Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_SrHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33785118 _cell_length_b 6.33785118 _cell_length_c 6.33785118 _cell_angle_alpha 30.99364831 _cell_angle_beta 30.99364831 _cell_angle_gamma 30.99364831 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf _chemical_formula_sum 'Sr1 Hf1' _cell_volume 59.88540044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 -0.00000000 9.04302008 1 Sr Sr1 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
HfSr
R-3m
166
trigonal
-3m
7,378.861925
false
[CIF] data_Cr2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01147950 _cell_length_b 5.01147950 _cell_length_c 5.01147950 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Sn _chemical_formula_sum 'Cr4 Sn2' _cell_volume 88.99853900 _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 2.65773835 2.65773836 4.42956393 1 Cr Cr1 1 4.42956393 2.65773835 2.65773836 1 Cr Cr2 1 2.65773835 4.42956392 2.65773836 1 Cr Cr3 1 4.42956393 4.42956393 4.42956393 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 Sn Sn5 1 1.77182557 1.77182557 1.77182557 1 [/CIF]
Cr4Sn2
Fd-3m
227
cubic
m-3m
8,310.376945
false
[CIF] data_KInNiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13111312 _cell_length_b 5.13111312 _cell_length_c 5.13111312 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KInNiHg _chemical_formula_sum 'K1 In1 Ni1 Hg1' _cell_volume 95.52559884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 5.44236732 5.44236732 5.44236732 1 In In1 1 3.62824488 3.62824488 3.62824488 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 1.81412244 1.81412244 1.81412244 1 [/CIF]
HgInKNi
F-43m
216
cubic
-43m
7,182.726437
false
[CIF] data_NaGaCoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51345881 _cell_length_b 4.51345881 _cell_length_c 4.51345881 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGaCoAu _chemical_formula_sum 'Na1 Ga1 Co1 Au1' _cell_volume 65.01498280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19149733 3.19149733 3.19149733 1 Co Co1 1 1.59574866 1.59574866 1.59574866 1 Ga Ga2 1 4.78724599 4.78724599 4.78724599 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCoGaNa
F-43m
216
cubic
-43m
8,903.866551
false
[CIF] data_MgTa2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91053701 _cell_length_b 2.91053701 _cell_length_c 9.67904131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.63690260 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTa2Tl _chemical_formula_sum 'Mg1 Ta2 Tl1' _cell_volume 79.68189804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.79916385 0.00000000 2.41144932 1 Ta Ta2 1 1.79916385 0.00000000 7.26759199 1 Tl Tl3 1 0.00000000 0.00000000 4.83952065 1 [/CIF]
MgTa2Tl
Cmmm
65
orthorhombic
mmm
12,307.536943
false
[CIF] data_CaPa2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23209803 _cell_length_b 5.23209803 _cell_length_c 5.23209803 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPa2Al _chemical_formula_sum 'Ca1 Pa2 Al1' _cell_volume 101.27741797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69965200 3.69965200 3.69965200 1 Pa Pa2 1 5.54947800 5.54947800 5.54947800 1 Pa Pa3 1 1.84982600 1.84982600 1.84982600 1 [/CIF]
AlCaPa2
Fm-3m
225
cubic
m-3m
8,675.608149
false
[CIF] data_RbLaPa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75404183 _cell_length_b 5.75404183 _cell_length_c 5.75404183 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbLaPa2 _chemical_formula_sum 'Rb1 La1 Pa2' _cell_volume 134.71130623 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.06872200 4.06872200 4.06872200 1 Pa Pa1 1 2.03436100 2.03436100 2.03436100 1 Pa Pa2 1 6.10308300 6.10308300 6.10308300 1 Rb Rb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaPa2Rb
Fm-3m
225
cubic
m-3m
8,461.567342
false
[CIF] data_CaV2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65516820 _cell_length_b 4.65516820 _cell_length_c 4.65516820 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV2Ga _chemical_formula_sum 'Ca1 V2 Ga1' _cell_volume 71.33310589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.64585050 1.64585050 1.64585050 1 V V2 1 3.29170100 3.29170100 3.29170100 1 V V3 1 4.93755150 4.93755150 4.93755150 1 [/CIF]
CaGaV2
F-43m
216
cubic
-43m
4,927.719709
false
[CIF] data_ReMoRhC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18024851 _cell_length_b 4.18024851 _cell_length_c 4.18024851 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMoRhC _chemical_formula_sum 'Re1 Mo1 Rh1 C1' _cell_volume 51.65249493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47794103 1.47794103 1.47794103 1 Re Re1 1 4.43382310 4.43382310 4.43382310 1 Rh Rh2 1 2.95588207 2.95588207 2.95588207 1 C C3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CMoReRh
F-43m
216
cubic
-43m
12,765.54341
false
[CIF] data_HgTe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57969218 _cell_length_b 4.57969218 _cell_length_c 4.61769610 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgTe2Pd _chemical_formula_sum 'Hg1 Te2 Pd1' _cell_volume 96.84962071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28984609 2.28984609 0.00000000 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.28984609 2.30884805 1 Te Te3 1 2.28984609 0.00000000 2.30884805 1 [/CIF]
HgPdTe2
P4/mmm
123
tetragonal
4/mmm
9,639.394164
false
[CIF] data_BaNaBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85533395 _cell_length_b 5.85533395 _cell_length_c 5.85533395 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaBiPb _chemical_formula_sum 'Ba1 Na1 Bi1 Pb1' _cell_volume 141.95150775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 4.14034634 4.14034634 4.14034634 1 Bi Bi1 1 2.07017317 2.07017317 2.07017317 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 6.21051951 6.21051951 6.21051951 1 [/CIF]
BaBiNaPb
F-43m
216
cubic
-43m
6,743.82461
false
[CIF] data_TlSnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86205574 _cell_length_b 4.86205574 _cell_length_c 4.86205574 _cell_angle_alpha 126.18879722 _cell_angle_beta 126.18879722 _cell_angle_gamma 79.57806093 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSnIr2 _chemical_formula_sum 'Tl1 Sn1 Ir2' _cell_volume 72.34187501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20018666 -0.00000000 1.86801655 1 Ir Ir1 1 0.00000000 2.20018666 1.86801655 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 -0.00000000 3.73603310 1 [/CIF]
Ir2SnTl
I4/mmm
139
tetragonal
4/mmm
16,241.295806
false
[CIF] data_MgNi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84836695 _cell_length_b 3.84836695 _cell_length_c 3.51847779 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi2Os _chemical_formula_sum 'Mg1 Ni2 Os1' _cell_volume 52.10840338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1.92418347 1.75923890 1 Ni Ni2 1 1.92418347 0.00000000 1.75923890 1 Os Os3 1 1.92418347 1.92418347 0.00000000 1 [/CIF]
MgNi2Os
P4/mmm
123
tetragonal
4/mmm
10,577.35567
false
[CIF] data_La2FeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69929569 _cell_length_b 3.69929569 _cell_length_c 7.35037991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2FeRh _chemical_formula_sum 'La2 Fe1 Rh1' _cell_volume 100.58839521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.94493905 1 La La1 1 1.84964785 1.84964785 6.64938491 1 La La2 1 0.00000000 0.00000000 2.66442554 1 Rh Rh3 1 1.84964785 1.84964785 4.11720027 1 [/CIF]
FeLa2Rh
P4mm
99
tetragonal
4mm
7,206.868392
false
[CIF] data_Mg2BAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95643733 _cell_length_b 2.95643733 _cell_length_c 6.97323280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2BAu _chemical_formula_sum 'Mg2 B1 Au1' _cell_volume 60.94969235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48661640 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.47821866 1.47821866 1.44831730 1 Mg Mg3 1 1.47821866 1.47821866 5.52491550 1 [/CIF]
AuBMg2
P4/mmm
123
tetragonal
4/mmm
6,985.330857
false
[CIF] data_Al5Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17010647 _cell_length_b 5.17010647 _cell_length_c 4.67653716 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.03569298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5Ni3 _chemical_formula_sum 'Al5 Ni3' _cell_volume 111.34386431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35000000 2.20454082 0.00000000 1 Al Al1 1 1.35000000 -2.20454082 0.00000000 1 Al Al2 1 2.70000000 2.20454164 2.33826716 1 Al Al3 1 2.70000000 -2.20454164 2.33826716 1 Al Al4 1 0.00000000 0.00000000 3.89711716 1 Ni Ni5 1 2.70000000 0.00000000 3.89711716 1 Ni Ni6 1 1.35000000 0.00000000 1.55884716 1 Ni Ni7 1 4.05000000 -0.00000000 1.55884716 1 [/CIF]
Al5Ni3
Cmm2
35
orthorhombic
mm2
4,637.952426
false
[CIF] data_Bi2TeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01374280 _cell_length_b 11.01374280 _cell_length_c 11.01374280 _cell_angle_alpha 17.76575061 _cell_angle_beta 17.76575061 _cell_angle_gamma 17.76575061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2TeMo _chemical_formula_sum 'Bi2 Te1 Mo1' _cell_volume 108.58235359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.00000000 -0.00000000 23.81985227 1 Bi Bi1 1 0.00000000 0.00000000 8.69191011 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 -0.00000000 -0.00000000 16.25588119 1 [/CIF]
Bi2MoTe
R-3m
166
trigonal
-3m
9,810.713386
false
[CIF] data_Y5Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87907183 _cell_length_b 6.87907183 _cell_length_c 4.89795767 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.09420994 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Sb3 _chemical_formula_sum 'Y5 Sb3' _cell_volume 223.78270647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.18322534 0.00000000 0.00000000 1 Sb Sb1 1 4.18322534 -3.29956309 2.44897883 1 Sb Sb2 1 4.18322534 3.29956309 2.44897883 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 Y Y4 1 2.09161267 2.73048782 0.00000000 1 Y Y5 1 2.09161267 -2.73048782 0.00000000 1 Y Y6 1 2.39692395 0.00000000 2.44897883 1 Y Y7 1 5.96952673 -0.00000000 2.44897883 1 [/CIF]
Sb3Y5
Cmmm
65
orthorhombic
mmm
6,009.042957
false
[CIF] data_TbH2ClO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08543682 _cell_length_b 3.67815289 _cell_length_c 6.65419277 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.26286525 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbH2ClO2 _chemical_formula_sum 'Tb2 H4 Cl2 O4' _cell_volume 139.72442898 _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 Cl Cl0 1 0.46025516 2.75861467 2.72582648 1 Cl Cl1 1 3.32065031 0.91953822 3.51656222 1 H H2 1 4.83994509 0.91953822 1.42110738 1 H H3 1 3.45361046 2.75861467 1.91493551 1 H H4 1 0.32729501 0.91953822 4.32745319 1 H H5 1 -1.05903962 2.75861467 4.82128132 1 O O6 1 5.26399434 0.91953822 0.54293257 1 O O7 1 3.06197416 2.75861467 1.02067437 1 O O8 1 0.71893131 0.91953822 5.22171433 1 O O9 1 -1.48308888 2.75861467 5.69945613 1 Tb Tb10 1 1.53751595 0.91953822 0.78231357 1 Tb Tb11 1 2.24338952 2.75861467 5.46007514 1 [/CIF]
Cl2H4O4Tb2
P2_1/m
11
monoclinic
2/m
5,428.621918
false
[CIF] data_BeCrTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01900002 _cell_length_b 4.01900002 _cell_length_c 4.01900002 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrTcNi _chemical_formula_sum 'Be1 Cr1 Tc1 Ni1' _cell_volume 45.90278421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 4.26279326 4.26279326 4.26279326 1 Ni Ni2 1 2.84186217 2.84186217 2.84186217 1 Tc Tc3 1 1.42093109 1.42093109 1.42093109 1 [/CIF]
BeCrNiTc
F-43m
216
cubic
-43m
7,908.167981
false
[CIF] data_BaCuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78014420 _cell_length_b 4.78014420 _cell_length_c 4.78014420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCuNi _chemical_formula_sum 'Ba1 Cu1 Ni1' _cell_volume 77.23390549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.38007238 3.38007238 3.38007238 1 Cu Cu1 1 5.07010857 5.07010857 5.07010857 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCuNi
F-43m
216
cubic
-43m
5,580.711539
false
[CIF] data_TaV2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68986225 _cell_length_b 2.68986225 _cell_length_c 7.42420642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.99479548 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaV2B _chemical_formula_sum 'Ta1 V2 B1' _cell_volume 51.88770546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 0.00000000 3.71210321 1 V V2 1 1.63758131 0.00000000 6.01858305 1 V V3 1 1.63758131 0.00000000 1.40562337 1 [/CIF]
BTaV2
Cmmm
65
orthorhombic
mmm
9,397.289955
false
[CIF] data_NaTa2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36181048 _cell_length_b 6.36181048 _cell_length_c 6.36181048 _cell_angle_alpha 154.26245679 _cell_angle_beta 134.55625039 _cell_angle_gamma 52.95788923 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTa2Ag _chemical_formula_sum 'Na1 Ta2 Ag1' _cell_volume 79.30626820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.69444557 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.41689480 -0.00000000 3.13769680 1 Ta Ta3 1 0.00000000 2.45730164 2.55674877 1 [/CIF]
AgNaTa2
Immm
71
orthorhombic
mmm
10,317.429331
false
[CIF] data_Na5Bi2P(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.43549055 _cell_length_b 10.43549055 _cell_length_c 10.25688866 _cell_angle_alpha 119.29811306 _cell_angle_beta 119.29811306 _cell_angle_gamma 91.40245656 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Bi2P(CO4)4 _chemical_formula_sum 'Na10 Bi4 P2 C8 O32' _cell_volume 796.69374942 _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 Na Na0 1 1.79367739 1.88190371 2.66915884 1 Na Na1 1 2.67961094 -1.88462234 1.76423718 1 Na Na2 1 -1.79971261 -1.88190371 6.32818734 1 Na Na3 1 1.89806100 -0.98675777 5.48854275 1 Na Na4 1 -0.91377906 1.88462234 5.42326568 1 Na Na5 1 5.49145100 0.98675777 1.82951425 1 Na Na6 1 8.30329106 -1.88462234 1.89479132 1 Na Na7 1 9.18922461 1.88190371 0.98986966 1 Na Na8 1 4.70990106 1.88462234 5.55381982 1 Na Na9 1 5.59583461 -1.88190371 4.64889816 1 Bi Bi10 1 0.05068300 -3.73438050 3.65902850 1 Bi Bi11 1 0.00000000 0.00000000 0.00000000 1 Bi Bi12 1 -3.59339000 0.00000000 3.65902850 1 Bi Bi13 1 3.64407300 3.73438050 0.00000000 1 P P14 1 1.89806100 1.85034073 5.48854275 1 P P15 1 5.49145100 -1.85034073 1.82951425 1 C C16 1 0.51031012 -4.16130235 6.88284483 1 C C17 1 -3.91972582 0.46747722 6.93689600 1 C C18 1 3.28581188 -4.16130235 4.09424067 1 C C19 1 7.71584782 0.46747722 4.04018950 1 C C20 1 -0.32633582 -0.46747722 3.27786750 1 C C21 1 4.10370012 4.16130235 3.22381633 1 C C22 1 6.87920188 4.16130235 0.43521217 1 C C23 1 11.30923782 -0.46747722 0.38116100 1 O O24 1 0.55376549 -1.42756404 3.38147655 1 O O25 1 8.62416953 -4.07426888 0.47964741 1 O O26 1 2.30915310 0.38097403 0.50187235 1 O O27 1 7.68518515 5.17147468 0.47480286 1 O O28 1 -3.03962451 1.42756404 7.04050505 1 O O29 1 2.81693537 2.69712644 6.40350478 1 O O30 1 0.99805167 0.92059201 6.39645017 1 O O31 1 0.40680877 -3.21840115 5.98082844 1 O O32 1 -3.82845205 -0.39995215 5.98432648 1 O O33 1 7.62457405 -0.39995215 4.99275902 1 O O34 1 3.38931323 -3.21840115 4.99625706 1 O O35 1 2.79807033 0.92059201 4.58063533 1 O O36 1 0.97918663 2.69712644 4.57358072 1 O O37 1 -1.28423690 -0.38097403 4.16090085 1 O O38 1 5.03077953 4.07426888 4.13867591 1 O O39 1 4.09179515 -5.17147468 4.13383136 1 O O40 1 3.29771685 5.17147468 3.18422564 1 O O41 1 8.67374890 0.38097403 3.15715615 1 O O42 1 2.35873247 -4.07426888 3.17938109 1 O O43 1 6.41032537 -2.69712644 2.74447628 1 O O44 1 4.59144167 -0.92059201 2.73742167 1 O O45 1 4.00019877 3.21840115 2.32179994 1 O O46 1 -0.23506205 0.39995215 2.32529798 1 O O47 1 6.98270323 3.21840115 1.33722856 1 O O48 1 11.21796405 0.39995215 1.33373052 1 O O49 1 6.39146033 -0.92059201 0.92160683 1 O O50 1 4.57257663 -2.69712644 0.91455222 1 O O51 1 10.42913651 -1.42756404 0.27755195 1 O O52 1 -0.29567315 -5.17147468 6.84325414 1 O O53 1 5.08035890 -0.38097403 6.81618465 1 O O54 1 -1.23465753 4.07426888 6.83840959 1 O O55 1 6.83574651 1.42756404 3.93658045 1 [/CIF]
C8Bi4Na10O32P2
C2/c
15
monoclinic
2/m
3,617.976006
true
[CIF] data_ReTc4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10063010 _cell_length_b 5.10063010 _cell_length_c 5.10063010 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTc4Ag _chemical_formula_sum 'Re1 Tc4 Ag1' _cell_volume 93.83319188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 5.41003519 5.41003519 5.41003520 1 Tc Tc2 1 4.51340272 2.69997754 4.51340272 1 Tc Tc3 1 2.69997754 4.51340272 4.51340272 1 Tc Tc4 1 2.69997754 2.69997754 2.69997754 1 Tc Tc5 1 4.51340272 4.51340272 2.69997754 1 [/CIF]
AgReTc4
F-43m
216
cubic
-43m
12,205.422957
false
[CIF] data_SnTeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65724659 _cell_length_b 4.65724659 _cell_length_c 4.65724659 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnTeOs2 _chemical_formula_sum 'Sn1 Te1 Os2' _cell_volume 71.42869285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93975597 4.93975597 4.93975597 1 Os Os1 1 1.64658532 1.64658532 1.64658532 1 Sn Sn2 1 -0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.29317065 3.29317065 3.29317065 1 [/CIF]
Os2SnTe
Fm-3m
225
cubic
m-3m
14,570.840223
false
[CIF] data_BeSi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06293699 _cell_length_b 4.06293699 _cell_length_c 3.16949124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSi2P _chemical_formula_sum 'Be1 Si2 P1' _cell_volume 52.32024031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 2.03146849 2.03146849 0.00000000 1 Si Si2 1 2.03146849 0.00000000 1.58474562 1 Si Si3 1 0.00000000 2.03146849 1.58474562 1 [/CIF]
BePSi2
P4/mmm
123
tetragonal
4/mmm
3,051.827765
false
[CIF] data_BeSi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31393723 _cell_length_b 4.31393723 _cell_length_c 2.89750479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.24365033 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSi2Rh _chemical_formula_sum 'Be1 Si2 Rh1' _cell_volume 49.90992549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.40471328 0.00000000 0.00000000 1 Si Si2 1 1.20235664 -1.79076858 1.44875239 1 Si Si3 1 1.20235664 1.79076858 1.44875239 1 [/CIF]
BeRhSi2
Cmmm
65
orthorhombic
mmm
5,592.431172
false
[CIF] data_LiPt2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42601380 _cell_length_b 4.42601380 _cell_length_c 4.42601380 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPt2Se _chemical_formula_sum 'Li1 Pt2 Se1' _cell_volume 61.30886731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.56483219 1.56483218 1.56483219 1 Pt Pt2 1 4.69449655 4.69449655 4.69449655 1 Se Se3 1 3.12966437 3.12966437 3.12966437 1 [/CIF]
LiPt2Se
Fm-3m
225
cubic
m-3m
12,894.238754
false
[CIF] data_YPtBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.02392691 _cell_length_b 8.02392691 _cell_length_c 8.02392691 _cell_angle_alpha 153.18100017 _cell_angle_beta 147.29686615 _cell_angle_gamma 42.78417596 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPtBr2 _chemical_formula_sum 'Y1 Pt1 Br2' _cell_volume 125.62133573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.25897961 5.28997420 1 Br Br1 1 1.86082240 -0.00000000 2.18115384 1 Pt Pt2 1 0.00000000 0.00000000 7.47112804 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2PtY
Immm
71
orthorhombic
mmm
5,866.389362
false
[CIF] data_Fe2BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94423579 _cell_length_b 3.94423579 _cell_length_c 3.03797850 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2BSb _chemical_formula_sum 'Fe2 B1 Sb1' _cell_volume 47.26181927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 1.97211790 1.51898925 1 Fe Fe2 1 1.97211790 0.00000000 1.51898925 1 Sb Sb3 1 1.97211790 1.97211790 0.00000000 1 [/CIF]
BFe2Sb
P4/mmm
123
tetragonal
4/mmm
8,582.084634
false
[CIF] data_CrSi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.11432820 _cell_length_b 8.11432820 _cell_length_c 8.11432820 _cell_angle_alpha 20.58016008 _cell_angle_beta 20.58016008 _cell_angle_gamma 20.58016008 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSi2Ge _chemical_formula_sum 'Cr1 Si2 Ge1' _cell_volume 57.78634288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 -0.00000000 1 Ge Ge1 1 -0.00000000 0.00000000 11.90975520 1 Si Si2 1 -0.00000000 0.00000000 6.21461340 1 Si Si3 1 0.00000000 0.00000000 17.60489699 1 [/CIF]
CrGeSi2
R-3m
166
trigonal
-3m
5,195.643777
false
[CIF] data_TaTcNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66827392 _cell_length_b 4.66827392 _cell_length_c 4.66827392 _cell_angle_alpha 133.55552049 _cell_angle_beta 131.34937344 _cell_angle_gamma 69.53066861 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTcNi2 _chemical_formula_sum 'Ta1 Tc1 Ni2' _cell_volume 54.29608934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84069410 -0.00000000 0.02917462 1 Ni Ni1 1 0.00000000 -0.00000000 1.89405740 1 Ta Ta2 1 1.84069410 0.00000000 3.81776434 1 Tc Tc3 1 0.00000000 0.00000000 5.76388563 1 [/CIF]
Ni2TaTc
Imm2
44
orthorhombic
mm2
12,148.830756
false
[CIF] data_CaGaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21396633 _cell_length_b 5.21396633 _cell_length_c 5.21396633 _cell_angle_alpha 131.21629517 _cell_angle_beta 131.21629517 _cell_angle_gamma 71.46965597 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaP2 _chemical_formula_sum 'Ca1 Ga1 P2' _cell_volume 78.49154984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.00000000 0.00000000 4.23232592 1 P P2 1 0.00000000 2.15323735 2.11616296 1 P P3 1 2.15323735 0.00000000 2.11616296 1 [/CIF]
CaGaP2
I4/mmm
139
tetragonal
4/mmm
3,633.450153
false
[CIF] data_InSi2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53013909 _cell_length_b 4.53013909 _cell_length_c 6.52241090 _cell_angle_alpha 110.30533081 _cell_angle_beta 110.30533081 _cell_angle_gamma 48.83263150 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSi2Hg _chemical_formula_sum 'In1 Si2 Hg1' _cell_volume 93.15936320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63120176 0.00000000 2.75236404 1 In In1 1 0.49828740 0.00000000 4.76458469 1 Si Si2 1 0.62984584 -0.00000000 0.04066398 1 Si Si3 1 4.88703377 0.00000000 1.48764400 1 [/CIF]
HgInSi2
Cm
8
monoclinic
m
6,623.289647
false
[CIF] data_SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68310906 _cell_length_b 2.68310906 _cell_length_c 3.67452400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNi _chemical_formula_sum 'Si1 Ni1' _cell_volume 22.90911814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54909374 1.83726200 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiSi
P-6m2
187
hexagonal
-6m2
6,289.922743
false
[CIF] data_TlGaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69099164 _cell_length_b 4.69099164 _cell_length_c 4.69099164 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaAu _chemical_formula_sum 'Tl1 Ga1 Au1' _cell_volume 72.99262452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65851600 1.65851600 1.65851600 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 4.97554800 4.97554800 4.97554800 1 [/CIF]
AuGaTl
F-43m
216
cubic
-43m
10,716.629348
false
[CIF] data_SrIrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15485802 _cell_length_b 3.15485802 _cell_length_c 7.56368204 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIrRh2 _chemical_formula_sum 'Sr1 Ir1 Rh2' _cell_volume 75.28230401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 3.78184102 1 Rh Rh1 1 1.57742901 1.57742901 5.23401722 1 Rh Rh2 1 1.57742901 1.57742901 2.32966482 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRh2Sr
P4/mmm
123
tetragonal
4/mmm
10,712.178475
false
[CIF] data_GePbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67588417 _cell_length_b 4.67588417 _cell_length_c 4.42072259 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GePbCl2 _chemical_formula_sum 'Ge1 Pb1 Cl2' _cell_volume 96.65420468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33794208 0.00000000 2.21036129 1 Cl Cl1 1 0.00000000 2.33794208 2.21036129 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.33794208 2.33794208 0.00000000 1 [/CIF]
Cl2GePb
P4/mmm
123
tetragonal
4/mmm
6,025.888241
false
[CIF] data_SrLaSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.78118104 _cell_length_b 11.78118104 _cell_length_c 11.78118104 _cell_angle_alpha 17.48179651 _cell_angle_beta 17.48179651 _cell_angle_gamma 17.48179651 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaSc2 _chemical_formula_sum 'Sr1 La1 Sc2' _cell_volume 128.78364028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -0.00000000 -0.00000000 17.39757229 1 Sc Sc1 1 0.00000000 -0.00000000 26.28354588 1 Sc Sc2 1 -0.00000000 0.00000000 8.51159871 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaSc2Sr
R-3m
166
trigonal
-3m
4,080.149373
false
[CIF] data_KSrLiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35394400 _cell_length_b 5.35394400 _cell_length_c 5.35394400 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrLiOs _chemical_formula_sum 'K1 Sr1 Li1 Os1' _cell_volume 108.51917306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89290505 1.89290505 1.89290505 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.78581011 3.78581011 3.78581011 1 Sr Sr3 1 5.67871516 5.67871516 5.67871516 1 [/CIF]
KLiOsSr
F-43m
216
cubic
-43m
4,956.090437
false
[CIF] data_Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75593349 _cell_length_b 5.61959951 _cell_length_c 3.07775476 _cell_angle_alpha 76.76137059 _cell_angle_beta 71.87284230 _cell_angle_gamma 31.36578711 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr _chemical_formula_sum Zr2 _cell_volume 49.11026815 _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 Zr Zr0 1 1.99018877 2.34770590 8.97345528 1 Zr Zr1 1 1.99018877 2.34770590 1.53731012 1 [/CIF]
Zr4
Fmmm
69
orthorhombic
mmm
6,169.016033
false
[CIF] data_YPb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38369913 _cell_length_b 4.38369913 _cell_length_c 6.06144071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPb2Br _chemical_formula_sum 'Y1 Pb2 Br1' _cell_volume 116.48160332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 2.19184957 3.03072036 1 Pb Pb2 1 2.19184957 0.00000000 3.03072036 1 Y Y3 1 2.19184957 2.19184957 0.00000000 1 [/CIF]
BrPb2Y
P4/mmm
123
tetragonal
4/mmm
8,314.126114
false
[CIF] data_ZrPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45356899 _cell_length_b 6.45356899 _cell_length_c 6.45356899 _cell_angle_alpha 149.56678435 _cell_angle_beta 149.56678435 _cell_angle_gamma 43.57769020 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPbAu _chemical_formula_sum 'Zr1 Pb1 Au1' _cell_volume 68.77405236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 -0.00000000 0.16372159 1 Pb Pb1 1 0.00000000 -0.00000000 4.04521542 1 Zr Zr2 1 0.00000000 0.00000000 7.77609065 1 [/CIF]
AuPbZr
I4mm
107
tetragonal
4mm
11,961.130176
false
[CIF] data_IrRuPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57275466 _cell_length_b 4.57275466 _cell_length_c 4.57275466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrRuPtPb _chemical_formula_sum 'Ir1 Ru1 Pt1 Pb1' _cell_volume 67.61120958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23342583 3.23342583 3.23342583 1 Pb Pb1 1 1.61671291 1.61671292 1.61671292 1 Pt Pt2 1 4.85013875 4.85013875 4.85013875 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrPbPtRu
F-43m
216
cubic
-43m
17,083.303586
false
[CIF] data_NiHgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48391365 _cell_length_b 4.48391365 _cell_length_c 4.48391365 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiHgMo2 _chemical_formula_sum 'Ni1 Hg1 Mo2' _cell_volume 63.74655571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.17060575 3.17060575 3.17060575 1 Mo Mo1 1 1.58530288 1.58530288 1.58530288 1 Mo Mo2 1 4.75590863 4.75590863 4.75590863 1 Ni Ni3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
HgMo2Ni
Fm-3m
225
cubic
m-3m
11,753.433019
false
[CIF] data_TaB2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01322317 _cell_length_b 4.01322317 _cell_length_c 4.01322317 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaB2Pd _chemical_formula_sum 'Ta1 B2 Pd1' _cell_volume 45.70512867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.25666598 4.25666598 4.25666598 1 B B1 1 1.41888866 1.41888866 1.41888866 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 2.83777732 2.83777732 2.83777732 1 [/CIF]
B2PdTa
Fm-3m
225
cubic
m-3m
11,226.087352
false
[CIF] data_Zn2CrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30840600 _cell_length_b 4.30840600 _cell_length_c 4.30840600 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CrRh _chemical_formula_sum 'Zn2 Cr1 Rh1' _cell_volume 56.55029422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 3.04650310 3.04650310 3.04650310 1 Zn Zn2 1 1.52325155 1.52325155 1.52325155 1 Zn Zn3 1 4.56975465 4.56975465 4.56975465 1 [/CIF]
CrRhZn2
Fm-3m
225
cubic
m-3m
8,388.148164
false
[CIF] data_CrReBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29754778 _cell_length_b 3.29754778 _cell_length_c 6.97583677 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrReBr2 _chemical_formula_sum 'Cr1 Re1 Br2' _cell_volume 75.85400288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.64877389 1.64877389 5.29723489 1 Br Br1 1 1.64877389 1.64877389 1.67860188 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 3.48791838 1 [/CIF]
Br2CrRe
P4/mmm
123
tetragonal
4/mmm
8,712.961154
false
[CIF] data_CuGe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53091596 _cell_length_b 4.53091596 _cell_length_c 4.53091596 _cell_angle_alpha 127.94670111 _cell_angle_beta 123.30593790 _cell_angle_gamma 80.55866852 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuGe2Ir _chemical_formula_sum 'Cu1 Ge2 Ir1' _cell_volume 59.13750166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 2.15132777 1.74027777 1 Ge Ge2 1 1.98811675 0.00000000 1.71636512 1 Ir Ir3 1 -0.00000000 0.00000000 3.45664289 1 [/CIF]
CuGe2Ir
Immm
71
orthorhombic
mmm
11,261.002751
false
[CIF] data_BaBeCoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76061149 _cell_length_b 4.76061149 _cell_length_c 4.76061149 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeCoNi _chemical_formula_sum 'Ba1 Be1 Co1 Ni1' _cell_volume 76.29098544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04939100 5.04939100 5.04939101 1 Be Be1 1 0.00000000 -0.00000000 0.00000000 1 Co Co2 1 1.68313033 1.68313033 1.68313034 1 Ni Ni3 1 3.36626067 3.36626067 3.36626067 1 [/CIF]
BaBeCoNi
F-43m
216
cubic
-43m
5,745.442694
false
[CIF] data_CoRePtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55604071 _cell_length_b 4.55604071 _cell_length_c 4.55604071 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRePtPb _chemical_formula_sum 'Co1 Re1 Pt1 Pb1' _cell_volume 66.87253545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 4.83241092 4.83241092 4.83241092 1 Pt Pt2 1 3.22160728 3.22160728 3.22160728 1 Re Re3 1 1.61080364 1.61080364 1.61080364 1 [/CIF]
CoPbPtRe
F-43m
216
cubic
-43m
16,076.45293
false
[CIF] data_Sc2PdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97076404 _cell_length_b 4.97076404 _cell_length_c 3.18462035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2PdBr _chemical_formula_sum 'Sc2 Pd1 Br1' _cell_volume 78.68717645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 2.48538202 2.48538202 0.00000000 1 Sc Sc2 1 2.48538202 0.00000000 1.59231018 1 Sc Sc3 1 0.00000000 2.48538202 1.59231018 1 [/CIF]
BrPdSc2
P4/mmm
123
tetragonal
4/mmm
5,829.417169
false
[CIF] data_CrTcBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24982956 _cell_length_b 4.24344088 _cell_length_c 5.91808968 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.84244249 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTcBi2 _chemical_formula_sum 'Cr1 Tc1 Bi2' _cell_volume 81.32186677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.40820851 2.12172044 4.43664869 1 Bi Bi1 1 2.34203969 2.12172044 1.46031697 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.37512410 0.00000000 2.94848283 1 [/CIF]
Bi2CrTc
P2/m
10
monoclinic
2/m
11,615.810588
false
[CIF] data_ScZnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67732992 _cell_length_b 3.67732992 _cell_length_c 7.16077921 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnTe2 _chemical_formula_sum 'Sc1 Zn1 Te2' _cell_volume 96.83346530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Te Te1 1 1.83866496 1.83866496 1.67762198 1 Te Te2 1 1.83866496 1.83866496 5.48315723 1 Zn Zn3 1 0.00000000 0.00000000 3.58038961 1 [/CIF]
ScTe2Zn
P4/mmm
123
tetragonal
4/mmm
6,268.356298
false
[CIF] data_Ta3SI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00543145 _cell_length_b 5.00543145 _cell_length_c 5.00543145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3SI _chemical_formula_sum 'Ta3 S1 I1' _cell_volume 125.40780142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 2.50271572 2.50271572 2.50271572 1 S S1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 2.50271572 0.00000000 2.50271572 1 Ta Ta3 1 2.50271572 2.50271572 0.00000000 1 Ta Ta4 1 0.00000000 2.50271572 2.50271572 1 [/CIF]
ISTa3
Pm-3m
221
cubic
m-3m
9,292.787796
false
[CIF] data_BaLi2Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43960562 _cell_length_b 5.43960562 _cell_length_c 5.43960562 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi2Zr _chemical_formula_sum 'Ba1 Li2 Zr1' _cell_volume 113.81178723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.84638202 3.84638202 3.84638202 1 Li Li1 1 5.76957303 5.76957303 5.76957303 1 Li Li2 1 1.92319101 1.92319101 1.92319101 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaLi2Zr
Fm-3m
225
cubic
m-3m
3,537.150917
false
[CIF] data_BaTeRh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49110032 _cell_length_b 5.49110032 _cell_length_c 5.49110032 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTeRh4 _chemical_formula_sum 'Ba1 Te1 Rh4' _cell_volume 117.07472216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94139714 1.94139714 1.94139714 1 Rh Rh1 1 2.89875693 2.89875693 4.86683161 1 Rh Rh2 1 2.89875693 4.86683161 2.89875693 1 Rh Rh3 1 4.86683161 2.89875693 2.89875693 1 Rh Rh4 1 4.86683161 4.86683161 4.86683161 1 Te Te5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaRh4Te
F-43m
216
cubic
-43m
9,595.889055
false
[CIF] data_ReBiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78101663 _cell_length_b 4.78101663 _cell_length_c 4.78101663 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBiAu2 _chemical_formula_sum 'Re1 Bi1 Au2' _cell_volume 77.27620130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.07103392 5.07103392 5.07103392 1 Au Au1 1 3.38068928 3.38068928 3.38068928 1 Bi Bi2 1 1.69034464 1.69034464 1.69034464 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BiRe
F-43m
216
cubic
-43m
16,956.90859
false
[CIF] data_GaTeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95296391 _cell_length_b 5.57969334 _cell_length_c 5.72766002 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.34019762 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTeAs2 _chemical_formula_sum 'Ga1 Te1 As2' _cell_volume 93.79534387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.57598672 0.00000000 0.62875350 1 As As1 1 0.71313817 2.78984667 0.92871931 1 Ga Ga2 1 -0.04774419 0.00000000 3.27837961 1 Te Te3 1 0.76281097 2.78984667 3.70308974 1 [/CIF]
As2GaTe
Pm
6
monoclinic
m
6,146.179692
false
[CIF] data_LaV2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06947867 _cell_length_b 3.06947867 _cell_length_c 7.70139986 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaV2Tc _chemical_formula_sum 'La1 V2 Tc1' _cell_volume 72.56027371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53473934 1.53473934 3.90525210 1 Tc Tc1 1 0.00000000 0.00000000 6.30102437 1 V V2 1 1.53473934 1.53473934 7.63699197 1 V V3 1 0.00000000 0.00000000 1.41023121 1 [/CIF]
LaTcV2
P4mm
99
tetragonal
4mm
7,773.899427
false
[CIF] data_Na2CaSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61703023 _cell_length_b 4.72345528 _cell_length_c 6.95405767 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.95653938 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CaSi _chemical_formula_sum 'Na2 Ca1 Si1' _cell_volume 115.30187118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.17500209 2.36172764 4.54088554 1 Na Na1 1 3.43210527 0.00000000 0.10967819 1 Na Na2 1 1.62351355 2.36172764 1.73308509 1 Si Si3 1 1.64612862 0.00000000 3.73950109 1 [/CIF]
CaNa2Si
Pm
6
monoclinic
m
1,643.849946
false
[CIF] data_Ti2CrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24540198 _cell_length_b 4.24540198 _cell_length_c 3.82241553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CrBi _chemical_formula_sum 'Ti2 Cr1 Bi1' _cell_volume 68.89306921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.12270099 2.12270099 0.00000000 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 0.00000000 2.12270099 1.91120776 1 Ti Ti3 1 2.12270099 0.00000000 1.91120776 1 [/CIF]
BiCrTi2
P4/mmm
123
tetragonal
4/mmm
8,597.841953
false
[CIF] data_NbCrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24424008 _cell_length_b 3.24424008 _cell_length_c 6.60237653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.42242624 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrSe2 _chemical_formula_sum 'Nb1 Cr1 Se2' _cell_volume 69.46921790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 3.30118826 1 Se Se2 1 2.26537241 0.00000000 4.84457340 1 Se Se3 1 2.26537241 0.00000000 1.75780313 1 [/CIF]
CrNbSe2
Cmmm
65
orthorhombic
mmm
7,238.437015
false
[CIF] data_ScSb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23374722 _cell_length_b 6.23374722 _cell_length_c 4.75061178 _cell_angle_alpha 105.06327487 _cell_angle_beta 105.06327487 _cell_angle_gamma 34.15792956 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSb2Cl _chemical_formula_sum 'Sc1 Sb2 Cl1' _cell_volume 99.74800933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.69238030 -0.00000000 3.24368078 1 Sb Sb2 1 8.93373604 0.00000000 1.32798760 1 Sc Sc3 1 5.31305817 0.00000000 2.28583419 1 [/CIF]
ClSb2Sc
C2/m
12
monoclinic
2/m
5,392.554867
false
[CIF] data_Ga4AgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17290654 _cell_length_b 5.17290654 _cell_length_c 5.17290654 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga4AgW _chemical_formula_sum 'Ga4 Ag1 W1' _cell_volume 97.87885879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.57022797 4.57022797 2.74536661 1 Ga Ga2 1 4.57022797 2.74536661 4.57022797 1 Ga Ga3 1 2.74536661 4.57022797 4.57022797 1 Ga Ga4 1 2.74536661 2.74536661 2.74536661 1 W W5 1 5.48669594 5.48669594 5.48669594 1 [/CIF]
AgGa4W
F-43m
216
cubic
-43m
9,680.373629
false
[CIF] data_MgTlOsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56027493 _cell_length_b 4.56027493 _cell_length_c 4.56027493 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlOsRu _chemical_formula_sum 'Mg1 Tl1 Os1 Ru1' _cell_volume 67.05915582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.61230066 1.61230066 1.61230067 1 Ru Ru2 1 4.83690199 4.83690199 4.83690200 1 Tl Tl3 1 3.22460133 3.22460133 3.22460133 1 [/CIF]
MgOsRuTl
F-43m
216
cubic
-43m
12,876.107308
false
[CIF] data_TaFe2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80407867 _cell_length_b 2.80407867 _cell_length_c 6.76687724 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.25999139 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaFe2Ge _chemical_formula_sum 'Ta1 Fe2 Ge1' _cell_volume 53.19412412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 6.54619489 1 Fe Fe1 1 1.96086193 0.00000000 5.10990584 1 Ge Ge2 1 0.00000000 0.00000000 3.64394546 1 Ta Ta3 1 1.96086193 0.00000000 1.61714697 1 [/CIF]
Fe2GeTa
Cmm2
35
orthorhombic
mm2
11,402.729154
false
[CIF] data_NaFe4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90663377 _cell_length_b 4.90663377 _cell_length_c 4.90663377 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFe4As _chemical_formula_sum 'Na1 Fe4 As1' _cell_volume 83.52874038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.20427101 5.20427101 5.20427101 1 Fe Fe1 1 4.33712664 2.60190138 4.33712664 1 Fe Fe2 1 2.60190138 4.33712664 4.33712664 1 Fe Fe3 1 2.60190138 2.60190138 2.60190138 1 Fe Fe4 1 4.33712664 4.33712664 2.60190138 1 Na Na5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsFe4Na
F-43m
216
cubic
-43m
6,387.22514
false
[CIF] data_CaAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44516737 _cell_length_b 4.44516737 _cell_length_c 4.44516737 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAl _chemical_formula_sum 'Ca1 Al1' _cell_volume 62.10825894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14320799 3.14320799 3.14320799 1 [/CIF]
AlCa
Fm-3m
225
cubic
m-3m
1,792.917488
false
[CIF] data_BaBeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40474563 _cell_length_b 4.40474563 _cell_length_c 4.83305334 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeAg _chemical_formula_sum 'Ba1 Be1 Ag1' _cell_volume 81.20707833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20237283 1.27154052 0.00000000 1 Ba Ba1 1 0.00000002 2.54308106 2.41652667 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBaBe
P-6m2
187
hexagonal
-6m2
5,198.084919
false
[CIF] data_FeCoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21320076 _cell_length_b 4.21320076 _cell_length_c 2.98170903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCoAs2 _chemical_formula_sum 'Fe1 Co1 As2' _cell_volume 52.92849786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10660038 1.49085452 1 As As1 1 2.10660038 0.00000000 1.49085452 1 Co Co2 1 2.10660038 2.10660038 0.00000000 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CoFe
P4/mmm
123
tetragonal
4/mmm
8,302.04027
false
[CIF] data_LiTiCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08946231 _cell_length_b 5.08946231 _cell_length_c 5.08946231 _cell_angle_alpha 145.67999238 _cell_angle_beta 145.67999238 _cell_angle_gamma 49.32232714 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiCo _chemical_formula_sum 'Li1 Ti1 Co1' _cell_volume 41.71621982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14275842 1 Li Li1 1 -0.00000000 0.00000000 3.22037627 1 Ti Ti2 1 -0.00000000 0.00000000 5.88738253 1 [/CIF]
CoLiTi
I4mm
107
tetragonal
4mm
4,527.536258
false
[CIF] data_MnCoMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91452840 _cell_length_b 3.91452840 _cell_length_c 3.91452840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCoMo _chemical_formula_sum 'Mn1 Co1 Mo1' _cell_volume 42.41537865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15198437 4.15198437 4.15198437 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 2.76798958 2.76798958 2.76798958 1 [/CIF]
CoMnMo
F-43m
216
cubic
-43m
8,214.779227
false
[CIF] data_TcNiGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22293492 _cell_length_b 5.22293492 _cell_length_c 5.22293492 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNiGe4 _chemical_formula_sum 'Tc1 Ni1 Ge4' _cell_volume 100.74623973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 2.76964575 2.76964575 4.61669965 1 Ge Ge1 1 2.76964575 4.61669965 2.76964575 1 Ge Ge2 1 4.61669965 2.76964575 2.76964575 1 Ge Ge3 1 4.61669965 4.61669965 4.61669965 1 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1 Tc Tc5 1 1.84658635 1.84658635 1.84658635 1 [/CIF]
Ge4NiTc
F-43m
216
cubic
-43m
7,386.742432
false
[CIF] data_La2NbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05194295 _cell_length_b 6.05194295 _cell_length_c 6.05194295 _cell_angle_alpha 139.01157203 _cell_angle_beta 139.01157203 _cell_angle_gamma 59.35720736 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbIr _chemical_formula_sum 'La2 Nb1 Ir1' _cell_volume 94.42532061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11886263 0.00000000 2.62901388 1 La La1 1 0.00000000 -0.00000000 5.25802775 1 La La2 1 0.00000000 2.11886263 2.62901387 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrLa2Nb
I-4m2
119
tetragonal
-42m
9,899.616165
false
[CIF] data_Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06544030 _cell_length_b 3.06544030 _cell_length_c 3.06544030 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Se _chemical_formula_sum Se1 _cell_volume 20.36871295 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Se
Fm-3m
225
cubic
m-3m
6,437.135474
false
[CIF] data_ScZnAgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60652001 _cell_length_b 4.60652001 _cell_length_c 4.60652001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnAgPd _chemical_formula_sum 'Sc1 Zn1 Ag1 Pd1' _cell_volume 69.12002547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25730154 3.25730154 3.25730154 1 Pd Pd1 1 1.62865077 1.62865077 1.62865077 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 4.88595231 4.88595231 4.88595231 1 [/CIF]
AgPdScZn
F-43m
216
cubic
-43m
7,798.767669
false
[CIF] data_CaSnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03461749 _cell_length_b 6.03461749 _cell_length_c 6.03461749 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSnF6 _chemical_formula_sum 'Ca1 Sn1 F6' _cell_volume 155.39399933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 4.26711895 4.26711895 4.26711895 1 F F2 1 4.26711895 4.26711895 6.26570092 1 F F3 1 4.26711895 6.26570092 4.26711895 1 F F4 1 4.26711895 4.26711895 2.26853698 1 F F5 1 6.26570092 4.26711895 4.26711895 1 F F6 1 2.26853698 4.26711895 4.26711895 1 F F7 1 4.26711895 2.26853698 4.26711895 1 [/CIF]
CaF6Sn
Fm-3m
225
cubic
m-3m
2,914.908063
false
[CIF] data_Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27737095 _cell_length_b 3.27737095 _cell_length_c 3.27737095 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb _chemical_formula_sum Sb1 _cell_volume 27.09910257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sb
Im-3m
229
cubic
m-3m
7,461.03072
false
[CIF] data_NaSbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26273671 _cell_length_b 3.26273671 _cell_length_c 7.49962738 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSbPt2 _chemical_formula_sum 'Na1 Sb1 Pt2' _cell_volume 79.83691458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.63136835 1.63136835 2.13053742 1 Pt Pt2 1 1.63136835 1.63136835 5.36908996 1 Sb Sb3 1 0.00000000 0.00000000 3.74981369 1 [/CIF]
NaPt2Sb
P4/mmm
123
tetragonal
4/mmm
11,125.828922
false
[CIF] data_Mg2OsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75265820 _cell_length_b 4.48513353 _cell_length_c 5.31485531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2OsW _chemical_formula_sum 'Mg2 Os1 W1' _cell_volume 65.61741407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.37632910 2.24256676 1.34837109 1 Mg Mg1 1 1.37632910 2.24256676 3.96648422 1 Os Os2 1 0.00000000 0.00000000 2.65742766 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2OsW
Pmmm
47
orthorhombic
mmm
10,696.499742
false
[CIF] data_Mg2TlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13897667 _cell_length_b 3.34139965 _cell_length_c 7.70416065 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TlPt _chemical_formula_sum 'Mg2 Tl1 Pt1' _cell_volume 80.80567100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.56948833 1.67069983 6.18459062 1 Mg Mg1 1 1.56948833 1.67069983 1.51957003 1 Pt Pt2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.85208032 1 [/CIF]
Mg2PtTl
Pmmm
47
orthorhombic
mmm
9,207.891628
false
[CIF] data_Sr4HgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62330163 _cell_length_b 7.62330163 _cell_length_c 7.62330163 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4HgBr _chemical_formula_sum 'Sr4 Hg1 Br1' _cell_volume 313.26675907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.69524414 2.69524414 2.69524414 1 Sr Sr2 1 4.05055509 4.05055509 6.73042147 1 Sr Sr3 1 4.05055509 6.73042147 4.05055509 1 Sr Sr4 1 6.73042147 4.05055509 4.05055509 1 Sr Sr5 1 6.73042147 6.73042147 6.73042147 1 [/CIF]
BrHgSr4
F-43m
216
cubic
-43m
3,344.61588
false
[CIF] data_VSi2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09593850 _cell_length_b 4.09593850 _cell_length_c 4.09593850 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSi2B _chemical_formula_sum 'V1 Si2 B1' _cell_volume 48.58981932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 2.89626589 2.89626589 2.89626589 1 Si Si2 1 4.34439884 4.34439884 4.34439884 1 V V3 1 1.44813295 1.44813295 1.44813295 1 [/CIF]
BSi2V
F-43m
216
cubic
-43m
4,029.991907
false
[CIF] data_GaCuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68916596 _cell_length_b 3.68916596 _cell_length_c 3.68916596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCuO3 _chemical_formula_sum 'Ga1 Cu1 O3' _cell_volume 50.20934758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1.84458298 0.00000000 1 O O1 1 0.00000000 0.00000000 1.84458298 1 O O2 1 1.84458298 0.00000000 0.00000000 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 Ga Ga4 1 1.84458298 1.84458298 1.84458298 1 [/CIF]
CuGaO3
Pm-3m
221
cubic
m-3m
5,994.924881
false
[CIF] data_TaBeZnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28472227 _cell_length_b 4.28472227 _cell_length_c 4.28472227 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBeZnRh _chemical_formula_sum 'Ta1 Be1 Zn1 Rh1' _cell_volume 55.62282361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.02975617 3.02975617 3.02975617 1 Ta Ta2 1 1.51487809 1.51487809 1.51487809 1 Zn Zn3 1 4.54463426 4.54463426 4.54463426 1 [/CIF]
BeRhTaZn
F-43m
216
cubic
-43m
10,694.903864
false
[CIF] data_BeFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.33308693 _cell_length_b 2.33308693 _cell_length_c 7.46745840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.86248488 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFe _chemical_formula_sum 'Be2 Fe2' _cell_volume 37.45430214 _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 1.29005076 0.97199070 0.91715690 1 Be Be1 1 1.29005076 -0.97199070 6.55030150 1 Fe Fe2 1 1.29005076 0.97199070 4.73916811 1 Fe Fe3 1 1.29005076 -0.97199070 2.72829029 1 [/CIF]
Be2Fe2
Cmme
67
orthorhombic
mmm
5,750.895268
false
[CIF] data_BeCoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47014180 _cell_length_b 4.47014180 _cell_length_c 4.69848983 _cell_angle_alpha 105.48681323 _cell_angle_beta 105.48681323 _cell_angle_gamma 35.63411448 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoPt2 _chemical_formula_sum 'Be1 Co1 Pt2' _cell_volume 52.50322329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 3.59685764 -0.00000000 2.25495394 1 Pt Pt2 1 1.29796319 -0.00000000 3.43461974 1 Pt Pt3 1 5.89575210 -0.00000000 1.07528814 1 [/CIF]
BeCoPt2
C2/m
12
monoclinic
2/m
14,488.922998
false
[CIF] data_In2AsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33176155 _cell_length_b 5.33176155 _cell_length_c 2.90754762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.13304891 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2AsW _chemical_formula_sum 'In2 As1 W1' _cell_volume 78.98688373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 1.58323740 -2.14482624 1.45377381 1 In In2 1 1.58323740 2.14482624 1.45377381 1 W W3 1 3.16647481 -0.00000000 0.00000000 1 [/CIF]
AsIn2W
Cmmm
65
orthorhombic
mmm
10,267.660167
false
[CIF] data_LiBeHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44175682 _cell_length_b 3.44175682 _cell_length_c 5.76530773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.88285817 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeHg2 _chemical_formula_sum 'Li1 Be1 Hg2' _cell_volume 68.25717577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39337483 0.00000000 1.40844542 1 Hg Hg1 1 0.00000000 0.00000000 0.32788989 1 Hg Hg2 1 2.39337483 0.00000000 4.03341759 1 Li Li3 1 0.00000000 0.00000000 2.87820876 1 [/CIF]
BeHg2Li
Cmm2
35
orthorhombic
mm2
10,147.884627
false
[CIF] data_CdTcNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53219734 _cell_length_b 4.53219734 _cell_length_c 4.53219734 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTcNiSn _chemical_formula_sum 'Cd1 Tc1 Ni1 Sn1' _cell_volume 65.82811751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60237374 1.60237374 1.60237374 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 4.80712121 4.80712120 4.80712120 1 Tc Tc3 1 3.20474747 3.20474747 3.20474747 1 [/CIF]
CdNiSnTc
F-43m
216
cubic
-43m
9,805.623595
false
[CIF] data_KCaTlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78669805 _cell_length_b 5.78669805 _cell_length_c 5.78669805 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaTlGa _chemical_formula_sum 'K1 Ca1 Tl1 Ga1' _cell_volume 137.01795014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.13772015 6.13772015 6.13772015 1 Ga Ga1 1 2.04590672 2.04590672 2.04590671 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 4.09181343 4.09181343 4.09181343 1 [/CIF]
CaGaKTl
F-43m
216
cubic
-43m
4,281.479604
false
[CIF] data_ZnGe2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07693848 _cell_length_b 3.07693848 _cell_length_c 8.90652481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.01897801 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGe2Sb _chemical_formula_sum 'Zn1 Ge2 Sb1' _cell_volume 82.76838850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95678032 0.00000000 1.87821748 1 Ge Ge1 1 1.95678032 0.00000000 7.02830733 1 Sb Sb2 1 0.00000000 0.00000000 4.45326240 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2SbZn
Cmmm
65
orthorhombic
mmm
6,669.169312
false
[CIF] data_AlCd2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60127605 _cell_length_b 3.60127605 _cell_length_c 5.68646546 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCd2Pd _chemical_formula_sum 'Al1 Cd2 Pd1' _cell_volume 73.74884636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.80063803 1.80063803 1.45218498 1 Cd Cd2 1 1.80063803 1.80063803 4.23428048 1 Pd Pd3 1 0.00000000 0.00000000 2.84323273 1 [/CIF]
AlCd2Pd
P4/mmm
123
tetragonal
4/mmm
8,065.809972
false
[CIF] data_LaGeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15971590 _cell_length_b 6.15971590 _cell_length_c 6.15971590 _cell_angle_alpha 140.20692614 _cell_angle_beta 140.20692614 _cell_angle_gamma 57.53924525 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGeCl2 _chemical_formula_sum 'La1 Ge1 Cl2' _cell_volume 94.90881349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 2.09629125 -0.00000000 2.69968637 1 Ge Ge2 1 0.00000000 0.00000000 5.39937274 1 La La3 1 -0.00000000 2.09629125 2.69968637 1 [/CIF]
Cl2GeLa
I-4m2
119
tetragonal
-42m
4,941.81397
false
[CIF] data_ZrCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80866059 _cell_length_b 3.80866059 _cell_length_c 3.80866059 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCr _chemical_formula_sum 'Zr1 Cr1' _cell_volume 39.06625839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Zr Zr1 1 2.69312973 2.69312973 2.69312973 1 [/CIF]
CrZr
Fm-3m
225
cubic
m-3m
6,087.672098
false
[CIF] data_SrBeGaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73014959 _cell_length_b 4.73014959 _cell_length_c 4.73014959 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeGaCu _chemical_formula_sum 'Sr1 Be1 Ga1 Cu1' _cell_volume 74.83583832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01708128 5.01708128 5.01708128 1 Ga Ga2 1 3.34472085 3.34472085 3.34472085 1 Sr Sr3 1 1.67236043 1.67236043 1.67236043 1 [/CIF]
BeCuGaSr
F-43m
216
cubic
-43m
5,101.297757
false
[CIF] data_PdPbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04855480 _cell_length_b 5.04855480 _cell_length_c 5.04855480 _cell_angle_alpha 131.44415129 _cell_angle_beta 131.44415129 _cell_angle_gamma 71.10835908 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdPbW2 _chemical_formula_sum 'Pd1 Pb1 W2' _cell_volume 70.79171570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07577980 2.05366635 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 2.07577980 -0.00000000 2.05366636 1 W W3 1 0.00000000 -0.00000000 4.10733271 1 [/CIF]
PbPdW2
I-4m2
119
tetragonal
-42m
15,981.040365
false
[CIF] data_TcRu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92045704 _cell_length_b 4.92045704 _cell_length_c 4.41547697 _cell_angle_alpha 92.11516193 _cell_angle_beta 92.11516193 _cell_angle_gamma 34.21532994 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcRu2Se _chemical_formula_sum 'Tc1 Ru2 Se1' _cell_volume 60.06702507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.21934004 0.00000000 4.38689531 1 Ru Ru1 1 6.76613801 0.00000000 1.05803488 1 Se Se2 1 4.62498814 0.00000000 2.17655585 1 Tc Tc3 1 2.47697912 0.00000000 3.40897253 1 [/CIF]
Ru2SeTc
Cm
8
monoclinic
m
10,505.183832
false