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_TiCo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62845436 _cell_length_b 3.64736021 _cell_length_c 5.20126974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCo2Os _chemical_formula_sum 'Ti1 Co2 Os1' _cell_volume 49.86415610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.31422718 1.82368011 1.36183785 1 Co Co1 1 1.31422718 1.82368011 3.83943189 1 Os Os2 1 0.00000000 0.00000000 2.60063487 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2OsTi
Pmmm
47
orthorhombic
mmm
11,854.028257
false
[CIF] data_ZnSiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82687182 _cell_length_b 5.82687182 _cell_length_c 2.78831901 _cell_angle_alpha 99.31080107 _cell_angle_beta 99.31080107 _cell_angle_gamma 121.20300187 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSiSe2 _chemical_formula_sum 'Zn1 Si1 Se2' _cell_volume 76.45038649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.97064794 -2.53826307 1.31625927 1 Se Se1 1 0.97064794 2.53826307 1.31625927 1 Si Si2 1 -0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.86030026 0.00000000 0.00000000 1 [/CIF]
Se2SiZn
C2/m
12
monoclinic
2/m
5,460.213646
false
[CIF] data_ScCr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06108065 _cell_length_b 3.06108065 _cell_length_c 7.59622924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCr2Pb _chemical_formula_sum 'Sc1 Cr2 Pb1' _cell_volume 71.17829924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53054033 1.53054033 0.37046217 1 Cr Cr1 1 0.00000000 0.00000000 1.45082129 1 Pb Pb2 1 1.53054033 1.53054033 3.49841094 1 Sc Sc3 1 0.00000000 0.00000000 6.07464945 1 [/CIF]
Cr2PbSc
P4mm
99
tetragonal
4mm
8,308.681997
false
[CIF] data_NbZn2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78236278 _cell_length_b 4.78236278 _cell_length_c 4.78236278 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZn2In _chemical_formula_sum 'Nb1 Zn2 In1' _cell_volume 77.34149355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 5.07246173 5.07246173 5.07246173 1 Nb Nb1 1 3.38164115 3.38164115 3.38164115 1 Zn Zn2 1 1.69082058 1.69082058 1.69082058 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InNbZn2
F-43m
216
cubic
-43m
7,267.334914
false
[CIF] data_BeNbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91388393 _cell_length_b 2.91388393 _cell_length_c 7.20539442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbAu2 _chemical_formula_sum 'Be1 Nb1 Au2' _cell_volume 61.17898332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45694196 1.45694196 5.72415512 1 Au Au1 1 1.45694196 1.45694196 1.48123930 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 0.00000000 0.00000000 3.60269721 1 [/CIF]
Au2BeNb
P4/mmm
123
tetragonal
4/mmm
13,458.561656
false
[CIF] data_Y2MnBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75864116 _cell_length_b 4.75864116 _cell_length_c 3.46595062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MnBe _chemical_formula_sum 'Y2 Mn1 Be1' _cell_volume 78.48529309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 2.37932058 2.37932058 0.00000000 1 Y Y2 1 2.37932058 0.00000000 1.73297531 1 Y Y3 1 0.00000000 2.37932058 1.73297531 1 [/CIF]
BeMnY2
P4/mmm
123
tetragonal
4/mmm
5,115.036318
false
[CIF] data_NiMo2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25087840 _cell_length_b 5.25087840 _cell_length_c 5.25087840 _cell_angle_alpha 138.41101617 _cell_angle_beta 138.41101617 _cell_angle_gamma 60.27408791 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMo2Br _chemical_formula_sum 'Ni1 Mo2 Br1' _cell_volume 63.12241927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.54110138 1 Mo Mo1 1 -0.00000000 1.86415158 2.27055069 1 Mo Mo2 1 1.86415158 0.00000000 2.27055069 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrMo2Ni
I4/mmm
139
tetragonal
4/mmm
8,694.803863
false
[CIF] data_CrSiRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35085408 _cell_length_b 4.35085408 _cell_length_c 4.35085408 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSiRh3 _chemical_formula_sum 'Cr1 Si1 Rh3' _cell_volume 82.36136851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17542704 2.17542704 2.17542704 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 0.00000000 2.17542704 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 2.17542704 1 Rh Rh4 1 2.17542704 0.00000000 0.00000000 1 [/CIF]
CrRh3Si
Pm-3m
221
cubic
m-3m
7,838.801683
false
[CIF] data_Sr2ZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33137897 _cell_length_b 4.55066029 _cell_length_c 7.20718674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZnIn _chemical_formula_sum 'Sr2 Zn1 In1' _cell_volume 142.05822202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 2.16568949 2.27533014 5.51248590 1 Sr Sr1 1 0.00000000 0.00000000 6.78011595 1 Sr Sr2 1 2.16568949 2.27533014 2.24473763 1 Zn Zn3 1 0.00000000 0.00000000 3.48062730 1 [/CIF]
InSr2Zn
Pmm2
25
orthorhombic
mm2
4,154.766098
false
[CIF] data_Be2AgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95729925 _cell_length_b 2.95729925 _cell_length_c 6.72432743 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.34917064 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AgAs _chemical_formula_sum 'Be2 Ag1 As1' _cell_volume 58.32529555 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95280773 0.00000000 3.95696753 1 As As1 1 0.00000000 0.00000000 1.07134446 1 Be Be2 1 1.95280773 0.00000000 6.46384265 1 Be Be3 1 0.00000000 0.00000000 5.31866387 1 [/CIF]
AgAsBe2
Cmm2
35
orthorhombic
mm2
5,717.240886
false
[CIF] data_SrMnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13394869 _cell_length_b 5.13394869 _cell_length_c 5.13394869 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnSe2 _chemical_formula_sum 'Sr1 Mn1 Se2' _cell_volume 95.68405518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 3.63024993 3.63024993 3.63024993 1 Se Se2 1 5.44537490 5.44537490 5.44537490 1 Sr Sr3 1 1.81512497 1.81512497 1.81512497 1 [/CIF]
MnSe2Sr
F-43m
216
cubic
-43m
5,214.61524
false
[CIF] data_TcNi4Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69901265 _cell_length_b 4.69901265 _cell_length_c 4.69901265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNi4Ge _chemical_formula_sum 'Tc1 Ni4 Ge1' _cell_volume 73.36768989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 2.49389029 4.15151713 2.49389029 1 Ni Ni2 1 4.15151713 2.49389029 2.49389029 1 Ni Ni3 1 4.15151713 4.15151713 4.15151713 1 Ni Ni4 1 2.49389029 2.49389029 4.15151713 1 Tc Tc5 1 1.66135186 1.66135186 1.66135186 1 [/CIF]
GeNi4Tc
F-43m
216
cubic
-43m
9,196.281121
false
[CIF] data_Ba2CuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56730243 _cell_length_b 5.56730243 _cell_length_c 5.56730243 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CuTc _chemical_formula_sum 'Ba2 Cu1 Tc1' _cell_volume 122.01674733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.90501595 5.90501595 5.90501595 1 Ba Ba1 1 1.96833865 1.96833865 1.96833865 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.93667730 3.93667730 3.93667730 1 [/CIF]
Ba2CuTc
Fm-3m
225
cubic
m-3m
5,948.625392
false
[CIF] data_Mg2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37776831 _cell_length_b 4.37776831 _cell_length_c 4.37776831 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Rh _chemical_formula_sum 'Mg2 Rh1' _cell_volume 59.32576160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54777483 1.54777483 1.54777483 1 Mg Mg1 1 4.64332449 4.64332449 4.64332449 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg8Rh4
Fm-3m
225
cubic
m-3m
4,240.946937
false
[CIF] data_CsEu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46441988 _cell_length_b 4.46441988 _cell_length_c 8.00863100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsEu _chemical_formula_sum 'Cs1 Eu1' _cell_volume 138.23530759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 0.00000000 0.00000000 1 Eu Eu1 1 2.23220994 1.28876701 4.00431550 1 [/CIF]
CsEu
P-6m2
187
hexagonal
-6m2
3,421.968337
false
[CIF] data_ZnW2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72238474 _cell_length_b 2.72238474 _cell_length_c 8.58843909 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnW2Au _chemical_formula_sum 'Zn1 W2 Au1' _cell_volume 63.65217430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.29421954 1 W W1 1 1.36119237 1.36119237 6.52605590 1 W W2 1 1.36119237 1.36119237 2.06238319 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuW2Zn
P4/mmm
123
tetragonal
4/mmm
16,435.94649
false
[CIF] data_BPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94515159 _cell_length_b 6.94515159 _cell_length_c 3.21878112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 148.62097453 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPb _chemical_formula_sum 'B2 Pb2' _cell_volume 80.84256611 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.87813729 0.05761818 0.80469528 1 B B1 1 1.87813729 -0.05761818 2.41408584 1 Pb Pb2 1 1.87813729 -4.71756084 0.80469528 1 Pb Pb3 1 1.87813729 4.71756084 2.41408584 1 [/CIF]
B2Pb2
Cmcm
63
orthorhombic
mmm
8,956.068563
false
[CIF] data_Hf2TaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92822473 _cell_length_b 2.92822473 _cell_length_c 9.54064858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.39348338 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TaW _chemical_formula_sum 'Hf2 Ta1 W1' _cell_volume 76.67880676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.67131432 0.00000000 7.05836282 1 Hf Hf1 1 1.67131432 0.00000000 2.48228576 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 4.77032429 1 [/CIF]
Hf2TaW
Cmmm
65
orthorhombic
mmm
15,630.443566
false
[CIF] data_Sr3GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93034374 _cell_length_b 5.93034374 _cell_length_c 5.93034374 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3GeBi _chemical_formula_sum 'Sr3 Ge1 Bi1' _cell_volume 208.56412185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 2.96517187 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 2.96517187 1 Sr Sr2 1 2.96517187 0.00000000 0.00000000 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 Bi Bi4 1 2.96517187 2.96517187 2.96517187 1 [/CIF]
BiGeSr3
Pm-3m
221
cubic
m-3m
4,335.026404
false
[CIF] data_HfAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53575084 _cell_length_b 6.65956800 _cell_length_c 3.82635222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAs2 _chemical_formula_sum 'Hf2 As4' _cell_volume 141.06118805 _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 As As0 1 0.96664899 4.09289650 0.00000000 1 As As1 1 4.56910185 2.56667150 0.00000000 1 As As2 1 3.73452441 5.89645550 1.91317611 1 As As3 1 1.80122643 0.76311250 1.91317611 1 Hf Hf4 1 0.00000000 0.00000000 0.00000000 1 Hf Hf5 1 2.76787542 3.32978400 1.91317611 1 [/CIF]
As4Hf2
Pnnm
58
orthorhombic
mmm
7,730.122127
false
[CIF] data_ZrCuBiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67839448 _cell_length_b 4.67839448 _cell_length_c 4.67839448 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCuBiOs _chemical_formula_sum 'Zr1 Cu1 Bi1 Os1' _cell_volume 72.40616022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30812446 3.30812446 3.30812446 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.96218669 4.96218669 4.96218669 1 Zr Zr3 1 1.65406223 1.65406223 1.65406223 1 [/CIF]
BiCuOsZr
F-43m
216
cubic
-43m
12,704.804308
false
[CIF] data_CaCrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90302372 _cell_length_b 8.90302372 _cell_length_c 8.90302372 _cell_angle_alpha 18.86386505 _cell_angle_beta 18.86386505 _cell_angle_gamma 18.86386505 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCrRh2 _chemical_formula_sum 'Ca1 Cr1 Rh2' _cell_volume 64.46362793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 -0.00000000 -0.00000000 13.11326296 1 Rh Rh2 1 -0.00000000 0.00000000 19.93096875 1 Rh Rh3 1 0.00000000 0.00000000 6.29555717 1 [/CIF]
CaCrRh2
R-3m
166
trigonal
-3m
7,673.316884
false
[CIF] data_LaZr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.06340934 _cell_length_b 10.06340934 _cell_length_c 10.06340934 _cell_angle_alpha 19.37742033 _cell_angle_beta 19.37742033 _cell_angle_gamma 19.37742033 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZr2Au _chemical_formula_sum 'La1 Zr2 Au1' _cell_volume 98.08666211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.80734246 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 -0.00000000 -0.00000000 22.49709540 1 Zr Zr3 1 -0.00000000 0.00000000 7.11758953 1 [/CIF]
AuLaZr2
R-3m
166
trigonal
-3m
8,774.798275
false
[CIF] data_YIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93134982 _cell_length_b 3.93134982 _cell_length_c 8.90175703 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YIn _chemical_formula_sum 'Y2 In2' _cell_volume 119.14882049 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.96567491 1.13488294 6.67631777 1 In In1 1 0.00000000 2.26976588 2.22543926 1 Y Y2 1 0.00000000 0.00000000 4.45087852 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2Y2
P6_3/mmc
194
hexagonal
6/mmm
5,678.468498
false
[CIF] data_BeNbCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95313107 _cell_length_b 3.95313107 _cell_length_c 3.95313107 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbCu _chemical_formula_sum 'Be1 Nb1 Cu1' _cell_volume 43.68261671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39764290 1.39764290 1.39764290 1 Nb Nb2 1 2.79528579 2.79528579 2.79528579 1 [/CIF]
BeCuNb
F-43m
216
cubic
-43m
6,289.924689
false
[CIF] data_Be2GeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35794746 _cell_length_b 4.35794746 _cell_length_c 4.35794746 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2GeCl _chemical_formula_sum 'Be2 Ge1 Cl1' _cell_volume 58.52359171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54076710 1.54076710 1.54076710 1 Be Be1 1 4.62230130 4.62230130 4.62230130 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 3.08153420 3.08153420 3.08153420 1 [/CIF]
Be2ClGe
Fm-3m
225
cubic
m-3m
3,578.433992
false
[CIF] data_Mn2CdNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52547236 _cell_length_b 4.52547236 _cell_length_c 4.52547236 _cell_angle_alpha 131.02097701 _cell_angle_beta 131.02097701 _cell_angle_gamma 71.77975310 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CdNi _chemical_formula_sum 'Mn2 Cd1 Ni1' _cell_volume 51.60830026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 -0.00000000 1.87592894 1.83314493 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 1.87592894 0.00000000 1.83314493 1 Ni Ni3 1 -0.00000000 0.00000000 3.66628986 1 [/CIF]
CdMn2Ni
I-4m2
119
tetragonal
-42m
9,040.775965
false
[CIF] data_CrCdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50520032 _cell_length_b 6.50520032 _cell_length_c 6.50520032 _cell_angle_alpha 152.12608150 _cell_angle_beta 152.12608150 _cell_angle_gamma 39.82921010 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCdHg _chemical_formula_sum 'Cr1 Cd1 Hg1' _cell_volume 60.05804521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 12.10340844 1 Cr Cr1 1 -0.00000000 0.00000000 4.06414580 1 Hg Hg2 1 0.00000000 0.00000000 8.29723775 1 [/CIF]
CdCrHg
I4mm
107
tetragonal
4mm
10,091.769415
false
[CIF] data_LaZrAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83837763 _cell_length_b 4.83837763 _cell_length_c 4.83837763 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrAs _chemical_formula_sum 'La1 Zr1 As1' _cell_volume 80.09110508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.13187445 5.13187445 5.13187445 1 Zr Zr2 1 1.71062481 1.71062481 1.71062482 1 [/CIF]
AsLaZr
F-43m
216
cubic
-43m
6,324.662627
false
[CIF] data_AsP2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07129010 _cell_length_b 3.18148664 _cell_length_c 6.82447145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsP2Ir _chemical_formula_sum 'As1 P2 Ir1' _cell_volume 66.68374237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.84392531 1 Ir Ir1 1 1.53564505 1.59074332 5.28075772 1 P P2 1 0.00000000 0.00000000 0.10178972 1 P P3 1 1.53564505 1.59074332 1.01023443 1 [/CIF]
AsIrP2
Pmm2
25
orthorhombic
mm2
8,194.806497
false
[CIF] data_ScCdIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67665526 _cell_length_b 5.67665526 _cell_length_c 5.67665526 _cell_angle_alpha 133.93955997 _cell_angle_beta 133.93955997 _cell_angle_gamma 67.18242529 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCdIn2 _chemical_formula_sum 'Sc1 Cd1 In2' _cell_volume 93.28681167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 4.72868848 1 In In1 1 0.00000000 2.22080168 2.36434424 1 In In2 1 2.22080168 -0.00000000 2.36434424 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdIn2Sc
I4/mmm
139
tetragonal
4/mmm
6,888.792132
false
[CIF] data_Co5Br3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98525716 _cell_length_b 8.98525716 _cell_length_c 4.25779334 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co5Br3 _chemical_formula_sum 'Co10 Br6' _cell_volume 297.69821626 _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 Br Br0 1 -1.53630790 2.66096333 3.19334501 1 Br Br1 1 -2.95632068 5.12049763 1.06444834 1 Br Br2 1 2.95632068 5.12049763 3.19334501 1 Br Br3 1 3.07261579 0.00000000 3.19334501 1 Br Br4 1 5.91264137 0.00000000 1.06444834 1 Br Br5 1 1.53630790 2.66096333 1.06444834 1 Co Co6 1 4.49262858 2.59382032 2.12889667 1 Co Co7 1 -0.00000000 5.18764064 0.00000000 1 Co Co8 1 -0.00000000 5.18764064 2.12889667 1 Co Co9 1 4.49262858 2.59382032 0.00000000 1 Co Co10 1 -3.79003120 6.56452661 3.19334501 1 Co Co11 1 -0.70259738 1.21693435 1.06444834 1 Co Co12 1 0.70259738 1.21693435 3.19334501 1 Co Co13 1 7.58006241 0.00000000 3.19334501 1 Co Co14 1 1.40519475 0.00000000 1.06444834 1 Co Co15 1 3.79003120 6.56452661 1.06444834 1 [/CIF]
Br6Co10
P6_3/mcm
193
hexagonal
6/mmm
5,961.443202
false
[CIF] data_TcBPb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16564583 _cell_length_b 6.16564583 _cell_length_c 6.16564583 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBPb4 _chemical_formula_sum 'Tc1 B1 Pb4' _cell_volume 165.73747785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.44649630 5.44649630 3.27304366 1 Pb Pb2 1 5.44649630 3.27304366 5.44649630 1 Pb Pb3 1 3.27304366 5.44649630 5.44649630 1 Pb Pb4 1 3.27304366 3.27304366 3.27304366 1 Tc Tc5 1 6.53965497 6.53965497 6.53965497 1 [/CIF]
BPb4Tc
F-43m
216
cubic
-43m
9,403.09033
false
[CIF] data_Zr2ScSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45810840 _cell_length_b 4.92282198 _cell_length_c 5.51116008 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.23133244 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ScSe _chemical_formula_sum 'Zr2 Sc1 Se1' _cell_volume 89.11040789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 -0.86209525 0.00000000 2.61725297 1 Zr Zr2 1 -0.01050340 2.46141099 3.86223090 1 Zr Zr3 1 1.74442130 2.46141099 1.37227504 1 [/CIF]
ScSeZr2
P2/m
10
monoclinic
2/m
5,708.976724
false
[CIF] data_Nb4TlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54094782 _cell_length_b 5.54094782 _cell_length_c 5.54094782 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4TlCd _chemical_formula_sum 'Nb4 Tl1 Cd1' _cell_volume 120.29212142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 4.90383898 4.90383898 2.93224458 1 Nb Nb2 1 4.90383898 2.93224458 4.90383898 1 Nb Nb3 1 2.93224458 4.90383898 4.90383898 1 Nb Nb4 1 2.93224458 2.93224458 2.93224458 1 Tl Tl5 1 5.87706267 5.87706267 5.87706267 1 [/CIF]
CdNb4Tl
F-43m
216
cubic
-43m
9,503.099553
false
[CIF] data_AlSe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83747536 _cell_length_b 4.83747536 _cell_length_c 4.83747536 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSe2Cl _chemical_formula_sum 'Al1 Se2 Cl1' _cell_volume 80.04630689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.71030582 1.71030582 1.71030581 1 Se Se2 1 3.42061163 3.42061163 3.42061163 1 Se Se3 1 5.13091744 5.13091744 5.13091744 1 [/CIF]
AlClSe2
F-43m
216
cubic
-43m
4,571.195525
false
[CIF] data_Bi4Os3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32994862 _cell_length_b 5.32994862 _cell_length_c 6.54268442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi4Os3 _chemical_formula_sum 'Bi4 Os3' _cell_volume 160.96544306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.82143651 1 Bi Bi1 1 0.00000000 0.00000000 1.72124791 1 Bi Bi2 1 -0.00000000 3.07724727 0.00000000 1 Bi Bi3 1 2.66497431 1.53862363 0.00000000 1 Os Os4 1 1.33248715 2.30793545 3.27134221 1 Os Os5 1 2.66497431 0.00000000 3.27134221 1 Os Os6 1 -1.33248715 2.30793545 3.27134221 1 [/CIF]
Bi4Os3
P6/mmm
191
hexagonal
6/mmm
14,510.776162
false
[CIF] data_CeHo2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25452605 _cell_length_b 6.25452605 _cell_length_c 6.25452605 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeHo2Fe _chemical_formula_sum 'Ce1 Ho2 Fe1' _cell_volume 173.00880987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 4.42261778 4.42261778 4.42261778 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ho Ho2 1 2.21130889 2.21130889 2.21130889 1 Ho Ho3 1 6.63392667 6.63392667 6.63392667 1 [/CIF]
CeFeHo2
Fm-3m
225
cubic
m-3m
5,046.837649
false
[CIF] data_VGaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77040258 _cell_length_b 2.77040258 _cell_length_c 6.82520361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGaMo _chemical_formula_sum 'V1 Ga1 Mo1' _cell_volume 45.36615880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000001 1.59949268 6.79240209 1 Mo Mo1 1 1.38520127 0.79974634 2.25904309 1 V V2 1 0.00000000 0.00000000 4.59896211 1 [/CIF]
GaMoV
P3m1
156
trigonal
3m
7,929.113998
false
[CIF] data_TlZn4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11458154 _cell_length_b 5.11458154 _cell_length_c 5.11458154 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn4Ir _chemical_formula_sum 'Tl1 Zn4 Ir1' _cell_volume 94.60526850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 1.80827764 1.80827764 1.80827764 1 Zn Zn2 1 2.70618787 2.70618787 4.52692271 1 Zn Zn3 1 2.70618787 4.52692271 2.70618787 1 Zn Zn4 1 4.52692271 2.70618787 2.70618787 1 Zn Zn5 1 4.52692271 4.52692271 4.52692271 1 [/CIF]
IrTlZn4
F-43m
216
cubic
-43m
11,551.518071
false
[CIF] data_K2FeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91721770 _cell_length_b 4.91721770 _cell_length_c 4.91721770 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2FeRu _chemical_formula_sum 'K2 Fe1 Ru1' _cell_volume 84.07043814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47699798 3.47699798 3.47699798 1 K K1 1 0.00000000 0.00000000 0.00000000 1 K K2 1 5.21549697 5.21549697 5.21549697 1 Ru Ru3 1 1.73849899 1.73849899 1.73849899 1 [/CIF]
FeK2Ru
F-43m
216
cubic
-43m
4,643.867755
false
[CIF] data_LaTcOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73211061 _cell_length_b 4.73211061 _cell_length_c 4.73211061 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTcOsPt _chemical_formula_sum 'La1 Tc1 Os1 Pt1' _cell_volume 74.92895294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.34610750 3.34610750 3.34610750 1 Os Os1 1 1.67305375 1.67305375 1.67305375 1 Pt Pt2 1 5.01916125 5.01916125 5.01916125 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaOsPtTc
F-43m
216
cubic
-43m
13,809.408484
false
[CIF] data_Na2InB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67799704 _cell_length_b 4.67799704 _cell_length_c 4.67799704 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2InB _chemical_formula_sum 'Na2 In1 B1' _cell_volume 72.38770888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.96176515 4.96176515 4.96176515 1 Na Na2 1 3.30784343 3.30784343 3.30784343 1 Na Na3 1 1.65392172 1.65392172 1.65392172 1 [/CIF]
BInNa2
F-43m
216
cubic
-43m
3,936.68958
false
[CIF] data_LiMoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75607224 _cell_length_b 3.80632485 _cell_length_c 5.38202399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMoOs2 _chemical_formula_sum 'Li1 Mo1 Os2' _cell_volume 56.46015633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 0.00000000 2.69101200 1 Os Os2 1 1.37803612 1.90316243 4.13272097 1 Os Os3 1 1.37803612 1.90316243 1.24930302 1 [/CIF]
LiMoOs2
Pmmm
47
orthorhombic
mmm
14,216.039697
false
[CIF] data_MgMnCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67747116 _cell_length_b 4.67747116 _cell_length_c 4.67747116 _cell_angle_alpha 131.96844772 _cell_angle_beta 131.96844772 _cell_angle_gamma 70.27886485 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnCu2 _chemical_formula_sum 'Mg1 Mn1 Cu2' _cell_volume 55.44718219 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 -0.00000000 3.82501977 1 Cu Cu1 1 -0.00000000 1.90367542 1.91250989 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 1.90367542 -0.00000000 1.91250989 1 [/CIF]
Cu2MgMn
I-4m2
119
tetragonal
-42m
6,179.347435
false
[CIF] data_PdRhBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21386129 _cell_length_b 5.21386129 _cell_length_c 3.57773446 _cell_angle_alpha 109.54426873 _cell_angle_beta 109.54426873 _cell_angle_gamma 95.18400843 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdRhBr2 _chemical_formula_sum 'Pd1 Rh1 Br2' _cell_volume 84.10374910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75812819 1.92485653 0.00000000 1 Br Br1 1 1.75812819 -1.92485652 0.00000000 1 Pd Pd2 1 3.51625639 0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2PdRh
C2/m
12
monoclinic
2/m
7,288.148318
false
[CIF] data_KZnGaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92030572 _cell_length_b 4.92030572 _cell_length_c 4.92030572 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnGaPd _chemical_formula_sum 'K1 Zn1 Ga1 Pd1' _cell_volume 84.22892672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47918154 3.47918154 3.47918154 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 5.21877231 5.21877231 5.21877231 1 Zn Zn3 1 1.73959077 1.73959077 1.73959077 1 [/CIF]
GaKPdZn
F-43m
216
cubic
-43m
5,532.334908
false
[CIF] data_KCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58567884 _cell_length_b 3.58567884 _cell_length_c 7.40950433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu2Sn _chemical_formula_sum 'K1 Cu2 Sn1' _cell_volume 95.26468436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.79283942 1.79283942 4.94758523 1 Cu Cu1 1 1.79283942 1.79283942 2.46191910 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 3.70475216 1 [/CIF]
Cu2KSn
P4/mmm
123
tetragonal
4/mmm
4,966.038374
false
[CIF] data_LiBeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17242561 _cell_length_b 4.17242561 _cell_length_c 6.78078700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeSb _chemical_formula_sum 'Li2 Be2 Sb2' _cell_volume 102.23225442 _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 Li Li0 1 0.00000000 0.00000000 4.42512803 1 Li Li1 1 0.00000000 0.00000000 1.03473453 1 Be Be2 1 2.08621280 1.20447552 3.43939147 1 Be Be3 1 0.00000000 2.40895105 0.04899797 1 Sb Sb4 1 2.08621280 1.20447552 6.03608707 1 Sb Sb5 1 0.00000000 2.40895105 2.64569357 1 [/CIF]
Be2Li2Sb2
P6_3mc
186
hexagonal
6mm
4,473.698334
false
[CIF] data_ZrBi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23290962 _cell_length_b 5.23290962 _cell_length_c 3.62222470 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.35024510 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBi2P _chemical_formula_sum 'Zr1 Bi2 P1' _cell_volume 96.09381309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60454111 -2.06670840 1.81111235 1 Bi Bi1 1 1.60454111 2.06670839 1.81111235 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.20908222 0.00000000 0.00000000 1 [/CIF]
Bi2PZr
Cmmm
65
orthorhombic
mmm
9,334.153423
false
[CIF] data_SnS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89536211 _cell_length_b 6.32636888 _cell_length_c 3.77093205 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnS2 _chemical_formula_sum 'Sn2 S4' _cell_volume 140.64156937 _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 S S0 1 1.49708547 4.07549289 0.00000000 1 S S1 1 4.39827664 2.25087599 0.00000000 1 S S2 1 4.44476652 5.41406043 1.88546602 1 S S3 1 1.45059559 0.91230845 1.88546602 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 Sn Sn5 1 2.94768106 3.16318444 1.88546602 1 [/CIF]
S4Sn2
Pnnm
58
orthorhombic
mmm
4,317.542307
false
[CIF] data_NaScPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41107790 _cell_length_b 6.41107790 _cell_length_c 6.41107790 _cell_angle_alpha 149.22634929 _cell_angle_beta 149.22634929 _cell_angle_gamma 44.07823766 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScPd _chemical_formula_sum 'Na1 Sc1 Pd1' _cell_volume 68.78382077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.66522343 1 Pd Pd1 1 0.00000000 -0.00000000 3.71193251 1 Sc Sc2 1 -0.00000000 0.00000000 8.39327130 1 [/CIF]
NaPdSc
I4mm
107
tetragonal
4mm
4,209.435044
false
[CIF] data_V2CdOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04527125 _cell_length_b 3.04527125 _cell_length_c 6.67516072 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CdOs _chemical_formula_sum 'V2 Cd1 Os1' _cell_volume 61.90328435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 3.32050443 1 Os Os1 1 1.52263562 1.52263562 5.31130436 1 V V2 1 0.00000000 0.00000000 6.65248553 1 V V3 1 1.52263562 1.52263562 1.40360747 1 [/CIF]
CdOsV2
P4mm
99
tetragonal
4mm
10,851.248241
false
[CIF] data_La2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52613650 _cell_length_b 3.52613650 _cell_length_c 7.16835196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CoRu _chemical_formula_sum 'La2 Co1 Ru1' _cell_volume 89.12869775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.76306825 1.76306825 1.78458265 1 La La2 1 1.76306825 1.76306825 5.38376931 1 Ru Ru3 1 0.00000000 0.00000000 3.58417598 1 [/CIF]
CoLa2Ru
P4/mmm
123
tetragonal
4/mmm
8,156.828198
false
[CIF] data_KGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70015699 _cell_length_b 8.70015699 _cell_length_c 6.29750180 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 158.86803902 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGa2 _chemical_formula_sum 'K2 Ga4' _cell_volume 171.84956622 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.59532776 -5.09803799 4.72312635 1 Ga Ga1 1 1.59532776 1.17500247 4.72312635 1 Ga Ga2 1 1.59532776 5.09803799 1.57437545 1 Ga Ga3 1 1.59532776 -1.17500247 1.57437545 1 K K4 1 1.59532776 6.59259414 4.72312635 1 K K5 1 1.59532776 -6.59259414 1.57437545 1 [/CIF]
Ga4K2
Cmcm
63
orthorhombic
mmm
3,450.457185
false
[CIF] data_LiTc2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96150236 _cell_length_b 4.96150236 _cell_length_c 4.96150236 _cell_angle_alpha 137.12362117 _cell_angle_beta 137.12362117 _cell_angle_gamma 62.24790036 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTc2Pt _chemical_formula_sum 'Li1 Tc2 Pt1' _cell_volume 55.86857373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 4.24729952 1 Tc Tc2 1 -0.00000000 1.81341562 2.12364976 1 Tc Tc3 1 1.81341562 -0.00000000 2.12364976 1 [/CIF]
LiPtTc2
I4/mmm
139
tetragonal
4/mmm
11,884.062518
false
[CIF] data_MoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27844708 _cell_length_b 4.27844708 _cell_length_c 4.92210361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAu _chemical_formula_sum 'Mo2 Au2' _cell_volume 78.02858156 _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 Au Au0 1 2.13922354 1.23508129 3.69157771 1 Au Au1 1 0.00000000 2.47016257 1.23052590 1 Mo Mo2 1 0.00000000 0.00000000 2.46105180 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2Mo2
P6_3/mmc
194
hexagonal
6/mmm
12,467.636903
false
[CIF] data_HfTaTcOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55293454 _cell_length_b 4.55293454 _cell_length_c 4.55293454 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaTcOs _chemical_formula_sum 'Hf1 Ta1 Tc1 Os1' _cell_volume 66.73585394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.82911634 4.82911634 4.82911634 1 Os Os1 1 3.21941089 3.21941089 3.21941089 1 Ta Ta2 1 1.60970545 1.60970545 1.60970544 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfOsTaTc
F-43m
216
cubic
-43m
16,137.990809
false
[CIF] data_Ba2MgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88259724 _cell_length_b 5.88259724 _cell_length_c 5.88259724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MgGe _chemical_formula_sum 'Ba2 Mg1 Ge1' _cell_volume 143.94359562 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07981220 2.07981220 2.07981220 1 Ba Ba1 1 6.23943660 6.23943660 6.23943660 1 Ge Ge2 1 4.15962440 4.15962440 4.15962440 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2GeMg
Fm-3m
225
cubic
m-3m
4,286.780902
false
[CIF] data_CaTaMnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62821486 _cell_length_b 4.62821486 _cell_length_c 4.62821486 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaMnAu _chemical_formula_sum 'Ca1 Ta1 Mn1 Au1' _cell_volume 70.10121391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63632106 1.63632106 1.63632105 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 3.27264211 3.27264211 3.27264211 1 Ta Ta3 1 4.90896317 4.90896317 4.90896317 1 [/CIF]
AuCaMnTa
F-43m
216
cubic
-43m
11,202.652812
false
[CIF] data_TcAsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19686462 _cell_length_b 3.19686462 _cell_length_c 6.63966858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAsAu2 _chemical_formula_sum 'Tc1 As1 Au2' _cell_volume 67.85703686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69454029 1 Au Au1 1 1.59843231 1.59843231 6.60505121 1 Au Au2 1 0.00000000 0.00000000 1.73669734 1 Tc Tc3 1 1.59843231 1.59843231 3.56288261 1 [/CIF]
AsAu2Tc
P4mm
99
tetragonal
4mm
13,893.796992
false
[CIF] data_HfZr2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99801749 _cell_length_b 4.99801749 _cell_length_c 4.99801749 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr2Sn _chemical_formula_sum 'Hf1 Zr2 Sn1' _cell_volume 88.28325089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53413206 3.53413206 3.53413206 1 Sn Sn1 1 0.00000000 -0.00000000 0.00000000 1 Zr Zr2 1 1.76706603 1.76706603 1.76706603 1 Zr Zr3 1 5.30119809 5.30119809 5.30119809 1 [/CIF]
HfSnZr2
Fm-3m
225
cubic
m-3m
9,021.804637
false
[CIF] data_Al2SbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73608851 _cell_length_b 4.73608851 _cell_length_c 4.73608851 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SbPt _chemical_formula_sum 'Al2 Sb1 Pt1' _cell_volume 75.11807183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.02338045 5.02338045 5.02338045 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.67446015 1.67446015 1.67446015 1 Sb Sb3 1 3.34892030 3.34892030 3.34892030 1 [/CIF]
Al2PtSb
F-43m
216
cubic
-43m
8,196.957441
false
[CIF] data_Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90650413 _cell_length_b 3.90650413 _cell_length_c 3.90650413 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca _chemical_formula_sum Ca1 _cell_volume 42.15507477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Ca
Fm-3m
225
cubic
m-3m
1,578.750034
false
[CIF] data_AlCr2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.57005963 _cell_length_b 2.57005963 _cell_length_c 8.28129445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCr2Mo _chemical_formula_sum 'Al1 Cr2 Mo1' _cell_volume 54.69965994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.28502981 1.28502981 1.94778323 1 Cr Cr2 1 1.28502981 1.28502981 6.33351122 1 Mo Mo3 1 0.00000000 0.00000000 4.14064723 1 [/CIF]
AlCr2Mo
P4/mmm
123
tetragonal
4/mmm
6,889.116657
false
[CIF] data_LaNi2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14001950 _cell_length_b 3.14001950 _cell_length_c 6.64028013 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.08670162 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNi2Ru _chemical_formula_sum 'La1 Ni2 Ru1' _cell_volume 65.37633307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 3.32014006 1 Ni Ni1 1 2.15972284 0.00000000 5.41868021 1 Ni Ni2 1 2.15972284 0.00000000 1.22159992 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaNi2Ru
Cmmm
65
orthorhombic
mmm
9,076.893463
false
[CIF] data_ZrBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89300400 _cell_length_b 2.89300400 _cell_length_c 7.51315964 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBe _chemical_formula_sum 'Zr2 Be2' _cell_volume 62.88118032 _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 1.44650200 0.00000000 4.24695729 1 Be Be1 1 0.00000000 1.44650200 3.26620235 1 Zr Zr2 1 1.44650200 0.00000000 1.30668286 1 Zr Zr3 1 0.00000000 1.44650200 6.20647678 1 [/CIF]
Be2Zr2
P4/nmm
129
tetragonal
4/mmm
5,293.987653
false
[CIF] data_HfFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47163364 _cell_length_b 4.47163364 _cell_length_c 5.03695401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFe2 _chemical_formula_sum 'Hf2 Fe4' _cell_volume 87.22300542 _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 Fe Fe0 1 0.00000000 0.00000000 2.51847700 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 -0.00000000 2.58169889 1.25923850 1 Fe Fe3 1 2.23581682 1.29084944 3.77771551 1 Hf Hf4 1 -0.00000000 2.58169889 3.77771551 1 Hf Hf5 1 2.23581682 1.29084944 1.25923850 1 [/CIF]
Fe4Hf2
P6_3/mmc
194
hexagonal
6/mmm
11,048.810295
false
[CIF] data_CaVFeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62559528 _cell_length_b 4.62559528 _cell_length_c 4.62559528 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaVFeHg _chemical_formula_sum 'Ca1 V1 Fe1 Hg1' _cell_volume 69.98224911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 3.27078979 3.27078979 3.27078979 1 Hg Hg2 1 1.63539490 1.63539490 1.63539490 1 V V3 1 4.90618469 4.90618469 4.90618469 1 [/CIF]
CaFeHgV
F-43m
216
cubic
-43m
8,244.401665
false
[CIF] data_MgZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52400676 _cell_length_b 4.52400676 _cell_length_c 4.52400676 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnHg _chemical_formula_sum 'Mg1 Zn1 Hg1' _cell_volume 65.47186897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19895586 3.19895586 3.19895586 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.79843379 4.79843379 4.79843379 1 [/CIF]
HgMgZn
F-43m
216
cubic
-43m
7,362.138658
false
[CIF] data_CrFe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99021928 _cell_length_b 2.99021928 _cell_length_c 5.67770570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFe2W _chemical_formula_sum 'Cr1 Fe2 W1' _cell_volume 50.76670198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.33487135 1 Fe Fe1 1 1.49510964 1.49510964 5.67505472 1 Fe Fe2 1 0.00000000 0.00000000 1.34950730 1 W W3 1 1.49510964 1.49510964 2.83483088 1 [/CIF]
CrFe2W
P4mm
99
tetragonal
4mm
11,367.343795
false
[CIF] data_LiTaFeSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46860865 _cell_length_b 4.46860865 _cell_length_c 4.46860865 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaFeSn _chemical_formula_sum 'Li1 Ta1 Fe1 Sn1' _cell_volume 63.09602040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57989174 1.57989174 1.57989174 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 4.73967522 4.73967522 4.73967522 1 Ta Ta3 1 3.15978348 3.15978348 3.15978348 1 [/CIF]
FeLiSnTa
F-43m
216
cubic
-43m
9,538.671669
false
[CIF] data_HfTlVIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98627133 _cell_length_b 4.98627133 _cell_length_c 4.98627133 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlVIn _chemical_formula_sum 'Hf1 Tl1 V1 In1' _cell_volume 87.66227222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.28873941 5.28873941 5.28873941 1 In In1 1 3.52582627 3.52582627 3.52582627 1 Tl Tl2 1 1.76291314 1.76291314 1.76291314 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfInTlV
F-43m
216
cubic
-43m
10,392.454754
false
[CIF] data_CaGe3I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63264620 _cell_length_b 5.63264620 _cell_length_c 5.63264620 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGe3I _chemical_formula_sum 'Ca1 Ge3 I1' _cell_volume 178.70529430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.81632310 2.81632310 2.81632310 1 Ge Ge1 1 0.00000000 2.81632310 0.00000000 1 Ge Ge2 1 0.00000000 0.00000000 2.81632310 1 Ge Ge3 1 2.81632310 0.00000000 0.00000000 1 Ca Ca4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaGe3I
Pm-3m
221
cubic
m-3m
3,576.534152
false
[CIF] data_BeRe2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29949115 _cell_length_b 4.29949115 _cell_length_c 4.29949115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeRe2Ag _chemical_formula_sum 'Be1 Re2 Ag1' _cell_volume 56.19998260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04019935 3.04019935 3.04019935 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.56029903 4.56029903 4.56029903 1 Re Re3 1 1.52009968 1.52009968 1.52009967 1 [/CIF]
AgBeRe2
Fm-3m
225
cubic
m-3m
14,457.165265
false
[CIF] data_MgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36583078 _cell_length_b 7.36583078 _cell_length_c 3.97737936 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTe _chemical_formula_sum 'Mg3 Te3' _cell_volume 186.88357006 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 3.68291539 2.12633219 1.98868968 1 Mg Mg2 1 -0.00000000 4.25266438 1.98868968 1 Te Te3 1 -1.37290911 2.37794834 0.00000000 1 Te Te4 1 2.31000627 4.00104823 0.00000000 1 Te Te5 1 2.74581823 0.00000000 0.00000000 1 [/CIF]
Mg3Te3
P-62m
189
hexagonal
-6m2
4,049.243745
false
[CIF] data_SrTaBeZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84717228 _cell_length_b 4.84717228 _cell_length_c 4.84717228 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaBeZn _chemical_formula_sum 'Sr1 Ta1 Be1 Zn1' _cell_volume 80.52864103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 3.42746839 3.42746839 3.42746839 1 Ta Ta2 1 1.71373420 1.71373420 1.71373420 1 Zn Zn3 1 5.14120259 5.14120259 5.14120259 1 [/CIF]
BeSrTaZn
F-43m
216
cubic
-43m
7,072.000395
false
[CIF] data_ZrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32455532 _cell_length_b 6.32455532 _cell_length_c 9.38083152 _cell_angle_alpha 127.35702948 _cell_angle_beta 127.35702948 _cell_angle_gamma 25.84193276 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi _chemical_formula_sum 'Zr4 Ni4' _cell_volume 128.00000000 _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 Ni Ni0 1 2.91998558 0.00000000 5.04714615 1 Ni Ni1 1 -0.97332853 -0.00000000 4.12948321 1 Ni Ni2 1 7.46218537 -0.00000000 3.21182027 1 Ni Ni3 1 3.56887126 0.00000000 2.29415734 1 Zr Zr4 1 -0.32444284 -0.00000000 1.37649440 1 Zr Zr5 1 8.11107106 0.00000000 0.45883147 1 Zr Zr6 1 -1.62221421 -0.00000000 6.88247202 1 Zr Zr7 1 6.81329969 -0.00000000 5.96480908 1 [/CIF]
Ni4Zr4
C2/m
12
monoclinic
2/m
7,779.490608
false
[CIF] data_NaZrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74694442 _cell_length_b 5.74694442 _cell_length_c 5.74694442 _cell_angle_alpha 141.15673984 _cell_angle_beta 102.88890821 _cell_angle_gamma 89.88964561 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrSe2 _chemical_formula_sum 'Na1 Zr1 Se2' _cell_volume 111.36949975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 0.00000000 3.58191558 1.83837036 1 Se Se2 1 1.91095781 -0.00000000 2.22924457 1 Zr Zr3 1 -0.00000000 -0.00000000 4.06761493 1 [/CIF]
NaSe2Zr
Immm
71
orthorhombic
mmm
4,057.562944
false
[CIF] data_GaReNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01644277 _cell_length_b 5.01644277 _cell_length_c 5.01644277 _cell_angle_alpha 148.83331917 _cell_angle_beta 128.37040339 _cell_angle_gamma 61.54892012 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaReNi2 _chemical_formula_sum 'Ga1 Re1 Ni2' _cell_volume 50.75256193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 6.57530389 1 Ni Ni1 1 -0.00000000 2.18447832 4.29449760 1 Ni Ni2 1 -0.00000000 0.00000000 2.08002489 1 Re Re3 1 1.34761596 0.00000000 4.29044450 1 [/CIF]
GaNi2Re
Imm2
44
orthorhombic
mm2
12,214.302235
false
[CIF] data_LiMn2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97591610 _cell_length_b 3.89150074 _cell_length_c 5.67294843 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.30953385 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2Sn _chemical_formula_sum 'Li1 Mn2 Sn1' _cell_volume 65.58759787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.24042316 0.00000000 4.33038938 1 Mn Mn1 1 2.93667508 1.94575037 0.02274910 1 Mn Mn2 1 1.41051152 0.00000000 1.35244369 1 Sn Sn3 1 -0.12702781 1.94575037 2.78964861 1 [/CIF]
LiMn2Sn
Pm
6
monoclinic
m
5,963.047083
false
[CIF] data_OsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01285768 _cell_length_b 3.01285768 _cell_length_c 4.07460422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsSe _chemical_formula_sum 'Os1 Se1' _cell_volume 32.03120651 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73947419 2.03730211 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsSe
P-6m2
187
hexagonal
-6m2
13,955.155084
false
[CIF] data_ZrTe4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02910278 _cell_length_b 6.02910278 _cell_length_c 6.02910278 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTe4Ru _chemical_formula_sum 'Zr1 Te4 Ru1' _cell_volume 154.96836983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.13160973 2.13160973 2.13160973 1 Te Te1 1 3.20183206 3.20183206 5.32460686 1 Te Te2 1 3.20183206 5.32460686 3.20183206 1 Te Te3 1 5.32460686 3.20183206 3.20183206 1 Te Te4 1 5.32460686 5.32460686 5.32460686 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RuTe4Zr
F-43m
216
cubic
-43m
7,529.606462
false
[CIF] data_TaZnOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42741882 _cell_length_b 4.42741882 _cell_length_c 4.42741882 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnOs2 _chemical_formula_sum 'Ta1 Zn1 Os2' _cell_volume 61.36727265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69598681 4.69598681 4.69598681 1 Os Os1 1 3.13065787 3.13065787 3.13065787 1 Ta Ta2 1 1.56532894 1.56532894 1.56532894 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2TaZn
F-43m
216
cubic
-43m
16,960.27404
false
[CIF] data_Gd2Zr2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39498919 _cell_length_b 7.39498919 _cell_length_c 7.39498919 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2Zr2O7 _chemical_formula_sum 'Gd4 Zr4 O14' _cell_volume 285.95495862 _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 Gd Gd0 1 3.92178525 6.53630875 3.92178525 1 Gd Gd1 1 6.53630875 3.92178525 3.92178525 1 Gd Gd2 1 3.92178525 3.92178525 6.53630875 1 Gd Gd3 1 6.53630875 6.53630875 6.53630875 1 O O4 1 5.22904700 7.84650107 5.22904700 1 O O5 1 2.61159293 5.22904700 5.22904700 1 O O6 1 5.22904700 5.22904700 2.61159293 1 O O7 1 2.61452350 2.61452350 2.61452350 1 O O8 1 2.61452350 2.61452350 5.22611643 1 O O9 1 2.61452350 0.00293057 2.61452350 1 O O10 1 5.22611643 2.61452350 2.61452350 1 O O11 1 7.84650107 5.22904700 5.22904700 1 O O12 1 5.22904700 2.61159293 5.22904700 1 O O13 1 5.22904700 5.22904700 7.84650107 1 O O14 1 0.00000000 0.00000000 0.00000000 1 O O15 1 0.00293057 2.61452350 2.61452350 1 O O16 1 2.61452350 5.22611643 2.61452350 1 O O17 1 2.61452350 2.61452350 0.00293057 1 Zr Zr18 1 1.30726175 1.30726175 1.30726175 1 Zr Zr19 1 3.92178525 3.92178525 1.30726175 1 Zr Zr20 1 1.30726175 3.92178525 3.92178525 1 Zr Zr21 1 3.92178525 1.30726175 3.92178525 1 [/CIF]
Gd4O14Zr4
Fd-3m
227
cubic
m-3m
7,072.267424
false
[CIF] data_ScMo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50650395 _cell_length_b 4.50650395 _cell_length_c 4.50650395 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMo2Rh _chemical_formula_sum 'Sc1 Mo2 Rh1' _cell_volume 64.71489779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59328975 1.59328975 1.59328975 1 Mo Mo1 1 3.18657950 3.18657950 3.18657950 1 Rh Rh2 1 4.77986925 4.77986925 4.77986925 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2RhSc
F-43m
216
cubic
-43m
8,718.554324
false
[CIF] data_MgTlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51442028 _cell_length_b 4.51442028 _cell_length_c 4.51442028 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlRh _chemical_formula_sum 'Mg1 Tl1 Rh1' _cell_volume 65.05654057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.78826578 4.78826579 4.78826579 1 Tl Tl2 1 3.19217719 3.19217719 3.19217719 1 [/CIF]
MgRhTl
F-43m
216
cubic
-43m
8,463.783262
false
[CIF] data_TiOsBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05017270 _cell_length_b 6.05017270 _cell_length_c 6.05017270 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiOsBr4 _chemical_formula_sum 'Ti1 Os1 Br4' _cell_volume 156.59875894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.34870491 5.34870491 3.20753137 1 Br Br1 1 5.34870491 3.20753137 5.34870491 1 Br Br2 1 3.20753137 5.34870491 5.34870491 1 Br Br3 1 3.20753137 3.20753137 3.20753137 1 Os Os4 1 6.41717721 6.41717721 6.41717721 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br4OsTi
F-43m
216
cubic
-43m
5,913.866947
false
[CIF] data_Cd2Os2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28944733 _cell_length_b 7.28944733 _cell_length_c 7.28944733 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2Os2O7 _chemical_formula_sum 'Cd4 Os4 O14' _cell_volume 273.88535454 _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 O O0 1 2.57720882 2.57720882 2.57720882 1 O O1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 7.73162646 5.74861581 7.73162646 1 O O3 1 5.15441764 3.17140699 5.15441764 1 O O4 1 7.73162646 7.73162646 5.74861581 1 O O5 1 5.74861581 7.73162646 7.73162646 1 O O6 1 9.71463711 7.73162646 7.73162646 1 O O7 1 7.73162646 7.73162646 9.71463711 1 O O8 1 7.73162646 9.71463711 7.73162646 1 O O9 1 3.17140699 5.15441764 5.15441764 1 O O10 1 7.13742829 5.15441764 5.15441764 1 O O11 1 5.15441764 7.13742829 5.15441764 1 O O12 1 5.15441764 5.15441764 3.17140699 1 O O13 1 5.15441764 5.15441764 7.13742829 1 Cd Cd14 1 1.28860441 1.28860441 1.28860441 1 Cd Cd15 1 1.28860441 3.86581323 3.86581323 1 Cd Cd16 1 3.86581323 1.28860441 3.86581323 1 Cd Cd17 1 3.86581323 3.86581323 1.28860441 1 Os Os18 1 6.44302205 6.44302205 6.44302205 1 Os Os19 1 6.44302205 3.86581323 3.86581323 1 Os Os20 1 3.86581323 6.44302205 3.86581323 1 Os Os21 1 3.86581323 3.86581323 6.44302205 1 [/CIF]
Cd4O14Os4
Fd-3m
227
cubic
m-3m
8,697.564793
false
[CIF] data_LaZrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97767639 _cell_length_b 4.97767639 _cell_length_c 4.97767639 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrPd2 _chemical_formula_sum 'La1 Zr1 Pd2' _cell_volume 87.20973732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51974873 3.51974873 3.51974873 1 Pd Pd1 1 1.75987437 1.75987437 1.75987436 1 Pd Pd2 1 5.27962309 5.27962309 5.27962309 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaPd2Zr
Fm-3m
225
cubic
m-3m
8,434.47226
false
[CIF] data_TiRePdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40030720 _cell_length_b 4.40030720 _cell_length_c 4.40030720 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiRePdRh _chemical_formula_sum 'Ti1 Re1 Pd1 Rh1' _cell_volume 60.24680123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55574353 1.55574353 1.55574353 1 Re Re1 1 4.66723059 4.66723059 4.66723059 1 Rh Rh2 1 3.11148706 3.11148706 3.11148706 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdReRhTi
F-43m
216
cubic
-43m
12,221.100155
false
[CIF] data_BaCdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31510850 _cell_length_b 5.31510850 _cell_length_c 3.91632146 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdSe2 _chemical_formula_sum 'Ba1 Cd1 Se2' _cell_volume 110.63756313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.65755425 2.65755425 0.00000000 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 0.00000000 2.65755425 1.95816073 1 Se Se3 1 2.65755425 0.00000000 1.95816073 1 [/CIF]
BaCdSe2
P4/mmm
123
tetragonal
4/mmm
6,118.484097
false
[CIF] data_LiAl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11409101 _cell_length_b 5.11409101 _cell_length_c 4.77813897 _cell_angle_alpha 95.51084948 _cell_angle_beta 95.51084948 _cell_angle_gamma 32.48544313 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAl2Ge _chemical_formula_sum 'Li1 Al2 Ge1' _cell_volume 66.78137889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.22634035 0.00000000 1.16865152 1 Al Al1 1 2.11564601 -0.00000000 3.58552387 1 Ge Ge2 1 4.67099318 0.00000000 2.37708770 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2GeLi
C2/m
12
monoclinic
2/m
3,320.613635
false
[CIF] data_Li2TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80706670 _cell_length_b 4.80706670 _cell_length_c 3.42308114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.69830485 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TlHg _chemical_formula_sum 'Li2 Tl1 Hg1' _cell_volume 79.09430860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 1.68916639 1.70987996 1.71154057 1 Li Li2 1 1.68916639 -1.70987996 1.71154057 1 Tl Tl3 1 3.37833278 -0.00000000 0.00000000 1 [/CIF]
HgLi2Tl
Cmmm
65
orthorhombic
mmm
8,794.142024
false
[CIF] data_MgZnFeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30742141 _cell_length_b 4.30742141 _cell_length_c 4.30742141 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnFeW _chemical_formula_sum 'Mg1 Zn1 Fe1 W1' _cell_volume 56.51153317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 4.56871034 4.56871034 4.56871034 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 3.04580689 3.04580689 3.04580689 1 Zn Zn3 1 1.52290345 1.52290345 1.52290345 1 [/CIF]
FeMgWZn
F-43m
216
cubic
-43m
9,678.232419
false
[CIF] data_NaNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64774201 _cell_length_b 3.87960578 _cell_length_c 5.89700202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2Pt _chemical_formula_sum 'Na1 Ni2 Pt1' _cell_volume 60.57515588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32387100 1.93980289 1.78051360 1 Ni Ni2 1 1.32387100 1.93980289 4.11648842 1 Pt Pt3 1 0.00000000 0.00000000 2.94850101 1 [/CIF]
NaNi2Pt
Pmmm
47
orthorhombic
mmm
9,195.938046
false
[CIF] data_Co2CuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05348468 _cell_length_b 4.05348468 _cell_length_c 4.05348468 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2CuRu _chemical_formula_sum 'Co2 Cu1 Ru1' _cell_volume 47.09454552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.43312325 1.43312325 1.43312325 1 Co Co1 1 4.29936976 4.29936976 4.29936976 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 2.86624650 2.86624650 2.86624650 1 [/CIF]
Co2CuRu
Fm-3m
225
cubic
m-3m
9,960.241446
false
[CIF] data_Hf3Fe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.35304882 _cell_length_b 10.35304882 _cell_length_c 10.35304882 _cell_angle_alpha 17.58679805 _cell_angle_beta 17.58679805 _cell_angle_gamma 17.58679805 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Fe2 _chemical_formula_sum 'Hf3 Fe2' _cell_volume 88.42545084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.11159942 1 Fe Fe1 1 -0.00000000 0.00000000 18.45981934 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 -0.00000000 0.00000000 6.42334459 1 Hf Hf4 1 -0.00000000 -0.00000000 24.14807417 1 [/CIF]
Fe2Hf3
R-3m
166
trigonal
-3m
12,152.999579
false
[CIF] data_KMgInGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30417641 _cell_length_b 5.30417641 _cell_length_c 5.30417641 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgInGa _chemical_formula_sum 'K1 Mg1 In1 Ga1' _cell_volume 105.52099603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.62592866 5.62592866 5.62592866 1 In In1 1 3.75061911 3.75061911 3.75061911 1 K K2 1 1.87530955 1.87530955 1.87530956 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaInKMg
F-43m
216
cubic
-43m
3,901.794069
false
[CIF] data_Rb2MnH2OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92729551 _cell_length_b 5.92729551 _cell_length_c 8.28096500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 82.66950166 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2MnH2OF5 _chemical_formula_sum 'Rb4 Mn2 H4 O2 F10' _cell_volume 288.55585404 _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 F F0 1 7.03455188 0.00000000 4.14048250 1 F F1 1 1.86663012 0.00000000 4.14048250 1 F F2 1 4.45059100 -2.01347993 4.13595248 1 F F3 1 4.45059100 -3.90895501 2.07024125 1 F F4 1 4.45059100 -2.01347993 0.00453002 1 F F5 1 7.03455188 0.00000000 0.00000000 1 F F6 1 1.86663012 0.00000000 0.00000000 1 F F7 1 4.45059100 2.01347993 8.27643498 1 F F8 1 4.45059100 3.90895501 6.21072375 1 F F9 1 4.45059100 2.01347993 4.14501252 1 H H10 1 4.45059100 -0.92428998 2.86337245 1 H H11 1 4.45059100 -0.92428998 1.27711005 1 H H12 1 4.45059100 0.92428998 7.00385495 1 H H13 1 4.45059100 0.92428998 5.41759255 1 Mn Mn14 1 0.00000000 0.00000000 4.14048250 1 Mn Mn15 1 0.00000000 0.00000000 0.00000000 1 O O16 1 4.45059100 -0.33756000 2.07024125 1 O O17 1 4.45059100 0.33756000 6.21072375 1 Rb Rb18 1 6.40368190 1.73843992 2.07024125 1 Rb Rb19 1 2.49750010 1.73843992 2.07024125 1 Rb Rb20 1 6.40368190 -1.73843992 6.21072375 1 Rb Rb21 1 2.49750010 -1.73843992 6.21072375 1 [/CIF]
F10H4Mn2O2Rb4
Cmcm
63
orthorhombic
mmm
3,900.285048
false