.00000000 5.03156794 1 [/CIF]
Ti2Zn4
C2/m
12
monoclinic
2/m
6,439.473182
false
[CIF] data_Ca2AlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13764849 _cell_length_b 5.13764849 _cell_length_c 5.13764849 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2AlCr _chemical_formula_sum 'Ca2 Al1 Cr1' _cell_volume 95.89107005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 -0.00000000 0.00000000 1 Ca Ca1 1 3.63286609 3.63286609 3.63286609 1 Ca Ca2 1 5.44929914 5.44929914 5.44929914 1 Cr Cr3 1 1.81643305 1.81643305 1.81643305 1 [/CIF]
AlCa2Cr
F-43m
216
cubic
-43m
2,755.706278
false
[CIF] data_Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74776827 _cell_length_b 2.74776827 _cell_length_c 4.89152987 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo _chemical_formula_sum Mo2 _cell_volume 31.98420413 _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 Mo Mo0 1 0.00000000 1.58642475 1.22288247 1 Mo Mo1 1 1.37388413 0.79321237 3.66864740 1 [/CIF]
Mo2
P6_3/mmc
194
hexagonal
6/mmm
9,964.001477
false
[CIF] data_ScCdCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19118888 _cell_length_b 3.19118888 _cell_length_c 6.63472611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCdCu2 _chemical_formula_sum 'Sc1 Cd1 Cu2' _cell_volume 67.56597047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59559444 1.59559444 5.22751696 1 Cu Cu1 1 0.00000000 0.00000000 0.23484628 1 Cu Cu2 1 1.59559444 1.59559444 1.44494761 1 Sc Sc3 1 0.00000000 0.00000000 3.04477832 1 [/CIF]
CdCu2Sc
P4mm
99
tetragonal
4mm
6,991.0452
false
[CIF] data_HfBeOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42738629 _cell_length_b 4.42738629 _cell_length_c 4.42738629 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeOsPt _chemical_formula_sum 'Hf1 Be1 Os1 Pt1' _cell_volume 61.36592012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69595231 4.69595231 4.69595231 1 Os Os2 1 1.56531744 1.56531744 1.56531744 1 Pt Pt3 1 3.13063487 3.13063487 3.13063487 1 [/CIF]
BeHfOsPt
F-43m
216
cubic
-43m
15,500.193697
false
[CIF] data_YZnSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78448517 _cell_length_b 4.78448517 _cell_length_c 4.78448517 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnSnIr _chemical_formula_sum 'Y1 Zn1 Sn1 Ir1' _cell_volume 77.44451088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38314191 3.38314191 3.38314191 1 Sn Sn1 1 1.69157096 1.69157095 1.69157096 1 Y Y2 1 5.07471287 5.07471287 5.07471286 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrSnYZn
F-43m
216
cubic
-43m
9,974.936932
false
[CIF] data_Cs2Cr4Cd(HO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70983900 _cell_length_b 8.13315583 _cell_length_c 8.17140319 _cell_angle_alpha 91.14721732 _cell_angle_beta 116.90365275 _cell_angle_gamma 98.54037523 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2Cr4Cd(HO4)4 _chemical_formula_sum 'Cs2 Cr4 Cd1 H4 O16' _cell_volume 449.65164608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 4.29199487 2.44774135 1.88165510 1 Cs Cs1 1 -1.48747187 4.87453465 5.36961990 1 Cr Cr2 1 -0.02135879 1.04777631 3.61244018 1 Cr Cr3 1 2.82588179 6.27449969 3.63883482 1 Cr Cr4 1 2.24927329 2.22155448 5.58583116 1 Cr Cr5 1 0.55524971 5.10072152 1.66544384 1 Cd Cd6 1 0.00000000 0.00000000 0.00000000 1 H H7 1 1.36839184 4.86866235 7.19358386 1 H H8 1 4.63792921 6.20965488 1.32304588 1 H H9 1 -1.83340621 1.11262112 5.92822912 1 H H10 1 1.43613116 2.45361365 0.05769114 1 O O11 1 3.69446208 2.88571709 5.29986263 1 O O12 1 -0.88993908 4.43655891 1.95141237 1 O O13 1 4.84606748 6.45417999 0.38024961 1 O O14 1 4.05696466 5.52505799 2.85457317 1 O O15 1 1.29511543 5.43143082 3.26290697 1 O O16 1 3.09305051 6.22802678 5.27084303 1 O O17 1 3.92828932 -0.24619483 3.11857759 1 O O18 1 -1.25244166 1.79721801 4.39670183 1 O O19 1 1.50940757 1.89084518 3.98836803 1 O O20 1 2.40508973 0.82128596 6.45029916 1 O O21 1 -0.28852751 1.09424922 1.98043197 1 O O22 1 1.51524519 4.06215307 0.82742849 1 O O23 1 1.28927781 3.26012293 6.42384651 1 O O24 1 -2.04154448 0.86809601 6.87102539 1 O O25 1 -1.12376632 7.56847083 4.13269741 1 O O26 1 0.39943327 6.50099004 0.80097584 1 [/CIF]
CdCr4Cs2H4O16
P-1
2
triclinic
-1
3,125.075679
false
[CIF] data_TcTe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25435344 _cell_length_b 3.25435344 _cell_length_c 8.04286692 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcTe2P _chemical_formula_sum 'Tc1 Te2 P1' _cell_volume 85.18052618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51470273 1 Tc Tc1 1 1.62717672 1.62717672 5.46689678 1 Te Te2 1 0.00000000 0.00000000 7.48765004 1 Te Te3 1 1.62717672 1.62717672 2.63791783 1 [/CIF]
PTcTe2
P4mm
99
tetragonal
4mm
7,506.883902
false
[CIF] data_LiTaGaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48478906 _cell_length_b 4.48478906 _cell_length_c 4.48478906 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaGaMo _chemical_formula_sum 'Li1 Ta1 Ga1 Mo1' _cell_volume 63.78389948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.58561238 1.58561238 1.58561238 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.75683714 4.75683714 4.75683714 1 Ta Ta3 1 3.17122476 3.17122476 3.17122476 1 [/CIF]
GaLiMoTa
F-43m
216
cubic
-43m
9,204.829501
false
[CIF] data_LaNbTlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03607593 _cell_length_b 5.03607593 _cell_length_c 5.03607593 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbTlPt _chemical_formula_sum 'La1 Nb1 Tl1 Pt1' _cell_volume 90.31540011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78052172 1.78052172 1.78052172 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.56104344 3.56104344 3.56104344 1 Tl Tl3 1 5.34156516 5.34156516 5.34156516 1 [/CIF]
LaNbPtTl
F-43m
216
cubic
-43m
11,606.699292
false
[CIF] data_KNbRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58367652 _cell_length_b 4.58367652 _cell_length_c 4.58367652 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbRe _chemical_formula_sum 'K1 Nb1 Re1' _cell_volume 68.09682836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.86172313 4.86172313 4.86172313 1 Re Re2 1 3.24114875 3.24114875 3.24114875 1 [/CIF]
KNbRe
F-43m
216
cubic
-43m
7,759.582036
false
[CIF] data_NiAgIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38628913 _cell_length_b 4.38628913 _cell_length_c 4.38628913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAgIrPt _chemical_formula_sum 'Ni1 Ag1 Ir1 Pt1' _cell_volume 59.67284853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.10157479 3.10157479 3.10157479 1 Ir Ir1 1 1.55078739 1.55078740 1.55078740 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 4.65236219 4.65236218 4.65236218 1 [/CIF]
AgIrNiPt
F-43m
216
cubic
-43m
15,412.545363
false
[CIF] data_VGa2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91371447 _cell_length_b 2.91371447 _cell_length_c 8.76535498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGa2Sn _chemical_formula_sum 'V1 Ga2 Sn1' _cell_volume 74.41551478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.45685723 1.45685723 8.54051933 1 Ga Ga1 1 0.00000000 0.00000000 1.93942989 1 Sn Sn2 1 1.45685723 1.45685723 4.65664935 1 V V3 1 0.00000000 0.00000000 6.77678887 1 [/CIF]
Ga2SnV
P4mm
99
tetragonal
4mm
6,897.3315
false
[CIF] data_YSnOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38335120 _cell_length_b 5.38335120 _cell_length_c 5.38335120 _cell_angle_alpha 135.99021451 _cell_angle_beta 135.99021451 _cell_angle_gamma 63.99546411 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSnOs2 _chemical_formula_sum 'Y1 Sn1 Os2' _cell_volume 74.29913386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01706508 -0.00000000 2.28272683 1 Os Os1 1 0.00000000 -0.00000000 4.56545365 1 Sn Sn2 1 -0.00000000 2.01706508 2.28272683 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2SnY
I-4m2
119
tetragonal
-42m
13,143.126606
false
[CIF] data_NaLaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74978449 _cell_length_b 4.74978449 _cell_length_c 4.74978449 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaOs _chemical_formula_sum 'Na1 La1 Os1' _cell_volume 75.77164509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.03790723 5.03790723 5.03790723 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.35860482 3.35860482 3.35860482 1 [/CIF]
LaNaOs
F-43m
216
cubic
-43m
7,716.840719
false
[CIF] data_TiZnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55488049 _cell_length_b 4.55488049 _cell_length_c 4.55488049 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnAu2 _chemical_formula_sum 'Ti1 Zn1 Au2' _cell_volume 66.82146008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61039344 1.61039344 1.61039344 1 Au Au1 1 4.83118032 4.83118032 4.83118032 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.22078688 3.22078688 3.22078688 1 [/CIF]
Au2TiZn
Fm-3m
225
cubic
m-3m
12,603.622128
false
[CIF] data_CrCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04725876 _cell_length_b 3.04725876 _cell_length_c 5.83246969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2Sn _chemical_formula_sum 'Cr1 Co2 Sn1' _cell_volume 54.15906514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.52362938 1.52362938 4.49003038 1 Co Co1 1 1.52362938 1.52362938 1.34243931 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 2.91623484 1 [/CIF]
Co2CrSn
P4/mmm
123
tetragonal
4/mmm
8,847.750684
false
[CIF] data_TcPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.86545840 _cell_length_b 9.86545840 _cell_length_c 9.86545840 _cell_angle_alpha 164.21807176 _cell_angle_beta 157.43563278 _cell_angle_gamma 27.65568848 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPt2 _chemical_formula_sum 'Tc2 Pt4' _cell_volume 100.16896001 _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 Pt Pt0 1 -0.00000000 0.96504510 0.91644203 1 Pt Pt1 1 -0.00000000 0.96504510 3.61914067 1 Pt Pt2 1 1.35441236 0.96504510 5.96039943 1 Pt Pt3 1 1.35441236 0.96504510 8.66309806 1 Tc Tc4 1 -0.00000000 0.96504510 11.80015240 1 Tc Tc5 1 1.35441236 0.96504510 -2.22061231 1 [/CIF]
Pt8Tc4
Imma
74
orthorhombic
mmm
16,215.13921
false
[CIF] data_ZnCd2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03228982 _cell_length_b 4.44717766 _cell_length_c 5.55360604 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.06872310 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCd2Pd _chemical_formula_sum 'Zn1 Cd2 Pd1' _cell_volume 72.31595413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.34235714 2.22358883 5.16745773 1 Cd Cd1 1 1.37888147 0.00000000 1.55106486 1 Pd Pd2 1 -0.14288332 2.22358883 2.66585217 1 Zn Zn3 1 -0.12330629 0.00000000 4.02223420 1 [/CIF]
Cd2PdZn
Pm
6
monoclinic
m
9,107.344757
false
[CIF] data_TlNiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45005945 _cell_length_b 4.45005945 _cell_length_c 4.45005945 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiIr2 _chemical_formula_sum 'Tl1 Ni1 Ir2' _cell_volume 62.31354262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72000083 4.72000083 4.72000083 1 Ir Ir1 1 1.57333361 1.57333361 1.57333361 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.14666722 3.14666722 3.14666722 1 [/CIF]
Ir2NiTl
Fm-3m
225
cubic
m-3m
17,254.946006
false
[CIF] data_LiTa2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20952004 _cell_length_b 3.20952004 _cell_length_c 6.25790669 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTa2Se _chemical_formula_sum 'Li1 Ta2 Se1' _cell_volume 64.46281501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 0.00000000 0.00000000 3.12895335 1 Ta Ta2 1 1.60476002 1.60476002 4.75274327 1 Ta Ta3 1 1.60476002 1.60476002 1.50516342 1 [/CIF]
LiSeTa2
P4/mmm
123
tetragonal
4/mmm
11,535.084433
false
[CIF] data_ScMn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28579841 _cell_length_b 4.28579841 _cell_length_c 2.95322780 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMn2Ru _chemical_formula_sum 'Sc1 Mn2 Ru1' _cell_volume 54.24508908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14289920 1.47661390 1 Mn Mn1 1 2.14289920 0.00000000 1.47661390 1 Ru Ru2 1 2.14289920 2.14289920 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2RuSc
P4/mmm
123
tetragonal
4/mmm
7,833.61736
false
[CIF] data_CaReTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44190725 _cell_length_b 3.44190725 _cell_length_c 7.66364172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaReTe2 _chemical_formula_sum 'Ca1 Re1 Te2' _cell_volume 90.78905992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 0.00000000 0.00000000 3.83182086 1 Te Te2 1 1.72095363 1.72095363 5.45805284 1 Te Te3 1 1.72095363 1.72095363 2.20558888 1 [/CIF]
CaReTe2
P4/mmm
123
tetragonal
4/mmm
8,806.399854
false
[CIF] data_KIn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01762144 _cell_length_b 5.01762144 _cell_length_c 5.01762144 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KIn2Ir _chemical_formula_sum 'K1 In2 Ir1' _cell_volume 89.32616289 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 5.32199122 5.32199122 5.32199122 1 In In1 1 1.77399707 1.77399707 1.77399707 1 Ir Ir2 1 3.54799414 3.54799414 3.54799414 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2IrK
Fm-3m
225
cubic
m-3m
8,569.135542
false
[CIF] data_Cd2GeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41713024 _cell_length_b 5.41713024 _cell_length_c 5.41713024 _cell_angle_alpha 131.81493062 _cell_angle_beta 131.81493062 _cell_angle_gamma 70.52148136 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2GeAs _chemical_formula_sum 'Cd2 Ge1 As1' _cell_volume 86.51915387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.21133497 0.00000000 2.21163375 1 Cd Cd1 1 0.00000000 -0.00000000 4.42326750 1 Cd Cd2 1 -0.00000000 2.21133497 2.21163375 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCd2Ge
I-4m2
119
tetragonal
-42m
7,147.059211
false
[CIF] data_HoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79208900 _cell_length_b 3.79208900 _cell_length_c 3.79208900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoSb _chemical_formula_sum 'Ho1 Sb1' _cell_volume 54.53000844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 1.89604450 1.89604450 1.89604450 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HoSb
Pm-3m
221
cubic
m-3m
8,730.247619
false
[CIF] data_CaHfPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17807283 _cell_length_b 3.17807283 _cell_length_c 7.30003467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.95775773 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfPt2 _chemical_formula_sum 'Ca1 Hf1 Pt2' _cell_volume 73.45557013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 3.65001733 1 Pt Pt2 1 2.14793849 0.00000000 5.40781853 1 Pt Pt3 1 2.14793849 0.00000000 1.89221614 1 [/CIF]
CaHfPt2
Cmmm
65
orthorhombic
mmm
13,761.106305
false
[CIF] data_BiIrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70645533 _cell_length_b 4.70645533 _cell_length_c 4.70645533 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiIrSe _chemical_formula_sum 'Bi1 Ir1 Se1' _cell_volume 73.71685960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66398324 1.66398324 1.66398324 1 Ir Ir1 1 3.32796648 3.32796648 3.32796648 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIrSe
F-43m
216
cubic
-43m
10,815.980565
false
[CIF] data_GeBMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89539844 _cell_length_b 2.89539844 _cell_length_c 7.07469469 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.04481266 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBMo2 _chemical_formula_sum 'Ge1 B1 Mo2' _cell_volume 54.97343116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 3.53734734 1 Mo Mo2 1 1.61814743 0.00000000 5.61064315 1 Mo Mo3 1 1.61814743 0.00000000 1.46405154 1 [/CIF]
BGeMo2
Cmmm
65
orthorhombic
mmm
8,317.914557
false
[CIF] data_AcZr2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17762262 _cell_length_b 5.17762262 _cell_length_c 5.17762262 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcZr2Nb _chemical_formula_sum 'Ac1 Zr2 Nb1' _cell_volume 98.14680829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 3.66113207 3.66113206 3.66113207 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.83056603 1.83056603 1.83056603 1 Zr Zr3 1 5.49169810 5.49169810 5.49169810 1 [/CIF]
AcNbZr2
Fm-3m
225
cubic
m-3m
8,499.299038
false
[CIF] data_BMoAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33375746 _cell_length_b 5.33375746 _cell_length_c 5.33375746 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BMoAs4 _chemical_formula_sum 'B1 Mo1 As4' _cell_volume 107.29631144 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71253613 2.83053601 4.71253613 1 As As1 1 2.83053601 4.71253613 4.71253613 1 As As2 1 2.83053601 2.83053601 2.83053601 1 As As3 1 4.71253613 4.71253613 2.83053601 1 B B4 1 0.00000000 0.00000000 0.00000000 1 Mo Mo5 1 5.65730411 5.65730411 5.65730411 1 [/CIF]
As4BMo
F-43m
216
cubic
-43m
6,290.415603
false
[CIF] data_Re4TeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26282905 _cell_length_b 5.26282905 _cell_length_c 5.26282905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re4TeW _chemical_formula_sum 'Re4 Te1 W1' _cell_volume 103.07249579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.78959623 2.78959623 4.65316799 1 Re Re1 1 2.78959623 4.65316799 2.78959623 1 Re Re2 1 4.65316799 2.78959623 2.78959623 1 Re Re3 1 4.65316799 4.65316799 4.65316799 1 Te Te4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 1.86069105 1.86069105 1.86069105 1 [/CIF]
Re4TeW
F-43m
216
cubic
-43m
17,016.899275
false
[CIF] data_TaHgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91933151 _cell_length_b 4.07294620 _cell_length_c 5.82466830 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaHgPd2 _chemical_formula_sum 'Ta1 Hg1 Pd2' _cell_volume 69.25693804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45966575 2.03647310 4.44596314 1 Pd Pd1 1 0.00000000 0.00000000 0.03564417 1 Pd Pd2 1 1.45966575 2.03647310 1.52882731 1 Ta Ta3 1 0.00000000 0.00000000 2.72656789 1 [/CIF]
HgPd2Ta
Pmm2
25
orthorhombic
mm2
14,251.102026
false
[CIF] data_Mg3Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92535143 _cell_length_b 6.13194754 _cell_length_c 5.46347202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Ga _chemical_formula_sum 'Mg6 Ga2' _cell_volume 165.00776329 _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 Ga Ga0 1 2.46267572 0.00000000 3.66262018 1 Ga Ga1 1 0.00000000 3.06597377 1.80085184 1 Mg Mg2 1 0.00000000 0.00000000 1.92982518 1 Mg Mg3 1 2.46267572 3.06597377 3.53364684 1 Mg Mg4 1 2.46267572 1.53627557 0.89260430 1 Mg Mg5 1 2.46267572 4.59567197 0.89260430 1 Mg Mg6 1 0.00000000 4.60224934 4.57086772 1 Mg Mg7 1 0.00000000 1.52969820 4.57086772 1 [/CIF]
Ga2Mg6
Pmmn
59
orthorhombic
mmm
2,870.846397
false
[CIF] data_LiBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55197112 _cell_length_b 4.55197112 _cell_length_c 4.55197112 _cell_angle_alpha 30.57827665 _cell_angle_beta 30.57827665 _cell_angle_gamma 30.57827665 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBe _chemical_formula_sum 'Li1 Be1' _cell_volume 21.63964477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.50374962 1 Li Li1 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
BeLi
R-3m
166
trigonal
-3m
1,224.182848
false
[CIF] data_Gd2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92792028 _cell_length_b 4.92792028 _cell_length_c 4.92792028 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2IrPd _chemical_formula_sum 'Gd2 Ir1 Pd1' _cell_volume 84.62058502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 1.74228292 1.74228292 1.74228292 1 Gd Gd1 1 5.22684877 5.22684877 5.22684877 1 Ir Ir2 1 3.48456585 3.48456585 3.48456585 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Gd2IrPd
Fm-3m
225
cubic
m-3m
12,031.799844
false
[CIF] data_Sn2PAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92085896 _cell_length_b 3.96206897 _cell_length_c 5.02615553 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.91766156 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2PAu _chemical_formula_sum 'Sn2 P1 Au1' _cell_volume 92.70076893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78886382 1.98103448 2.28439161 1 P P1 1 3.23463307 0.00000000 1.31520841 1 Sn Sn2 1 4.68504548 1.98103448 0.18337793 1 Sn Sn3 1 0.14931748 0.00000000 3.34902719 1 [/CIF]
AuPSn2
Pm
6
monoclinic
m
8,335.950377
false
[CIF] data_SrMnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21195100 _cell_length_b 6.21195100 _cell_length_c 6.21195100 _cell_angle_alpha 43.06438134 _cell_angle_beta 43.06438134 _cell_angle_gamma 43.06438134 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnAu2 _chemical_formula_sum 'Sr1 Mn1 Au2' _cell_volume 101.31503833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.24401684 1 Au Au1 1 0.00000000 -0.00000000 3.71710471 1 Mn Mn2 1 0.00000000 -0.00000000 9.63399977 1 Sr Sr3 1 -0.00000000 -0.00000000 12.86176050 1 [/CIF]
Au2MnSr
R3m
160
trigonal
3m
8,829.206758
false
[CIF] data_CuTcSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66452895 _cell_length_b 4.66452895 _cell_length_c 4.66452895 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcSn2 _chemical_formula_sum 'Cu1 Tc1 Sn2' _cell_volume 71.76428794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 1.64916002 1.64916003 1.64916003 1 Sn Sn2 1 4.94748007 4.94748007 4.94748008 1 Tc Tc3 1 3.29832005 3.29832005 3.29832005 1 [/CIF]
CuSn2Tc
Fm-3m
225
cubic
m-3m
9,252.560415
false
[CIF] data_YSi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24536850 _cell_length_b 3.24536850 _cell_length_c 8.27222566 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi2Sn _chemical_formula_sum 'Y1 Si2 Sn1' _cell_volume 87.12652769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62268425 1.62268425 2.01408808 1 Si Si1 1 1.62268425 1.62268425 6.25813758 1 Sn Sn2 1 0.00000000 0.00000000 4.13611283 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Si2SnY
P4/mmm
123
tetragonal
4/mmm
5,027.49715
false
[CIF] data_Cs2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56121537 _cell_length_b 8.56121537 _cell_length_c 8.56121537 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2O3 _chemical_formula_sum 'Cs8 O12' _cell_volume 483.04142533 _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 Cs Cs0 1 1.96842864 1.96842864 1.96842864 1 Cs Cs1 1 1.96842864 -1.96842864 2.97439136 1 Cs Cs2 1 2.97439136 1.96842864 -1.96842864 1 Cs Cs3 1 4.43983864 4.43983864 4.43983864 1 Cs Cs4 1 -1.96842864 2.97439136 1.96842864 1 Cs Cs5 1 -0.50298136 0.50298136 5.44580136 1 Cs Cs6 1 0.50298136 5.44580136 -0.50298136 1 Cs Cs7 1 5.44580136 -0.50298136 0.50298136 1 O O8 1 4.94282000 -2.47141000 4.40648449 1 O O9 1 4.94282000 2.47141000 0.53633551 1 O O10 1 -2.47141000 4.40648449 4.94282000 1 O O11 1 2.47141000 1.93507449 4.94282000 1 O O12 1 2.47141000 0.53633551 4.94282000 1 O O13 1 -2.47141000 3.00774551 4.94282000 1 O O14 1 4.40648449 4.94282000 -2.47141000 1 O O15 1 4.94282000 2.47141000 1.93507449 1 O O16 1 0.53633551 4.94282000 2.47141000 1 O O17 1 4.94282000 -2.47141000 3.00774551 1 O O18 1 1.93507449 4.94282000 2.47141000 1 O O19 1 3.00774551 4.94282000 -2.47141000 1 [/CIF]
Cs8O12
I-43d
220
cubic
-43m
4,315.093895
false
[CIF] data_Mn2BeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92001667 _cell_length_b 3.92001667 _cell_length_c 3.08886305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2BeW _chemical_formula_sum 'Mn2 Be1 W1' _cell_volume 47.46510874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1.96000833 1.54443153 1 Mn Mn2 1 1.96000833 0.00000000 1.54443153 1 W W3 1 1.96000833 1.96000833 0.00000000 1 [/CIF]
BeMn2W
P4/mmm
123
tetragonal
4/mmm
10,590.771535
false
[CIF] data_NaAlSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65442031 _cell_length_b 7.65442031 _cell_length_c 14.30893162 _cell_angle_alpha 97.73351961 _cell_angle_beta 97.73351961 _cell_angle_gamma 90.00570577 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlSe2 _chemical_formula_sum 'Na8 Al8 Se16' _cell_volume 823.03985873 _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 Na Na0 1 4.72008129 -3.38325230 1.67511150 1 Na Na1 1 4.74276671 -3.38325230 5.34859350 1 Na Na2 1 3.38116871 3.38325230 12.37229850 1 Na Na3 1 3.35848329 3.38325230 8.69881650 1 Na Na4 1 2.02444419 -0.66690099 5.23597541 1 Na Na5 1 7.43840381 -0.66690099 1.78772959 1 Na Na6 1 6.07680581 0.66690099 8.81143459 1 Na Na7 1 0.66284619 0.66690099 12.25968041 1 Al Al8 1 6.06588295 3.36589899 2.13264969 1 Al Al9 1 3.39696505 3.36589899 4.89105531 1 Al Al10 1 2.03536705 -3.36589899 11.91476031 1 Al Al11 1 4.70428495 -3.36589899 9.15635469 1 Al Al12 1 6.06528302 0.69619486 4.89326075 1 Al Al13 1 3.39756498 0.69619486 2.13044425 1 Al Al14 1 2.03596698 -0.69619486 9.15414925 1 Al Al15 1 4.70368502 -0.69619486 11.91696575 1 Se Se16 1 4.73142400 4.82840021 3.51185250 1 Se Se17 1 3.36982600 -4.82840021 10.53555750 1 Se Se18 1 4.73142400 -0.76134828 3.51185250 1 Se Se19 1 3.36982600 0.76134828 10.53555750 1 Se Se20 1 2.03048363 -0.67995116 0.70404214 1 Se Se21 1 7.43236437 -0.67995116 6.31966286 1 Se Se22 1 6.07076637 0.67995116 13.34336786 1 Se Se23 1 0.66888563 0.67995116 7.72774714 1 Se Se24 1 7.52508936 2.03223773 3.51380509 1 Se Se25 1 1.93775864 2.03223773 3.50989991 1 Se Se26 1 0.57616064 -2.03223773 10.53360491 1 Se Se27 1 6.16349136 -2.03223773 10.53751009 1 Se Se28 1 4.73400677 2.03334193 6.37232660 1 Se Se29 1 4.72884123 2.03334193 0.65137840 1 Se Se30 1 3.36724323 -2.03334193 7.67508340 1 Se Se31 1 3.37240877 -2.03334193 13.39603160 1 [/CIF]
Al8Na8Se16
C2/c
15
monoclinic
2/m
3,355.479176
false
[CIF] data_InSbBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.03998888 _cell_length_b 10.03998888 _cell_length_c 10.03998888 _cell_angle_alpha 21.08217533 _cell_angle_beta 21.08217533 _cell_angle_gamma 21.08217533 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSbBr2 _chemical_formula_sum 'In1 Sb1 Br2' _cell_volume 114.68268071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.33483894 1 Br Br1 1 -0.00000000 0.00000000 22.10543691 1 In In2 1 -0.00000000 0.00000000 -0.00000000 1 Sb Sb3 1 0.00000000 -0.00000000 14.72013792 1 [/CIF]
Br2InSb
R-3m
166
trigonal
-3m
5,739.440633
false
[CIF] data_TaMn2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27646350 _cell_length_b 4.27646350 _cell_length_c 4.27646350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMn2Si _chemical_formula_sum 'Ta1 Mn2 Si1' _cell_volume 55.30180556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02391634 3.02391634 3.02391634 1 Mn Mn1 1 4.53587451 4.53587451 4.53587451 1 Si Si2 1 0.00000000 -0.00000000 0.00000000 1 Ta Ta3 1 1.51195817 1.51195817 1.51195817 1 [/CIF]
Mn2SiTa
F-43m
216
cubic
-43m
9,575.847086
false
[CIF] data_NaGaCoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37552082 _cell_length_b 4.37552082 _cell_length_c 4.37552082 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGaCoTc _chemical_formula_sum 'Na1 Ga1 Co1 Tc1' _cell_volume 59.23443699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.64094066 4.64094066 4.64094066 1 Ga Ga1 1 1.54698022 1.54698022 1.54698022 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.09396044 3.09396044 3.09396044 1 [/CIF]
CoGaNaTc
F-43m
216
cubic
-43m
7,023.813818
false
[CIF] data_YAl2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70142571 _cell_length_b 4.70142571 _cell_length_c 4.70142571 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAl2W _chemical_formula_sum 'Y1 Al2 W1' _cell_volume 73.48077628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.98661500 4.98661500 4.98661500 1 Al Al1 1 1.66220500 1.66220500 1.66220500 1 W W2 1 3.32441000 3.32441000 3.32441000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2WY
Fm-3m
225
cubic
m-3m
7,383.059413
false
[CIF] data_NaLiScPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68426874 _cell_length_b 4.68426874 _cell_length_c 4.68426874 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiScPt _chemical_formula_sum 'Na1 Li1 Sc1 Pt1' _cell_volume 72.67924556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 -0.00000000 -0.00000000 -0.00000000 1 Na Na1 1 4.96841728 4.96841728 4.96841729 1 Pt Pt2 1 1.65613910 1.65613910 1.65613910 1 Sc Sc3 1 3.31227819 3.31227819 3.31227819 1 [/CIF]
LiNaPtSc
F-43m
216
cubic
-43m
6,168.155154
false
[CIF] data_BaBeCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33176685 _cell_length_b 5.33176685 _cell_length_c 5.33176685 _cell_angle_alpha 140.92711147 _cell_angle_beta 140.92711147 _cell_angle_gamma 56.44828026 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeCr _chemical_formula_sum 'Ba1 Be1 Cr1' _cell_volume 59.73788728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.39312002 1 Be Be1 1 -0.00000000 0.00000000 3.10783473 1 Cr Cr2 1 -0.00000000 0.00000000 6.29041543 1 [/CIF]
BaBeCr
I4mm
107
tetragonal
4mm
5,513.14248
false
[CIF] data_KYAgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19893502 _cell_length_b 5.19893502 _cell_length_c 5.19893502 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYAgPd _chemical_formula_sum 'K1 Y1 Ag1 Pd1' _cell_volume 99.36379521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83810111 1.83810111 1.83810110 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 5.51430332 5.51430332 5.51430332 1 Y Y3 1 3.67620221 3.67620221 3.67620221 1 [/CIF]
AgKPdY
F-43m
216
cubic
-43m
5,720.290959
false
[CIF] data_ZrMn2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22647277 _cell_length_b 3.22647277 _cell_length_c 7.10641951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMn2Br _chemical_formula_sum 'Zr1 Mn2 Br1' _cell_volume 73.97872631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.40862660 1 Mn Mn1 1 1.61323638 1.61323638 0.32926017 1 Mn Mn2 1 0.00000000 0.00000000 1.72801331 1 Zr Zr3 1 1.61323638 1.61323638 3.19372925 1 [/CIF]
BrMn2Zr
P4mm
99
tetragonal
4mm
6,307.465572
false
[CIF] data_ZnFeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11774493 _cell_length_b 5.11774493 _cell_length_c 5.11774493 _cell_angle_alpha 146.49055850 _cell_angle_beta 146.49055850 _cell_angle_gamma 48.11869036 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeW _chemical_formula_sum 'Zn1 Fe1 W1' _cell_volume 40.68552878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.29472185 1 W W1 1 0.00000000 -0.00000000 3.26730807 1 Zn Zn2 1 -0.00000000 0.00000000 6.13050649 1 [/CIF]
FeWZn
I4mm
107
tetragonal
4mm
12,450.985254
false
[CIF] data_LiMgPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53424785 _cell_length_b 4.53424785 _cell_length_c 4.53424785 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgPdAu _chemical_formula_sum 'Li1 Mg1 Pd1 Au1' _cell_volume 65.91750616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20619740 3.20619740 3.20619740 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 4.80929610 4.80929610 4.80929610 1 Pd Pd3 1 1.60309870 1.60309870 1.60309870 1 [/CIF]
AuLiMgPd
F-43m
216
cubic
-43m
8,429.785745
false
[CIF] data_Zr2PdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19340773 _cell_length_b 3.19340773 _cell_length_c 8.36769548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2PdPb _chemical_formula_sum 'Zr2 Pd1 Pb1' _cell_volume 85.33252787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 0.00000000 4.18384774 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.59670387 1.59670387 1.83232449 1 Zr Zr3 1 1.59670387 1.59670387 6.53537099 1 [/CIF]
PbPdZr2
P4/mmm
123
tetragonal
4/mmm
9,653.297685
false
[CIF] data_Zr2IrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64442023 _cell_length_b 4.64442023 _cell_length_c 3.33605995 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2IrOs _chemical_formula_sum 'Zr2 Ir1 Os1' _cell_volume 71.96094577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32221011 2.32221011 0.00000000 1 Os Os1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.32221011 1.66802998 1 Zr Zr3 1 2.32221011 0.00000000 1.66802998 1 [/CIF]
IrOsZr2
P4/mmm
123
tetragonal
4/mmm
13,035.268032
false
[CIF] data_CaReBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74011725 _cell_length_b 9.74011725 _cell_length_c 9.74011725 _cell_angle_alpha 160.15584162 _cell_angle_beta 159.57397723 _cell_angle_gamma 28.62871023 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaReBr2 _chemical_formula_sum 'Ca1 Re1 Br2' _cell_volume 109.41875137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.44463889 1 Br Br1 1 1.67830698 -0.00000000 4.82899051 1 Ca Ca2 1 -0.00000000 -0.00000000 10.66519773 1 Re Re3 1 0.00000000 1.72700303 3.81206784 1 [/CIF]
Br2CaRe
Imm2
44
orthorhombic
mm2
5,859.347706
false
[CIF] data_KVN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71496072 _cell_length_b 11.49090219 _cell_length_c 16.02342754 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVN2 _chemical_formula_sum 'K16 V16 N32' _cell_volume 1052.25936228 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39936237 0.01128211 7.00015191 1 K K1 1 4.25684273 5.73416898 9.02327563 1 K K2 1 4.31559835 5.75673321 1.01156186 1 K K3 1 1.45811799 11.47962008 15.01186568 1 K K4 1 4.31559835 11.47962008 9.02327563 1 K K5 1 1.45811799 5.75673321 7.00015191 1 K K6 1 1.39936237 5.73416898 15.01186568 1 K K7 1 4.25684273 0.01128211 1.01156186 1 K K8 1 1.77116971 2.96134327 5.00063886 1 K K9 1 4.62865007 2.78410782 11.02278868 1 K K10 1 3.94379101 8.70679437 3.01107491 1 K K11 1 1.08631065 8.52955892 13.01235263 1 K K12 1 3.94379101 8.52955892 11.02278868 1 K K13 1 1.08631065 8.70679437 5.00063886 1 K K14 1 1.77116971 2.78410782 13.01235263 1 K K15 1 4.62865007 2.96134327 3.01107491 1 V V16 1 4.22430648 0.08754091 5.00779764 1 V V17 1 1.36682612 5.65791018 11.01562990 1 V V18 1 1.49065424 5.83299201 3.00391613 1 V V19 1 4.34813460 11.40336128 13.01951141 1 V V20 1 1.49065424 11.40336128 11.01562990 1 V V21 1 4.34813460 5.83299201 5.00779764 1 V V22 1 4.22430648 5.65791018 13.01951141 1 V V23 1 1.36682612 0.08754091 3.00391613 1 V V24 1 4.50369085 3.00397670 7.02236887 1 V V25 1 1.64621049 2.74147439 9.00105867 1 V V26 1 1.21126987 8.74942780 0.98934490 1 V V27 1 4.06875023 8.48692549 15.03408264 1 V V28 1 1.21126987 8.48692549 9.00105867 1 V V29 1 4.06875023 8.74942780 7.02236887 1 V V30 1 4.50369085 2.74147439 15.03408264 1 V V31 1 1.64621049 3.00397670 0.98934490 1 N N32 1 0.49335096 3.10038675 7.64921529 1 N N33 1 3.35083132 2.64506435 8.37421225 1 N N34 1 5.22160976 8.84583784 0.36249848 1 N N35 1 2.36412940 8.39051544 15.66092906 1 N N36 1 5.22160976 8.39051544 8.37421225 1 N N37 1 2.36412940 8.84583784 7.64921529 1 N N38 1 0.49335096 2.64506435 15.66092906 1 N N39 1 3.35083132 3.10038675 0.36249848 1 N N40 1 4.04342015 4.59614806 6.29731326 1 N N41 1 1.18593979 1.14930303 9.72611428 1 N N42 1 1.67154057 10.34159916 1.71440051 1 N N43 1 4.52902093 6.89475413 14.30902703 1 N N44 1 1.67154057 6.89475413 9.72611428 1 N N45 1 4.52902093 10.34159916 6.29731326 1 N N46 1 4.04342015 1.14930303 14.30902703 1 N N47 1 1.18593979 4.59614806 1.71440051 1 N N48 1 4.39547150 1.73708773 5.72881150 1 N N49 1 1.53799114 4.00836337 10.29461604 1 N N50 1 1.31948922 7.48253882 2.28290227 1 N N51 1 4.17696958 9.75381446 13.74052527 1 N N52 1 1.31948922 9.75381446 10.29461604 1 N N53 1 4.17696958 7.48253882 5.72881150 1 N N54 1 4.39547150 4.00836337 13.74052527 1 N N55 1 1.53799114 1.73708773 2.28290227 1 N N56 1 3.16375951 5.61818441 3.65430929 1 N N57 1 0.30627915 0.12726668 12.36911825 1 N N58 1 2.55120121 11.36363551 4.35740448 1 N N59 1 5.40868157 5.87271778 11.66602306 1 N N60 1 2.55120121 5.87271778 12.36911825 1 N N61 1 5.40868157 11.36363551 3.65430929 1 N N62 1 3.16375951 0.12726668 11.66602306 1 N N63 1 0.30627915 5.61818441 4.35740448 1 [/CIF]
K16N32V16
Pbca
61
orthorhombic
mmm
2,980.739655
true
[CIF] data_YCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51448909 _cell_length_b 3.51448909 _cell_length_c 6.34892910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCu2Sn _chemical_formula_sum 'Y1 Cu2 Sn1' _cell_volume 78.41964597 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75724455 1.75724455 1.65257323 1 Cu Cu1 1 1.75724455 1.75724455 4.69635587 1 Sn Sn2 1 0.00000000 0.00000000 3.17446455 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2SnY
P4/mmm
123
tetragonal
4/mmm
7,087.462592
false
[CIF] data_LiPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23049121 _cell_length_b 5.23049121 _cell_length_c 5.23049121 _cell_angle_alpha 129.95328625 _cell_angle_beta 109.40097032 _cell_angle_gamma 91.47037459 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPbSe2 _chemical_formula_sum 'Li1 Pb1 Se2' _cell_volume 97.64973204 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 -0.00000000 3.65075536 1 Se Se2 1 -0.00000000 3.02244308 2.23076960 1 Se Se3 1 2.21243338 -0.00000000 1.41998576 1 [/CIF]
LiPbSe2
Immm
71
orthorhombic
mmm
6,326.917778
false
[CIF] data_CoMoRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82869683 _cell_length_b 8.82869683 _cell_length_c 8.82869683 _cell_angle_alpha 17.66546539 _cell_angle_beta 17.66546539 _cell_angle_gamma 17.66546539 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoMoRh2 _chemical_formula_sum 'Co1 Mo1 Rh2' _cell_volume 55.31541432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 -0.00000000 -0.00000000 13.03322250 1 Rh Rh2 1 0.00000000 0.00000000 19.47117799 1 Rh Rh3 1 -0.00000000 0.00000000 6.59526701 1 [/CIF]
CoMoRh2
R-3m
166
trigonal
-3m
10,828.146454
false
[CIF] data_CaDy2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17126498 _cell_length_b 5.17126498 _cell_length_c 5.17126498 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaDy2Pt _chemical_formula_sum 'Ca1 Dy2 Pt1' _cell_volume 97.78570681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Dy Dy1 1 1.82831827 1.82831827 1.82831827 1 Dy Dy2 1 5.48495481 5.48495481 5.48495481 1 Pt Pt3 1 3.65663654 3.65663654 3.65663654 1 [/CIF]
CaDy2Pt
Fm-3m
225
cubic
m-3m
9,512.339942
false
[CIF] data_ZrTiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11753496 _cell_length_b 5.11753496 _cell_length_c 5.11753496 _cell_angle_alpha 134.01397306 _cell_angle_beta 134.01397306 _cell_angle_gamma 67.06618447 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiPt2 _chemical_formula_sum 'Zr1 Ti1 Pt2' _cell_volume 68.18508260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 4.26580776 1 Pt Pt1 1 0.00000000 1.99900578 2.13290388 1 Ti Ti2 1 0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 1.99900578 -0.00000000 2.13290388 1 [/CIF]
Pt2TiZr
I-4m2
119
tetragonal
-42m
12,889.259825
false
[CIF] data_MnAl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70589303 _cell_length_b 4.22708315 _cell_length_c 5.35234243 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.28425286 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAl2Au _chemical_formula_sum 'Mn1 Al2 Au1' _cell_volume 59.32756742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.91190420 2.11354158 4.91132906 1 Al Al1 1 2.18166039 0.00000000 1.37852925 1 Au Au2 1 0.81957171 2.11354158 2.39328519 1 Mn Mn3 1 -0.44989820 0.00000000 4.28402442 1 [/CIF]
Al2AuMn
Pm
6
monoclinic
m
8,561.032797
false
[CIF] data_YSn3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37189425 _cell_length_b 5.37189425 _cell_length_c 5.37189425 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSn3Au _chemical_formula_sum 'Y1 Sn3 Au1' _cell_volume 155.01808371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 2.68594713 2.68594713 2.68594713 1 Sn Sn2 1 2.68594713 0.00000000 2.68594713 1 Sn Sn3 1 2.68594713 2.68594713 0.00000000 1 Sn Sn4 1 0.00000000 2.68594713 2.68594713 1 [/CIF]
AuSn3Y
Pm-3m
221
cubic
m-3m
6,877.069256
false
[CIF] data_Mg2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77142838 _cell_length_b 3.85327522 _cell_length_c 6.51437016 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.61105289 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AsPb _chemical_formula_sum 'Mg2 As1 Pb1' _cell_volume 93.05026057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.38088350 1.92663761 1.39653915 1 Mg Mg2 1 1.19098247 1.92663761 5.00643427 1 Pb Pb3 1 -0.59978120 0.00000000 3.20148671 1 [/CIF]
AsMg2Pb
P2/m
10
monoclinic
2/m
5,902.108592
false
[CIF] data_OsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61564442 _cell_length_b 3.61564442 _cell_length_c 3.61564442 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPt _chemical_formula_sum 'Os1 Pt1' _cell_volume 33.42274713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 2.55664669 2.55664669 2.55664669 1 [/CIF]
OsPt
Fm-3m
225
cubic
m-3m
19,143.51766
false
[CIF] data_PrZrCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81412380 _cell_length_b 4.81412380 _cell_length_c 4.81412380 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrZrCu2 _chemical_formula_sum 'Pr1 Zr1 Cu2' _cell_volume 78.89269028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.10614938 5.10614938 5.10614938 1 Cu Cu1 1 1.70204979 1.70204979 1.70204979 1 Pr Pr2 1 3.40409959 3.40409959 3.40409959 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2PrZr
Fm-3m
225
cubic
m-3m
7,560.965438
false
[CIF] data_Sr(SbO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30620536 _cell_length_b 5.30620536 _cell_length_c 5.29262500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr(SbO3)2 _chemical_formula_sum 'Sr1 Sb2 O6' _cell_volume 129.05352272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 2.00055289 0.00000000 1.52434121 1 O O1 1 1.65282623 2.86277901 1.52434121 1 O O2 1 -1.00027645 1.73252963 1.52434121 1 O O3 1 -1.65282623 2.86277901 3.76828380 1 O O4 1 1.00027645 1.73252963 3.76828380 1 O O5 1 3.30565247 0.00000000 3.76828380 1 Sb Sb6 1 2.65310268 1.53176955 2.64631250 1 Sb Sb7 1 0.00000000 3.06353909 2.64631250 1 Sr Sr8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O6Sb2Sr
P-31m
162
trigonal
-3m
5,496.043979
false
[CIF] data_LiTa2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63746479 _cell_length_b 4.63746479 _cell_length_c 4.63746479 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTa2Cd _chemical_formula_sum 'Li1 Ta2 Cd1' _cell_volume 70.52236655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.27918280 3.27918280 3.27918280 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.63959140 1.63959140 1.63959140 1 Ta Ta3 1 4.91877420 4.91877420 4.91877420 1 [/CIF]
CdLiTa2
Fm-3m
225
cubic
m-3m
11,331.592305
false
[CIF] data_FeSnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79707027 _cell_length_b 4.79707027 _cell_length_c 4.79707027 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSnSb _chemical_formula_sum 'Fe1 Sn1 Sb1' _cell_volume 78.05724948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 3.39204092 3.39204092 3.39204092 1 Sn Sn2 1 1.69602046 1.69602046 1.69602046 1 [/CIF]
FeSbSn
F-43m
216
cubic
-43m
6,303.612243
false
[CIF] data_HfZnInPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67037709 _cell_length_b 4.67037709 _cell_length_c 4.67037709 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnInPt _chemical_formula_sum 'Hf1 Zn1 In1 Pt1' _cell_volume 72.03454935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.95368297 4.95368297 4.95368297 1 In In1 1 3.30245531 3.30245531 3.30245531 1 Pt Pt2 1 1.65122766 1.65122766 1.65122766 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfInPtZn
F-43m
216
cubic
-43m
12,765.54165
false
[CIF] data_Ta2MnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75340079 _cell_length_b 3.85528757 _cell_length_c 4.17750159 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2MnSi _chemical_formula_sum 'Ta2 Mn1 Si1' _cell_volume 60.45028365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87670039 0.00000000 2.08875080 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 0.00000000 1.92764379 2.08875080 1 Ta Ta3 1 1.87670039 1.92764379 0.00000000 1 [/CIF]
MnSiTa2
Pmmm
47
orthorhombic
mmm
12,221.710848
false