Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_OsPdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78208301 _cell_length_b 3.93654285 _cell_length_c 5.54439311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPdPt2 _chemical_formula_sum 'Os1 Pd1 Pt2' _cell_volume 60.72102337 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77219656 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.39104151 1.96827142 1.43192263 1 Pt Pt3 1 1.39104151 1.96827142 4.11247048 1 [/CIF]
OsPdPt2
Pmmm
47
orthorhombic
mmm
18,782.425878
false
[CIF] data_TlAgPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67383886 _cell_length_b 4.67383886 _cell_length_c 4.67383886 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAgPtW _chemical_formula_sum 'Tl1 Ag1 Pt1 W1' _cell_volume 72.19484807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 3.30490315 3.30490315 3.30490315 1 Tl Tl2 1 1.65245158 1.65245157 1.65245158 1 W W3 1 4.95735473 4.95735473 4.95735473 1 [/CIF]
AgPtTlW
F-43m
216
cubic
-43m
15,897.587575
false
[CIF] data_YIn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46048778 _cell_length_b 4.63990658 _cell_length_c 5.87916663 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.52876801 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YIn2Cu _chemical_formula_sum 'Y1 In2 Cu1' _cell_volume 94.10317059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.31402852 0.00000000 4.29102661 1 In In1 1 -0.18955216 2.31995329 5.76696777 1 In In2 1 3.06589564 0.00000000 1.54199924 1 Y Y3 1 1.46787462 2.31995329 3.05203333 1 [/CIF]
CuIn2Y
Pm
6
monoclinic
m
6,742.299944
false
[CIF] data_ZnCu2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63028243 _cell_length_b 4.63028243 _cell_length_c 4.87830308 _cell_angle_alpha 99.89347316 _cell_angle_beta 99.89347316 _cell_angle_gamma 31.89844234 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu2Mo _chemical_formula_sum 'Zn1 Cu2 Mo1' _cell_volume 54.37659270 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.90044095 0.00000000 0.01332967 1 Cu Cu1 1 1.61706420 0.00000000 3.61583143 1 Mo Mo2 1 4.01179312 0.00000000 2.44472550 1 Zn Zn3 1 6.42331698 -0.00000000 1.12578916 1 [/CIF]
Cu2MoZn
Cm
8
monoclinic
m
8,808.065755
false
[CIF] data_Lu2PaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27768856 _cell_length_b 5.27768856 _cell_length_c 5.27768856 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2PaIn _chemical_formula_sum 'Lu2 Pa1 In1' _cell_volume 103.94803335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Lu Lu1 1 5.59783405 5.59783405 5.59783405 1 Lu Lu2 1 1.86594468 1.86594468 1.86594468 1 Pa Pa3 1 3.73188937 3.73188937 3.73188937 1 [/CIF]
InLu2Pa
Fm-3m
225
cubic
m-3m
11,114.999056
false
[CIF] data_Ti2NiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04176560 _cell_length_b 3.04176560 _cell_length_c 7.67643804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2NiPb _chemical_formula_sum 'Ti2 Ni1 Pb1' _cell_volume 71.02499912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 3.83821902 1 Ti Ti2 1 1.52088280 1.52088280 6.15175059 1 Ti Ti3 1 1.52088280 1.52088280 1.52468745 1 [/CIF]
NiPbTi2
P4/mmm
123
tetragonal
4/mmm
8,454.719222
false
[CIF] data_BaSrCa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36301400 _cell_length_b 7.36301400 _cell_length_c 7.36301400 _cell_angle_alpha 146.35136570 _cell_angle_beta 132.32315385 _cell_angle_gamma 59.61801427 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrCa _chemical_formula_sum 'Ba1 Sr1 Ca1' _cell_volume 162.06819640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.74515807 1 Ca Ca1 1 -0.00000000 -0.00000000 4.23955518 1 Sr Sr2 1 0.00000000 -0.00000000 8.57046206 1 [/CIF]
BaCaSr
Imm2
44
orthorhombic
mm2
2,715.42706
false
[CIF] data_NaMgAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95281178 _cell_length_b 4.95281178 _cell_length_c 4.95281178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgAu3 _chemical_formula_sum 'Na1 Mg1 Au3' _cell_volume 121.49417935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 2.47640589 2.47640589 2.47640589 1 Au Au2 1 0.00000000 2.47640589 0.00000000 1 Au Au3 1 0.00000000 0.00000000 2.47640589 1 Au Au4 1 2.47640589 0.00000000 0.00000000 1 [/CIF]
Au3MgNa
Pm-3m
221
cubic
m-3m
8,722.614249
false
[CIF] data_KAl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04093852 _cell_length_b 4.76380195 _cell_length_c 5.24723743 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2Ir _chemical_formula_sum 'K1 Al2 Ir1' _cell_volume 76.01373170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.52046926 0.00000000 2.62361872 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 0.00000000 2.38190098 2.62361872 1 K K3 1 1.52046926 2.38190098 0.00000000 1 [/CIF]
Al2IrK
Pmmm
47
orthorhombic
mmm
6,231.977823
false
[CIF] data_CaInOsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75091500 _cell_length_b 4.75091500 _cell_length_c 4.75091500 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaInOsPd _chemical_formula_sum 'Ca1 In1 Os1 Pd1' _cell_volume 75.82576177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.03910632 5.03910632 5.03910632 1 Os Os2 1 3.35940421 3.35940421 3.35940421 1 Pd Pd3 1 1.67970211 1.67970211 1.67970211 1 [/CIF]
CaInOsPd
F-43m
216
cubic
-43m
9,888.588731
false
[CIF] data_FeBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54185014 _cell_length_b 6.54185014 _cell_length_c 7.15965447 _cell_angle_alpha 109.65733597 _cell_angle_beta 109.65733597 _cell_angle_gamma 31.22187643 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBi2 _chemical_formula_sum 'Fe2 Bi4' _cell_volume 148.82219246 _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 Bi Bi0 1 0.75080094 -0.00000000 4.97811427 1 Bi Bi1 1 6.03449038 -0.00000000 1.67063102 1 Bi Bi2 1 4.06585406 -0.00000000 5.03810073 1 Bi Bi3 1 9.34954350 -0.00000000 1.73061748 1 Fe Fe4 1 8.80645939 -0.00000000 6.50197767 1 Fe Fe5 1 1.29388506 -0.00000000 0.20675409 1 [/CIF]
Bi4Fe2
C2/m
12
monoclinic
2/m
10,573.329527
false
[CIF] data_LiVPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72940635 _cell_length_b 4.72940635 _cell_length_c 4.72940635 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVPbAu _chemical_formula_sum 'Li1 V1 Pb1 Au1' _cell_volume 74.80056739 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67209765 1.67209765 1.67209765 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.34419530 3.34419530 3.34419530 1 V V3 1 5.01629295 5.01629295 5.01629295 1 [/CIF]
AuLiPbV
F-43m
216
cubic
-43m
10,257.282217
false
[CIF] data_TiMnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89408094 _cell_length_b 4.89408094 _cell_length_c 4.89408094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnTe2 _chemical_formula_sum 'Ti1 Mn1 Te2' _cell_volume 82.88929480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46063782 3.46063782 3.46063782 1 Te Te1 1 5.19095673 5.19095673 5.19095673 1 Te Te2 1 1.73031891 1.73031891 1.73031891 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnTe2Ti
Fm-3m
225
cubic
m-3m
7,171.992049
false
[CIF] data_Cd2BAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04629278 _cell_length_b 3.04629278 _cell_length_c 7.37814808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2BAu _chemical_formula_sum 'Cd2 B1 Au1' _cell_volume 68.46847417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.68907404 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 1.52314639 1.52314639 1.54441476 1 Cd Cd3 1 1.52314639 1.52314639 5.83373332 1 [/CIF]
AuBCd2
P4/mmm
123
tetragonal
4/mmm
10,491.667783
false
[CIF] data_VTcOsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34309563 _cell_length_b 4.34309563 _cell_length_c 4.34309563 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTcOsPd _chemical_formula_sum 'V1 Tc1 Os1 Pd1' _cell_volume 57.92728554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53551618 1.53551618 1.53551618 1 Pd Pd1 1 3.07103237 3.07103237 3.07103237 1 Tc Tc2 1 4.60654855 4.60654855 4.60654855 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsPdTcV
F-43m
216
cubic
-43m
12,799.268378
false
[CIF] data_TlReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43065130 _cell_length_b 4.43065130 _cell_length_c 4.43065130 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlReMo _chemical_formula_sum 'Tl1 Re1 Mo1' _cell_volume 61.50178453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 3.13294358 3.13294358 3.13294358 1 Tl Tl2 1 4.69941537 4.69941537 4.69941537 1 [/CIF]
MoReTl
F-43m
216
cubic
-43m
13,136.785985
false
[CIF] data_Zr2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11448979 _cell_length_b 6.11448979 _cell_length_c 6.60751550 _cell_angle_alpha 105.07146532 _cell_angle_beta 105.07146532 _cell_angle_gamma 30.18141751 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Cr _chemical_formula_sum 'Zr4 Cr2' _cell_volume 119.60575291 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.55754675 -0.00000000 6.16745037 1 Cr Cr1 1 7.47023904 -0.00000000 0.19593923 1 Zr Zr2 1 10.23641640 -0.00000000 4.66004285 1 Zr Zr3 1 -0.20863061 -0.00000000 1.70334675 1 Zr Zr4 1 2.94958463 -0.00000000 2.15340569 1 Zr Zr5 1 7.07820116 -0.00000000 4.20998391 1 [/CIF]
Cr2Zr4
C2/m
12
monoclinic
2/m
6,509.780299
false
[CIF] data_PPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38839939 _cell_length_b 5.38839939 _cell_length_c 5.38839939 _cell_angle_alpha 148.32076139 _cell_angle_beta 148.32076139 _cell_angle_gamma 45.41207965 _symmetry_Int_Tables_number 1 _chemical_formula_structural PPtRh _chemical_formula_sum 'P1 Pt1 Rh1' _cell_volume 43.00871772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 -0.00000000 0.10444642 1 Pt Pt1 1 0.00000000 -0.00000000 3.50502975 1 Rh Rh2 1 0.00000000 0.00000000 6.33209273 1 [/CIF]
PPtRh
I4mm
107
tetragonal
4mm
12,701.061017
false
[CIF] data_KCaLaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40646164 _cell_length_b 5.40646164 _cell_length_c 5.40646164 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaLaPt _chemical_formula_sum 'K1 Ca1 La1 Pt1' _cell_volume 111.74404305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91147285 1.91147285 1.91147285 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 La La2 1 5.73441854 5.73441854 5.73441854 1 Pt Pt3 1 3.82294569 3.82294569 3.82294569 1 [/CIF]
CaKLaPt
F-43m
216
cubic
-43m
6,139.726856
false
[CIF] data_Li2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78827504 _cell_length_b 4.78827504 _cell_length_c 4.70475552 _cell_angle_alpha 99.22917927 _cell_angle_beta 99.22917927 _cell_angle_gamma 33.72468380 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CuAu _chemical_formula_sum 'Li2 Cu1 Au1' _cell_volume 59.04195723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.23265248 -0.00000000 2.31480378 1 Cu Cu1 1 1.66785170 0.00000000 3.47953155 1 Li Li2 1 8.29809081 0.00000000 4.58320811 1 Li Li3 1 6.74223849 -0.00000000 1.21799540 1 [/CIF]
AuCuLi2
Cm
8
monoclinic
m
7,717.272984
false
[CIF] data_MgSiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06054913 _cell_length_b 3.06054913 _cell_length_c 6.38267230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSiTc2 _chemical_formula_sum 'Mg1 Si1 Tc2' _cell_volume 59.78624236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 0.00000000 0.00000000 3.19133615 1 Tc Tc2 1 1.53027457 1.53027457 4.49132502 1 Tc Tc3 1 1.53027457 1.53027457 1.89134728 1 [/CIF]
MgSiTc2
P4/mmm
123
tetragonal
4/mmm
6,949.30692
false
[CIF] data_K2LaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45834713 _cell_length_b 7.45834713 _cell_length_c 7.45834713 _cell_angle_alpha 141.18841463 _cell_angle_beta 141.18841463 _cell_angle_gamma 56.05322713 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LaIn _chemical_formula_sum 'K2 La1 In1' _cell_volume 161.71947604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 0.00000000 2.47808425 3.29185126 1 K K2 1 2.47808425 -0.00000000 3.29185126 1 La La3 1 0.00000000 0.00000000 6.58370252 1 [/CIF]
InK2La
I4/mmm
139
tetragonal
4/mmm
3,408.162435
false
[CIF] data_SrSnCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00109976 _cell_length_b 7.00109976 _cell_length_c 7.00109976 _cell_angle_alpha 144.75509492 _cell_angle_beta 144.75509492 _cell_angle_gamma 50.69963910 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSnCl2 _chemical_formula_sum 'Sr1 Sn1 Cl2' _cell_volume 113.69399472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11953671 3.16348408 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 2.11953671 -0.00000000 3.16348408 1 Sr Sr3 1 0.00000000 0.00000000 6.32696816 1 [/CIF]
Cl2SnSr
I-4m2
119
tetragonal
-42m
4,049.125108
false
[CIF] data_HfTaCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84383549 _cell_length_b 4.84383549 _cell_length_c 4.84383549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaCd2 _chemical_formula_sum 'Hf1 Ta1 Cd2' _cell_volume 80.36244769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.13766338 5.13766338 5.13766338 1 Cd Cd1 1 1.71255446 1.71255446 1.71255446 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.42510892 3.42510892 3.42510892 1 [/CIF]
Cd2HfTa
Fm-3m
225
cubic
m-3m
12,072.633222
false
[CIF] data_TiTc2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64222709 _cell_length_b 2.64222709 _cell_length_c 8.99201774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTc2Ag _chemical_formula_sum 'Ti1 Tc2 Ag1' _cell_volume 62.77654889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.49600887 1 Tc Tc1 1 1.32111355 1.32111355 6.80702559 1 Tc Tc2 1 1.32111355 1.32111355 2.18499215 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgTc2Ti
P4/mmm
123
tetragonal
4/mmm
9,351.893534
false
[CIF] data_CrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60160689 _cell_length_b 2.60160689 _cell_length_c 4.35150472 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAg _chemical_formula_sum 'Cr1 Ag1' _cell_volume 29.45254360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.30080345 1.30080345 2.17575236 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Cr2
P4/mmm
123
tetragonal
4/mmm
9,013.174518
false
[CIF] data_LaFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94285816 _cell_length_b 4.94285816 _cell_length_c 4.94285816 _cell_angle_alpha 131.83256738 _cell_angle_beta 131.83256738 _cell_angle_gamma 70.49359739 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFe3 _chemical_formula_sum 'La1 Fe3' _cell_volume 65.69231260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 2.01703713 2.01835138 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 2.01703713 -0.00000000 2.01835138 1 La La3 1 0.00000000 -0.00000000 4.03670276 1 [/CIF]
Fe3La
I4/mmm
139
tetragonal
4/mmm
7,746.056607
false
[CIF] data_TcGeMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18526512 _cell_length_b 5.18526512 _cell_length_c 5.18526512 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcGeMo4 _chemical_formula_sum 'Tc1 Ge1 Mo4' _cell_volume 98.58206301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 2.74027847 4.59279379 2.74027847 1 Mo Mo2 1 4.59279379 2.74027847 2.74027847 1 Mo Mo3 1 4.59279379 4.59279379 4.59279379 1 Mo Mo4 1 2.74027847 2.74027847 4.59279379 1 Tc Tc5 1 1.83326806 1.83326806 1.83326806 1 [/CIF]
GeMo4Tc
F-43m
216
cubic
-43m
9,355.053587
false
[CIF] data_Y4NiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95758845 _cell_length_b 5.95758845 _cell_length_c 5.95758845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4NiW _chemical_formula_sum 'Y4 Ni1 W1' _cell_volume 149.51903933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 2.10632559 2.10632559 2.10632559 1 Y Y2 1 3.16452088 3.16452088 5.26078150 1 Y Y3 1 3.16452088 5.26078150 3.16452088 1 Y Y4 1 5.26078150 3.16452088 3.16452088 1 Y Y5 1 5.26078150 5.26078150 5.26078150 1 [/CIF]
NiWY4
F-43m
216
cubic
-43m
6,643.051874
false
[CIF] data_LiAlPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39010162 _cell_length_b 4.39010162 _cell_length_c 2.89374731 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.37966291 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlPt2 _chemical_formula_sum 'Li1 Al1 Pt2' _cell_volume 55.30920658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.89805968 -0.00000000 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.44902984 1.64880580 1.44687365 1 Pt Pt3 1 1.44902984 -1.64880581 1.44687365 1 [/CIF]
AlLiPt2
Cmmm
65
orthorhombic
mmm
12,732.399372
false
[CIF] data_RbTeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78405056 _cell_length_b 4.78405056 _cell_length_c 10.69473071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbTeAu _chemical_formula_sum 'Rb2 Te2 Au2' _cell_volume 211.97859394 _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 Rb Rb0 1 0.00000000 0.00000000 5.34736535 1 Rb Rb1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.76207288 2.67368268 1 Te Te3 1 2.39202528 1.38103644 8.02104803 1 Au Au4 1 0.00000000 2.76207288 8.02104803 1 Au Au5 1 2.39202528 1.38103644 2.67368268 1 [/CIF]
Au2Rb2Te2
P6_3/mmc
194
hexagonal
6/mmm
6,424.026838
false
[CIF] data_SrAlIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79134956 _cell_length_b 3.79134956 _cell_length_c 7.56146174 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAlIn2 _chemical_formula_sum 'Sr1 Al1 In2' _cell_volume 108.69095757 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.89567478 1.89567478 1.50760311 1 In In2 1 1.89567478 1.89567478 6.05385863 1 Sr Sr3 1 0.00000000 0.00000000 3.78073087 1 [/CIF]
AlIn2Sr
P4/mmm
123
tetragonal
4/mmm
5,259.130049
false
[CIF] data_CaSb2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57881379 _cell_length_b 4.57881379 _cell_length_c 4.19084396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSb2Rh _chemical_formula_sum 'Ca1 Sb2 Rh1' _cell_volume 87.86328890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.28940690 2.28940690 0.00000000 1 Sb Sb2 1 2.28940690 0.00000000 2.09542198 1 Sb Sb3 1 0.00000000 2.28940690 2.09542198 1 [/CIF]
CaRhSb2
P4/mmm
123
tetragonal
4/mmm
7,304.579534
false
[CIF] data_BaScOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41983016 _cell_length_b 7.41983016 _cell_length_c 7.41983016 _cell_angle_alpha 153.24462772 _cell_angle_beta 153.24462772 _cell_angle_gamma 38.19846385 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScOs _chemical_formula_sum 'Ba1 Sc1 Os1' _cell_volume 82.65377828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.57869513 1 Os Os1 1 -0.00000000 0.00000000 4.34989260 1 Sc Sc2 1 0.00000000 -0.00000000 10.11698405 1 [/CIF]
BaOsSc
I4mm
107
tetragonal
4mm
7,484.022166
false
[CIF] data_LaSiSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20245173 _cell_length_b 6.20245173 _cell_length_c 6.20245173 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSiSb4 _chemical_formula_sum 'La1 Si1 Sb4' _cell_volume 168.72334699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19289784 2.19289784 2.19289784 1 Sb Sb1 1 3.28245562 3.28245562 5.48913574 1 Sb Sb2 1 3.28245562 5.48913574 3.28245562 1 Sb Sb3 1 5.48913574 3.28245562 3.28245562 1 Sb Sb4 1 5.48913574 5.48913574 5.48913574 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaSb4Si
F-43m
216
cubic
-43m
6,436.832814
false
[CIF] data_LuU3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02780014 _cell_length_b 5.02780014 _cell_length_c 5.02780014 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuU3 _chemical_formula_sum 'Lu1 U3' _cell_volume 89.87088493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 0.00000000 0.00000000 0.00000000 1 U U1 1 1.77759579 1.77759579 1.77759579 1 U U2 1 3.55519157 3.55519157 3.55519157 1 U U3 1 5.33278736 5.33278735 5.33278735 1 [/CIF]
LuU3
Fm-3m
225
cubic
m-3m
16,426.989898
false
[CIF] data_HfSc2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97546473 _cell_length_b 4.97546473 _cell_length_c 4.97546473 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc2Sb _chemical_formula_sum 'Hf1 Sc2 Sb1' _cell_volume 87.09354297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51818485 3.51818485 3.51818485 1 Sb Sb1 1 0.00000000 -0.00000000 0.00000000 1 Sc Sc2 1 5.27727728 5.27727728 5.27727728 1 Sc Sc3 1 1.75909243 1.75909243 1.75909243 1 [/CIF]
HfSbSc2
Fm-3m
225
cubic
m-3m
7,438.886156
false
[CIF] data_LiCrCdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39406080 _cell_length_b 4.39406080 _cell_length_c 4.39406080 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrCdTc _chemical_formula_sum 'Li1 Cr1 Cd1 Tc1' _cell_volume 59.99059763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10707019 3.10707019 3.10707019 1 Cr Cr1 1 1.55353510 1.55353510 1.55353510 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 4.66060529 4.66060529 4.66060529 1 [/CIF]
CdCrLiTc
F-43m
216
cubic
-43m
7,480.635979
false
[CIF] data_Li2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38851294 _cell_length_b 3.38851294 _cell_length_c 5.22264699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2PtSe _chemical_formula_sum 'Li2 Pt1 Se1' _cell_volume 59.96653690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69425647 1.69425647 1.29574692 1 Li Li1 1 1.69425647 1.69425647 3.92690007 1 Pt Pt2 1 0.00000000 0.00000000 2.61132350 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2PtSe
P4/mmm
123
tetragonal
4/mmm
7,972.986202
false
[CIF] data_CaNbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93739939 _cell_length_b 4.93739939 _cell_length_c 3.00568957 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbAl _chemical_formula_sum 'Ca1 Nb1 Al1' _cell_volume 63.45579268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 2.79640566 1 Ca Ca1 1 0.00000000 2.85060887 1.02643953 1 Nb Nb2 1 2.46869969 1.42530443 2.18853395 1 [/CIF]
AlCaNb
P3m1
156
trigonal
3m
4,186.058454
false
[CIF] data_SrYAlRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11132379 _cell_length_b 5.11132379 _cell_length_c 5.11132379 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYAlRu _chemical_formula_sum 'Sr1 Y1 Al1 Ru1' _cell_volume 94.42460596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 3.61425171 3.61425171 3.61425171 1 Sr Sr2 1 1.80712585 1.80712585 1.80712586 1 Y Y3 1 5.42137757 5.42137757 5.42137757 1 [/CIF]
AlRuSrY
F-43m
216
cubic
-43m
5,356.259075
false
[CIF] data_Na2InCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49604938 _cell_length_b 4.66486425 _cell_length_c 6.18283565 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.95999168 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2InCu _chemical_formula_sum 'Na2 In1 Cu1' _cell_volume 97.41575319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.31821694 0.00000000 3.11046253 1 In In1 1 0.30485348 2.33243212 4.35754267 1 Na Na2 1 -1.44082171 0.00000000 5.74525028 1 Na Na3 1 2.07166279 2.33243212 1.71993600 1 [/CIF]
CuInNa2
Pm
6
monoclinic
m
3,824.137246
false
[CIF] data_CaCd3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07705479 _cell_length_b 6.07705479 _cell_length_c 6.07705479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCd3Au _chemical_formula_sum 'Ca1 Cd3 Au1' _cell_volume 224.42924876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 3.03852740 3.03852740 3.03852740 1 Cd Cd2 1 0.00000000 3.03852740 0.00000000 1 Cd Cd3 1 0.00000000 0.00000000 3.03852740 1 Cd Cd4 1 3.03852740 0.00000000 0.00000000 1 [/CIF]
AuCaCd3
Pm-3m
221
cubic
m-3m
4,249.046609
false
[CIF] data_TaTi2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15571994 _cell_length_b 5.15571994 _cell_length_c 5.15571994 _cell_angle_alpha 132.03443880 _cell_angle_beta 132.03443880 _cell_angle_gamma 70.17463999 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi2In _chemical_formula_sum 'Ta1 Ti2 In1' _cell_volume 74.10855034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 0.00000000 4.21880679 1 Ti Ti2 1 0.00000000 2.09560461 2.10940340 1 Ti Ti3 1 2.09560461 0.00000000 2.10940339 1 [/CIF]
InTaTi2
I4/mmm
139
tetragonal
4/mmm
8,772.278534
false
[CIF] data_Sc2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25329606 _cell_length_b 3.25329606 _cell_length_c 8.35214329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2InAg _chemical_formula_sum 'Sc2 In1 Ag1' _cell_volume 88.39854358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.18046337 1 In In1 1 1.62664803 1.62664803 6.11330852 1 Sc Sc2 1 0.00000000 0.00000000 8.30007770 1 Sc Sc3 1 1.62664803 1.62664803 2.28650864 1 [/CIF]
AgInSc2
P4mm
99
tetragonal
4mm
5,872.056648
false
[CIF] data_GaCuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35238054 _cell_length_b 5.35238054 _cell_length_c 5.35238054 _cell_angle_alpha 141.11530669 _cell_angle_beta 112.93289350 _cell_angle_gamma 80.32474708 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCuCl2 _chemical_formula_sum 'Ga1 Cu1 Cl2' _cell_volume 86.18901340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.78158357 0.00000000 1.58445813 1 Cl Cl1 1 -0.00000000 2.95679003 2.50593673 1 Cu Cu2 1 -0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 -0.00000000 -0.00000000 4.09039486 1 [/CIF]
Cl2CuGa
Immm
71
orthorhombic
mmm
3,933.686564
false
[CIF] data_MgSi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83009392 _cell_length_b 4.06176795 _cell_length_c 4.38095045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2Ge _chemical_formula_sum 'Mg1 Si2 Ge1' _cell_volume 68.15423906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91504696 2.03088397 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 0.00000000 2.03088397 2.19047522 1 Si Si3 1 1.91504696 0.00000000 2.19047522 1 [/CIF]
GeMgSi2
Pmmm
47
orthorhombic
mmm
3,730.583794
false
[CIF] data_Ni2BiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27020009 _cell_length_b 3.27020009 _cell_length_c 6.81357490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2BiBr _chemical_formula_sum 'Ni2 Bi1 Br1' _cell_volume 72.86579149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63510005 1.63510005 3.52964023 1 Br Br1 1 0.00000000 0.00000000 5.00914744 1 Ni Ni2 1 1.63510005 1.63510005 6.76969950 1 Ni Ni3 1 0.00000000 0.00000000 1.72545008 1 [/CIF]
BiBrNi2
P4mm
99
tetragonal
4mm
9,258.517412
false
[CIF] data_KBeCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72086938 _cell_length_b 4.72086938 _cell_length_c 4.72086938 _cell_angle_alpha 120.99460217 _cell_angle_beta 120.99460217 _cell_angle_gamma 88.28576176 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBeCu2 _chemical_formula_sum 'K1 Be1 Cu2' _cell_volume 73.24222368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.32486085 0.00000000 1.69386037 1 Cu Cu2 1 0.00000000 2.32486085 1.69386037 1 K K3 1 0.00000000 0.00000000 3.38772073 1 [/CIF]
BeCu2K
I4/mmm
139
tetragonal
4/mmm
3,972.170031
false
[CIF] data_Sc2AsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84445441 _cell_length_b 4.84445441 _cell_length_c 4.73167076 _cell_angle_alpha 107.44340287 _cell_angle_beta 107.44340287 _cell_angle_gamma 43.77196198 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2AsW _chemical_formula_sum 'Sc2 As1 W1' _cell_volume 72.70185257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 1.16922516 -0.00000000 3.41341303 1 Sc Sc2 1 6.29283080 0.00000000 1.06456046 1 W W3 1 3.73102798 -0.00000000 2.23898675 1 [/CIF]
AsSc2W
C2/m
12
monoclinic
2/m
7,963.838906
false
[CIF] data_SnMoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03659227 _cell_length_b 5.03659227 _cell_length_c 5.03659227 _cell_angle_alpha 132.91913898 _cell_angle_beta 132.91913898 _cell_angle_gamma 68.78116373 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMoPt2 _chemical_formula_sum 'Sn1 Mo1 Pt2' _cell_volume 67.27296279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 2.01159526 2.07811397 1 Pt Pt2 1 2.01159525 0.00000000 2.07811398 1 Sn Sn3 1 0.00000000 0.00000000 4.15622795 1 [/CIF]
MoPt2Sn
I4/mmm
139
tetragonal
4/mmm
14,930.275916
false
[CIF] data_Mo2WCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12462424 _cell_length_b 5.12462424 _cell_length_c 2.84082939 _cell_angle_alpha 100.10480881 _cell_angle_beta 100.10480881 _cell_angle_gamma 114.62256997 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2WCl _chemical_formula_sum 'Mo2 W1 Cl1' _cell_volume 64.14299207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.92240177 2.15648588 1.34337375 1 Mo Mo2 1 0.92240177 -2.15648588 1.34337375 1 W W3 1 2.76767921 0.00000000 0.00000000 1 [/CIF]
ClMo2W
C2/m
12
monoclinic
2/m
10,645.516044
false
[CIF] data_HfZrVBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86414683 _cell_length_b 4.86414683 _cell_length_c 4.86414683 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrVBi _chemical_formula_sum 'Hf1 Zr1 V1 Bi1' _cell_volume 81.37762883 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71973560 1.71973560 1.71973560 1 Hf Hf1 1 3.43947121 3.43947121 3.43947121 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 5.15920682 5.15920681 5.15920681 1 [/CIF]
BiHfVZr
F-43m
216
cubic
-43m
10,807.406355
false
[CIF] data_ScGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03238524 _cell_length_b 3.03238524 _cell_length_c 7.13554197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGaTc2 _chemical_formula_sum 'Sc1 Ga1 Tc2' _cell_volume 65.61387895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51619262 1.51619262 3.36035948 1 Sc Sc1 1 0.00000000 0.00000000 5.40625536 1 Tc Tc2 1 1.51619262 1.51619262 0.23576937 1 Tc Tc3 1 0.00000000 0.00000000 1.70092875 1 [/CIF]
GaScTc2
P4mm
99
tetragonal
4mm
7,908.449247
false
[CIF] data_HfN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20887928 _cell_length_b 3.20887928 _cell_length_c 3.20887928 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfN _chemical_formula_sum 'Hf1 N1' _cell_volume 23.36388929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26902030 2.26902030 2.26902030 1 N N1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfN
Fm-3m
225
cubic
m-3m
13,681.296231
false
[CIF] data_TlBPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27048248 _cell_length_b 5.27048248 _cell_length_c 5.27048248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBPb2 _chemical_formula_sum 'Tl1 B1 Pb2' _cell_volume 103.52282709 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.86339695 1.86339695 1.86339695 1 Pb Pb2 1 5.59019085 5.59019085 5.59019085 1 Tl Tl3 1 3.72679390 3.72679390 3.72679390 1 [/CIF]
BPb2Tl
Fm-3m
225
cubic
m-3m
10,098.892782
false
[CIF] data_BaMgBeV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03979390 _cell_length_b 5.03979390 _cell_length_c 5.03979390 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgBeV _chemical_formula_sum 'Ba1 Mg1 Be1 V1' _cell_volume 90.51557839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.78183622 1.78183622 1.78183622 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 3.56367244 3.56367244 3.56367244 1 V V3 1 5.34550866 5.34550866 5.34550866 1 [/CIF]
BaBeMgV
F-43m
216
cubic
-43m
4,065.064689
false
[CIF] data_BeTePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98744090 _cell_length_b 3.98744090 _cell_length_c 3.81208626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTePd _chemical_formula_sum 'Be1 Te1 Pd1' _cell_volume 52.49064004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.60550305 1 Pd Pd1 1 0.00000000 2.30215007 0.66125150 1 Te Te2 1 1.99372045 1.15107504 2.54533175 1 [/CIF]
BePdTe
P3m1
156
trigonal
3m
7,688.312278
false
[CIF] data_Cu2NiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75226041 _cell_length_b 4.75226041 _cell_length_c 4.75226041 _cell_angle_alpha 131.76826529 _cell_angle_beta 130.05925959 _cell_angle_gamma 71.95890619 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2NiPb _chemical_formula_sum 'Cu2 Ni1 Pb1' _cell_volume 59.92089482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02603436 1 Cu Cu1 1 1.94169397 -0.00000000 1.91892449 1 Ni Ni2 1 0.00000000 0.00000000 3.82045928 1 Pb Pb3 1 -0.00000000 2.00616445 1.92590375 1 [/CIF]
Cu2NiPb
Imm2
44
orthorhombic
mm2
10,890.485052
false
[CIF] data_NaAlSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64655729 _cell_length_b 4.64655729 _cell_length_c 4.64655729 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlSnIr _chemical_formula_sum 'Na1 Al1 Sn1 Ir1' _cell_volume 70.93799202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28561217 3.28561217 3.28561217 1 Ir Ir1 1 1.64280608 1.64280609 1.64280608 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 4.92841825 4.92841825 4.92841825 1 [/CIF]
AlIrNaSn
F-43m
216
cubic
-43m
8,448.022311
false
[CIF] data_Cr2TeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30910897 _cell_length_b 4.30910897 _cell_length_c 3.18212185 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2TeW _chemical_formula_sum 'Cr2 Te1 W1' _cell_volume 59.08697537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15455448 0.00000000 1.59106093 1 Cr Cr1 1 0.00000000 2.15455448 1.59106093 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.15455448 2.15455448 0.00000000 1 [/CIF]
Cr2TeW
P4/mmm
123
tetragonal
4/mmm
11,675.01625
false
[CIF] data_EuNp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33835150 _cell_length_b 3.33835150 _cell_length_c 6.08964900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuNp _chemical_formula_sum 'Eu1 Np1' _cell_volume 58.77423923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 0.00000000 0.00000000 0.00000000 1 Np Np1 1 1.66917576 0.96369906 3.04482450 1 [/CIF]
EuNp
P-6m2
187
hexagonal
-6m2
10,989.365464
false
[CIF] data_ScInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52911403 _cell_length_b 4.52911403 _cell_length_c 4.52911403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInIr _chemical_formula_sum 'Sc1 In1 Ir1' _cell_volume 65.69385780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 4.80385086 4.80385086 4.80385086 1 Ir Ir1 1 1.60128362 1.60128362 1.60128362 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InIrSc
F-43m
216
cubic
-43m
8,897.249759
false
[CIF] data_NbSi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46996117 _cell_length_b 4.46996117 _cell_length_c 3.16124335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSi2Ag _chemical_formula_sum 'Nb1 Si2 Ag1' _cell_volume 63.16338986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23498059 2.23498059 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 0.00000000 2.23498059 1.58062168 1 Si Si3 1 2.23498059 0.00000000 1.58062168 1 [/CIF]
AgNbSi2
P4/mmm
123
tetragonal
4/mmm
6,754.991689
false
[CIF] data_Zr2TiAl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01347472 _cell_length_b 3.01347472 _cell_length_c 16.79090429 _cell_angle_alpha 95.07731712 _cell_angle_beta 95.07731712 _cell_angle_gamma 58.58212456 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TiAl4 _chemical_formula_sum 'Zr2 Ti1 Al4' _cell_volume 129.45185736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -1.58712106 -0.00000000 15.64561404 1 Al Al1 1 -0.76428746 0.00000000 8.86526960 1 Al Al2 1 2.96913403 -0.00000000 4.04023633 1 Al Al3 1 2.11730189 -0.00000000 13.54574477 1 Ti Ti4 1 3.94233138 0.00000000 11.29776057 1 Zr Zr5 1 3.49420855 -0.00000000 1.42460799 1 Zr Zr6 1 1.10036498 0.00000000 6.45189378 1 [/CIF]
Al4TiZr2
Cm
8
monoclinic
m
4,338.776301
false
[CIF] data_ZrTiCrMoWC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.66950532 _cell_length_b 12.66950532 _cell_length_c 12.66950532 _cell_angle_alpha 14.17505821 _cell_angle_beta 14.17505821 _cell_angle_gamma 14.17505821 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiCrMoWC5 _chemical_formula_sum 'Zr1 Ti1 Cr1 Mo1 W1 C5' _cell_volume 106.15601227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 -0.00000000 37.36546090 1 C C1 1 0.00000000 -0.00000000 22.61381298 1 C C2 1 0.00000000 0.00000000 7.61611163 1 C C3 1 0.00000000 0.00000000 30.14609799 1 C C4 1 0.00000000 0.00000000 15.12881616 1 Cr Cr5 1 0.00000000 -0.00000000 11.17293721 1 Mo Mo6 1 0.00000000 -0.00000000 18.82965670 1 Ti Ti7 1 -0.00000000 -0.00000000 3.82363213 1 W W8 1 0.00000000 0.00000000 33.97880388 1 Zr Zr9 1 -0.00000000 0.00000000 26.23894736 1 [/CIF]
C5CrMoTiWZr
R3m
160
trigonal
3m
8,305.206526
false
[CIF] data_HfBeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20253386 _cell_length_b 7.20253386 _cell_length_c 7.20253386 _cell_angle_alpha 154.50189804 _cell_angle_beta 154.50189804 _cell_angle_gamma 36.37051302 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeBr _chemical_formula_sum 'Hf1 Be1 Br1' _cell_volume 69.15036232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.68832692 1 Br Br1 1 0.00000000 -0.00000000 4.01067014 1 Hf Hf2 1 0.00000000 0.00000000 8.98657197 1 [/CIF]
BeBrHf
I4mm
107
tetragonal
4mm
6,421.346136
false
[CIF] data_NbPd2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20548553 _cell_length_b 3.90042268 _cell_length_c 5.38808837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPd2Se _chemical_formula_sum 'Nb1 Pd2 Se1' _cell_volume 67.36591358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.69404419 1 Pd Pd1 1 1.60274276 1.95021134 3.99716268 1 Pd Pd2 1 1.60274276 1.95021134 1.39092569 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbPd2Se
Pmmm
47
orthorhombic
mmm
9,482.836931
false
[CIF] data_KZnPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78312288 _cell_length_b 4.78312288 _cell_length_c 4.78312288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnPt3 _chemical_formula_sum 'K1 Zn1 Pt3' _cell_volume 109.42955031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39156144 2.39156144 2.39156144 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 2.39156144 0.00000000 2.39156144 1 Pt Pt3 1 2.39156144 2.39156144 0.00000000 1 Pt Pt4 1 0.00000000 2.39156144 2.39156144 1 [/CIF]
KPt3Zn
Pm-3m
221
cubic
m-3m
10,466.314677
false
[CIF] data_TaCr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30402772 _cell_length_b 4.30402772 _cell_length_c 4.30402772 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCr2Rh _chemical_formula_sum 'Ta1 Cr2 Rh1' _cell_volume 56.37806715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52170360 1.52170360 1.52170360 1 Cr Cr1 1 4.56511078 4.56511078 4.56511078 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.04340719 3.04340719 3.04340719 1 [/CIF]
Cr2RhTa
Fm-3m
225
cubic
m-3m
11,423.462527
false
[CIF] data_NaSrNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81271807 _cell_length_b 4.81271807 _cell_length_c 4.81271807 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrNiOs _chemical_formula_sum 'Na1 Sr1 Ni1 Os1' _cell_volume 78.82359984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 3.40310558 3.40310558 3.40310558 1 Os Os2 1 1.70155279 1.70155279 1.70155279 1 Sr Sr3 1 5.10465837 5.10465837 5.10465837 1 [/CIF]
NaNiOsSr
F-43m
216
cubic
-43m
7,574.113267
false
[CIF] data_CaMnBeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95008538 _cell_length_b 4.95008538 _cell_length_c 4.95008538 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnBeBi _chemical_formula_sum 'Ca1 Mn1 Be1 Bi1' _cell_volume 85.76756329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.50023894 3.50023894 3.50023894 1 Ca Ca2 1 1.75011947 1.75011947 1.75011947 1 Mn Mn3 1 5.25035841 5.25035841 5.25035841 1 [/CIF]
BeBiCaMn
F-43m
216
cubic
-43m
6,060.13548
false
[CIF] data_Bi2SbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41137070 _cell_length_b 5.41137070 _cell_length_c 5.41137070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2SbCl _chemical_formula_sum 'Bi2 Sb1 Cl1' _cell_volume 112.04870988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.82641692 3.82641692 3.82641692 1 Bi Bi1 1 5.73962538 5.73962538 5.73962538 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 1.91320846 1.91320846 1.91320846 1 [/CIF]
Bi2ClSb
F-43m
216
cubic
-43m
8,523.958607
false
[CIF] data_VNiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86021234 _cell_length_b 4.86021234 _cell_length_c 4.86021234 _cell_angle_alpha 130.95033589 _cell_angle_beta 123.90963134 _cell_angle_gamma 77.68482086 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNiSn2 _chemical_formula_sum 'V1 Ni1 Sn2' _cell_volume 69.80482591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 -0.00000000 0.00000000 3.78549273 1 Sn Sn1 1 0.00000000 2.28511497 1.82502087 1 Sn Sn2 1 2.01741379 -0.00000000 1.96047186 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiSn2V
Immm
71
orthorhombic
mmm
8,255.850683
false
[CIF] data_CaZn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16949868 _cell_length_b 4.29272363 _cell_length_c 5.55103934 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.39762244 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZn2Rh _chemical_formula_sum 'Ca1 Zn2 Rh1' _cell_volume 73.76504836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.95333451 0.00000000 2.78211661 1 Rh Rh1 1 -0.41811677 2.14636182 4.27293430 1 Zn Zn2 1 -1.18618417 0.00000000 5.40777789 1 Zn Zn3 1 2.42576626 2.14636182 1.09116043 1 [/CIF]
CaRhZn2
Pm
6
monoclinic
m
6,162.292117
false
[CIF] data_MgPdAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46035861 _cell_length_b 5.46035861 _cell_length_c 5.46035861 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPdAu4 _chemical_formula_sum 'Mg1 Pd1 Au4' _cell_volume 115.11939536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.89626726 2.89626726 4.82584594 1 Au Au1 1 2.89626726 4.82584594 2.89626726 1 Au Au2 1 4.82584594 2.89626726 2.89626726 1 Au Au3 1 4.82584594 4.82584594 4.82584594 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 Pd Pd5 1 1.93052830 1.93052830 1.93052830 1 [/CIF]
Au4MgPd
F-43m
216
cubic
-43m
13,250.21466
false
[CIF] data_Nb2CdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72226685 _cell_length_b 4.60228493 _cell_length_c 5.52451942 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.11750090 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CdCu _chemical_formula_sum 'Nb2 Cd1 Cu1' _cell_volume 68.82060984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.73523289 2.30114246 2.72615423 1 Cu Cu1 1 0.53472965 0.00000000 4.22977567 1 Nb Nb2 1 2.12408970 2.30114246 5.37815770 1 Nb Nb3 1 1.93977539 0.00000000 1.39856162 1 [/CIF]
CdCuNb2
Pm
6
monoclinic
m
8,728.966817
false
[CIF] data_Tl4ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15485260 _cell_length_b 6.15485260 _cell_length_c 6.15485260 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl4ZnRu _chemical_formula_sum 'Tl4 Zn1 Ru1' _cell_volume 164.86860829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17606901 2.17606901 2.17606901 1 Tl Tl1 1 3.26731904 3.26731904 5.43695698 1 Tl Tl2 1 3.26731904 5.43695698 3.26731904 1 Tl Tl3 1 5.43695698 3.26731904 3.26731904 1 Tl Tl4 1 5.43695698 5.43695698 5.43695698 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RuTl4Zn
F-43m
216
cubic
-43m
9,910.574011
false
[CIF] data_AsPRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95693858 _cell_length_b 3.73040025 _cell_length_c 5.18960033 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPRu2 _chemical_formula_sum 'As1 P1 Ru2' _cell_volume 57.24422074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.47846929 1.86520012 2.33574813 1 P P1 1 0.00000000 0.00000000 4.25378928 1 Ru Ru2 1 1.47846929 1.86520012 4.87714467 1 Ru Ru3 1 0.00000000 0.00000000 1.50731874 1 [/CIF]
AsPRu2
Pmm2
25
orthorhombic
mm2
8,935.482846
false
[CIF] data_SrCdOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81976477 _cell_length_b 4.81976477 _cell_length_c 4.81976477 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCdOs _chemical_formula_sum 'Sr1 Cd1 Os1' _cell_volume 79.17034361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40808835 3.40808835 3.40808835 1 Os Os1 1 1.70404418 1.70404418 1.70404418 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdOsSr
F-43m
216
cubic
-43m
8,185.43418
false
[CIF] data_NaNbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.18136648 _cell_length_b 8.04749403 _cell_length_c 2.79575613 _cell_angle_alpha 82.79492701 _cell_angle_beta 77.38764992 _cell_angle_gamma 19.81742307 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbAu _chemical_formula_sum 'Na1 Nb1 Au1' _cell_volume 59.09146223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67982962 2.23482098 15.65419651 1 Na Na1 1 1.67982962 2.23482098 10.38051024 1 Nb Nb2 1 1.67982962 2.23482098 5.44616573 1 [/CIF]
AuNaNb
Fmm2
42
orthorhombic
mm2
8,791.80759
false
[CIF] data_ZrNbGaBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96633416 _cell_length_b 4.96633416 _cell_length_c 4.96633416 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbGaBi _chemical_formula_sum 'Zr1 Nb1 Ga1 Bi1' _cell_volume 86.61494113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75586428 1.75586428 1.75586428 1 Ga Ga1 1 0.00000000 -0.00000000 0.00000000 1 Nb Nb2 1 5.26759284 5.26759284 5.26759284 1 Zr Zr3 1 3.51172856 3.51172856 3.51172856 1 [/CIF]
BiGaNbZr
F-43m
216
cubic
-43m
8,873.221675
false
[CIF] data_Fe2HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99639897 _cell_length_b 2.99639897 _cell_length_c 7.31393386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2HgSe _chemical_formula_sum 'Fe2 Hg1 Se1' _cell_volume 65.66747328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.49819948 1.49819948 0.12133421 1 Fe Fe1 1 0.00000000 0.00000000 1.40417729 1 Hg Hg2 1 1.49819948 1.49819948 3.20017746 1 Se Se3 1 0.00000000 0.00000000 6.24521175 1 [/CIF]
Fe2HgSe
P4mm
99
tetragonal
4mm
9,893.325893
false
[CIF] data_Cd2SbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13349148 _cell_length_b 3.13349148 _cell_length_c 8.80496508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.23474544 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2SbRh _chemical_formula_sum 'Cd2 Sb1 Rh1' _cell_volume 86.43384241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19171019 0.00000000 7.09049609 1 Cd Cd1 1 2.19171019 0.00000000 1.71446899 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 4.40248254 1 [/CIF]
Cd2RhSb
Cmmm
65
orthorhombic
mmm
8,635.408688
false
[CIF] data_CaCuAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10978840 _cell_length_b 5.10978840 _cell_length_c 5.10978840 _cell_angle_alpha 128.30083623 _cell_angle_beta 128.30083623 _cell_angle_gamma 76.13818974 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuAs2 _chemical_formula_sum 'Ca1 Cu1 As2' _cell_volume 79.87009080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22791906 2.01138577 1 As As1 1 2.22791906 -0.00000000 2.01138577 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Cu Cu3 1 -0.00000000 -0.00000000 4.02277154 1 [/CIF]
As2CaCu
I4/mmm
139
tetragonal
4/mmm
5,269.709644
false
[CIF] data_Sn4HgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08787935 _cell_length_b 6.08787935 _cell_length_c 6.08787935 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn4HgPt _chemical_formula_sum 'Sn4 Hg1 Pt1' _cell_volume 159.54496852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 6.45717115 6.45717115 6.45717115 1 Pt Pt1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.38394638 5.38394638 3.22561516 1 Sn Sn3 1 5.38394638 3.22561516 5.38394638 1 Sn Sn4 1 3.22561516 5.38394638 5.38394638 1 Sn Sn5 1 3.22561516 3.22561516 3.22561516 1 [/CIF]
HgPtSn4
F-43m
216
cubic
-43m
9,060.282618
false
[CIF] data_KLiPH2O4F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09529971 _cell_length_b 7.11200000 _cell_length_c 11.90804264 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.01559767 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiPH2O4F _chemical_formula_sum 'K4 Li4 P4 H8 O16 F4' _cell_volume 410.36447487 _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 F F0 1 1.78697899 0.34942003 4.79121686 1 F F1 1 1.46688548 3.90542003 0.87089283 1 F F2 1 -0.37454976 6.76257997 6.53300252 1 F F3 1 -0.05445625 3.20657997 10.45332655 1 H H4 1 2.36881458 6.33730982 7.38940963 1 H H5 1 -2.79782059 2.78130982 9.59691944 1 H H6 1 -0.95638535 0.77469018 3.93480975 1 H H7 1 4.21024982 4.33069018 1.72729994 1 H H8 1 1.84521237 0.71531998 7.46657796 1 H H9 1 -2.27421838 4.27131998 9.51975111 1 H H10 1 -0.43278314 6.39668002 3.85764142 1 H H11 1 3.68664761 2.84068002 1.80446827 1 K K12 1 1.06337903 1.54801997 1.84456359 1 K K13 1 2.19048544 5.10401997 3.81754610 1 K K14 1 0.34905020 5.56398003 9.47965579 1 K K15 1 -0.77805621 2.00798003 7.50667328 1 Li Li16 1 -2.25495914 0.27055997 9.74648010 1 Li Li17 1 1.82595313 3.82655997 7.23984897 1 Li Li18 1 3.66738837 6.84144003 1.57773928 1 Li Li19 1 -0.41352390 3.28544003 4.08437041 1 O O20 1 2.12556890 7.05881981 8.03613637 1 O O21 1 -2.55457492 3.50281981 8.95019270 1 O O22 1 -0.71313968 0.05318019 3.28808301 1 O O23 1 3.96700415 3.60918019 2.37402668 1 O O24 1 1.68574809 2.05738994 6.55407802 1 O O25 1 -2.11475410 5.61338994 10.43225105 1 O O26 1 -0.27331886 5.05461006 4.77014136 1 O O27 1 3.52718333 1.49861006 0.89196833 1 O O28 1 1.33075434 2.67474995 4.10197720 1 O O29 1 1.92311013 6.23074995 1.56013249 1 O O30 1 0.08167489 4.43725005 7.22224218 1 O O31 1 -0.51068090 0.88125005 9.76408688 1 O O32 1 -1.47186352 1.98490998 4.93154817 1 O O33 1 4.72572799 5.54090998 0.73056152 1 O O34 1 2.88429275 5.12709002 6.39267121 1 O O35 1 -3.31329877 1.57109002 10.59365786 1 P P36 1 2.11675541 1.88584992 5.10794599 1 P P37 1 1.13710906 5.44184992 0.55416370 1 P P38 1 -0.70432619 5.22615008 6.21627339 1 P P39 1 0.27532017 1.67015008 10.77005568 1 [/CIF]
F4H8K4Li4O16P4
P2_1/c
14
monoclinic
2/m
2,622.53453
false
[CIF] data_BaTa2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41696664 _cell_length_b 5.41696664 _cell_length_c 5.41696664 _cell_angle_alpha 134.62900238 _cell_angle_beta 134.62900238 _cell_angle_gamma 66.10719575 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTa2B _chemical_formula_sum 'Ba1 Ta2 B1' _cell_volume 79.26714451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 0.00000000 0.00000000 4.54028862 1 Ta Ta2 1 -0.00000000 2.08917529 2.27014431 1 Ta Ta3 1 2.08917529 -0.00000000 2.27014431 1 [/CIF]
BBaTa2
I4/mmm
139
tetragonal
4/mmm
10,684.514864
false
[CIF] data_KAsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00613831 _cell_length_b 5.00613831 _cell_length_c 4.92455917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAsPb _chemical_formula_sum 'K1 As1 Pb1' _cell_volume 106.88178058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000003 2.89029532 4.08697163 1 K K1 1 0.00000000 0.00000000 1.68295711 1 Pb Pb2 1 2.50306913 1.44514767 4.07918955 1 [/CIF]
AsKPb
P3m1
156
trigonal
3m
4,990.543659
false
[CIF] data_FeSb3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88940945 _cell_length_b 4.88940945 _cell_length_c 4.88940945 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSb3S _chemical_formula_sum 'Fe1 Sb3 S1' _cell_volume 116.88781024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 2.44470472 0.00000000 2.44470472 1 Sb Sb1 1 2.44470472 2.44470472 0.00000000 1 Sb Sb2 1 0.00000000 2.44470472 2.44470472 1 S S3 1 0.00000000 0.00000000 0.00000000 1 Fe Fe4 1 2.44470472 2.44470472 2.44470472 1 [/CIF]
FeSSb3
Pm-3m
221
cubic
m-3m
6,438.136689
false
[CIF] data_SrCo4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09464714 _cell_length_b 5.09464714 _cell_length_c 5.09464714 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCo4Se _chemical_formula_sum 'Sr1 Co4 Se1' _cell_volume 93.50338453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.69837248 2.69837248 4.50654660 1 Co Co1 1 2.69837248 4.50654660 2.69837248 1 Co Co2 1 4.50654660 2.69837248 2.69837248 1 Co Co3 1 4.50654660 4.50654660 4.50654660 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 Sr Sr5 1 1.80122977 1.80122977 1.80122977 1 [/CIF]
Co4SeSr
F-43m
216
cubic
-43m
7,144.726275
false
[CIF] data_TiGe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08258263 _cell_length_b 5.08258263 _cell_length_c 5.08258263 _cell_angle_alpha 136.13712896 _cell_angle_beta 136.13712896 _cell_angle_gamma 63.76840283 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGe2Ir _chemical_formula_sum 'Ti1 Ge2 Ir1' _cell_volume 62.20922587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89832828 0.00000000 2.15785458 1 Ge Ge1 1 0.00000000 0.00000000 4.31570917 1 Ir Ir2 1 0.00000000 1.89832828 2.15785459 1 Ti Ti3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Ge2IrTi
I-4m2
119
tetragonal
-42m
10,286.448159
false
[CIF] data_AgPIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87781543 _cell_length_b 2.87781543 _cell_length_c 7.14663762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPIr2 _chemical_formula_sum 'Ag1 P1 Ir2' _cell_volume 59.18717816 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.57331881 1 Ir Ir1 1 1.43890772 1.43890772 5.72582910 1 Ir Ir2 1 1.43890772 1.43890772 1.42080852 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgIr2P
P4/mmm
123
tetragonal
4/mmm
14,680.885363
false
[CIF] data_BeNbNi6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16224426 _cell_length_b 6.16224426 _cell_length_c 10.10235448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.43334058 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbNi6 _chemical_formula_sum 'Be4 Nb4 Ni24' _cell_volume 359.48156625 _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 Be Be0 1 3.51540401 2.37487833 0.00000000 1 Be Be1 1 3.51540401 -2.37487833 0.00000000 1 Be Be2 1 0.00000000 0.00000000 2.39462331 1 Be Be3 1 0.00000000 0.00000000 7.70773117 1 Nb Nb4 1 3.51540401 2.45139141 5.05117724 1 Nb Nb5 1 3.51540401 -2.45139141 5.05117724 1 Nb Nb6 1 3.51540401 0.00000000 2.44278780 1 Nb Nb7 1 3.51540401 0.00000000 7.65956668 1 Ni Ni8 1 3.51540401 2.54185654 2.43804263 1 Ni Ni9 1 5.34828490 -1.23761009 3.73258429 1 Ni Ni10 1 1.68252312 1.23761009 3.73258429 1 Ni Ni11 1 3.51540401 -2.54185654 2.43804263 1 Ni Ni12 1 1.68252312 -1.23761009 3.73258429 1 Ni Ni13 1 5.34828490 1.23761009 3.73258429 1 Ni Ni14 1 3.51540401 0.00000000 0.00000000 1 Ni Ni15 1 1.68886530 1.28658016 1.21366403 1 Ni Ni16 1 1.68886530 -1.28658016 1.21366403 1 Ni Ni17 1 3.51540401 2.54185654 7.66431185 1 Ni Ni18 1 5.34194272 -1.28658016 8.88869045 1 Ni Ni19 1 1.68886530 1.28658016 8.88869045 1 Ni Ni20 1 3.51540401 -2.54185654 7.66431185 1 Ni Ni21 1 1.68886530 -1.28658016 8.88869045 1 Ni Ni22 1 5.34194272 1.28658016 8.88869045 1 Ni Ni23 1 3.51540401 0.00000000 5.05117724 1 Ni Ni24 1 1.68252312 1.23761009 6.36977019 1 Ni Ni25 1 1.68252312 -1.23761009 6.36977019 1 Ni Ni26 1 0.00000000 0.00000000 0.00000000 1 Ni Ni27 1 5.34194272 1.28658016 1.21366403 1 Ni Ni28 1 5.34194272 -1.28658016 1.21366403 1 Ni Ni29 1 0.00000000 0.00000000 5.05117724 1 Ni Ni30 1 5.34828490 1.23761009 6.36977019 1 Ni Ni31 1 5.34828490 -1.23761009 6.36977019 1 [/CIF]
Be4Nb4Ni24
Cmmm
65
orthorhombic
mmm
8,390.036391
false
[CIF] data_BW2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85108116 _cell_length_b 4.85108116 _cell_length_c 4.85108116 _cell_angle_alpha 133.91535155 _cell_angle_beta 133.91535155 _cell_angle_gamma 67.22025126 _symmetry_Int_Tables_number 1 _chemical_formula_structural BW2Au _chemical_formula_sum 'B1 W2 Au1' _cell_volume 58.26323475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89876651 2.02004703 1 B B1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.89876651 -0.00000000 2.02004703 1 W W3 1 0.00000000 -0.00000000 4.04009405 1 [/CIF]
AuBW2
I-4m2
119
tetragonal
-42m
16,400.904937
false
[CIF] data_TlGeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01158636 _cell_length_b 4.01158636 _cell_length_c 7.16951079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGeSb2 _chemical_formula_sum 'Tl1 Ge1 Sb2' _cell_volume 115.37768337 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.82231204 1 Sb Sb1 1 2.00579318 2.00579318 7.06340963 1 Sb Sb2 1 0.00000000 0.00000000 1.42851011 1 Tl Tl3 1 2.00579318 2.00579318 3.60954520 1 [/CIF]
GeSb2Tl
P4mm
99
tetragonal
4mm
7,491.764961
false
[CIF] data_AlSiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18807876 _cell_length_b 4.18807876 _cell_length_c 4.18807876 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSiMo _chemical_formula_sum 'Al1 Si1 Mo1' _cell_volume 51.94329824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.44212833 4.44212833 4.44212833 1 Si Si2 1 2.96141889 2.96141889 2.96141889 1 [/CIF]
AlMoSi
F-43m
216
cubic
-43m
4,828.078043
false
[CIF] data_CaCu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85491749 _cell_length_b 4.85491749 _cell_length_c 4.85491749 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCu2Pb _chemical_formula_sum 'Ca1 Cu2 Pb1' _cell_volume 80.91528398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 3.43294508 3.43294508 3.43294508 1 Cu Cu2 1 5.14941762 5.14941762 5.14941762 1 Pb Pb3 1 1.71647254 1.71647254 1.71647254 1 [/CIF]
CaCu2Pb
F-43m
216
cubic
-43m
7,682.800823
false
[CIF] data_ZrPd2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83803217 _cell_length_b 4.13236458 _cell_length_c 5.73603834 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.53304687 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPd2W _chemical_formula_sum 'Zr1 Pd2 W1' _cell_volume 67.24693756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.38888728 2.06618229 1.50236146 1 Pd Pd1 1 1.29568566 2.06618229 4.23162373 1 W W2 1 -0.07672962 0.00000000 2.86699259 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2WZr
P2/m
10
monoclinic
2/m
12,047.8892
false
[CIF] data_BeFeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.59284326 _cell_length_b 2.59284326 _cell_length_c 5.80639941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFeRh _chemical_formula_sum 'Be1 Fe1 Rh1' _cell_volume 33.80571035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03852395 1 Fe Fe1 1 0.00000000 1.49697875 1.84610213 1 Rh Rh2 1 1.29642163 0.74848938 3.92177333 1 [/CIF]
BeFeRh
P3m1
156
trigonal
3m
8,240.515711
false