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_TaSiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19848474 _cell_length_b 4.19848474 _cell_length_c 4.19848474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSiP _chemical_formula_sum 'Ta1 Si1 P1' _cell_volume 52.33144647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 1.48438851 1.48438851 1.48438852 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.45316555 4.45316555 4.45316555 1 [/CIF]
PSiTa
F-43m
216
cubic
-43m
7,615.712204
false
[CIF] data_CoTcSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00257678 _cell_length_b 3.00257678 _cell_length_c 7.90778954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.74533396 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTcSe2 _chemical_formula_sum 'Co1 Tc1 Se2' _cell_volume 71.25934394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92968490 1 Se Se1 1 2.09056000 0.00000000 0.82071587 1 Se Se2 1 0.00000000 0.00000000 5.26131381 1 Tc Tc3 1 2.09056000 0.00000000 3.84996973 1 [/CIF]
CoSe2Tc
Cmm2
35
orthorhombic
mm2
7,358.063968
false
[CIF] data_TlSi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59370229 _cell_length_b 4.59370229 _cell_length_c 4.59370229 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSi2Os _chemical_formula_sum 'Tl1 Si2 Os1' _cell_volume 68.54464631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.24823804 3.24823804 3.24823804 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.62411902 1.62411902 1.62411902 1 Tl Tl3 1 4.87235706 4.87235706 4.87235706 1 [/CIF]
OsSi2Tl
F-43m
216
cubic
-43m
10,920.545674
false
[CIF] data_In2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74123989 _cell_length_b 4.74123989 _cell_length_c 6.52153539 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2Pt _chemical_formula_sum 'In4 Pt2' _cell_volume 126.95924940 _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 0.00000000 0.00000000 3.26076770 1 In In1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 -0.00000000 2.73735613 1.63038385 1 In In3 1 2.37061994 1.36867806 4.89115154 1 Pt Pt4 1 -0.00000000 2.73735613 4.89115154 1 Pt Pt5 1 2.37061994 1.36867806 1.63038385 1 [/CIF]
In4Pt2
P6_3/mmc
194
hexagonal
6/mmm
11,110.086873
false
[CIF] data_Tl2OsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97737239 _cell_length_b 4.97737239 _cell_length_c 4.97737239 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2OsSe _chemical_formula_sum 'Tl2 Os1 Se1' _cell_volume 87.19375993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51953377 3.51953377 3.51953377 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.27930065 5.27930066 5.27930066 1 Tl Tl3 1 1.75976688 1.75976688 1.75976688 1 [/CIF]
OsSeTl2
Fm-3m
225
cubic
m-3m
12,911.169568
false
[CIF] data_HfV2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18577353 _cell_length_b 3.18577353 _cell_length_c 7.26172752 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfV2Br _chemical_formula_sum 'Hf1 V2 Br1' _cell_volume 73.70038353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57350076 1 Hf Hf1 1 1.59288677 1.59288677 5.74447227 1 V V2 1 0.00000000 0.00000000 0.20595247 1 V V3 1 1.59288677 1.59288677 1.36866579 1 [/CIF]
BrHfV2
P4mm
99
tetragonal
4mm
8,117.384517
false
[CIF] data_NbSnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68868347 _cell_length_b 4.68868347 _cell_length_c 4.68868347 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSnGe _chemical_formula_sum 'Nb1 Sn1 Ge1' _cell_volume 72.88493116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.31539988 3.31539988 3.31539988 1 Sn Sn2 1 1.65769994 1.65769994 1.65769994 1 [/CIF]
GeNbSn
F-43m
216
cubic
-43m
6,476.219658
false
[CIF] data_AlCd2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62256136 _cell_length_b 4.95035706 _cell_length_c 5.25347324 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCd2Sb _chemical_formula_sum 'Al1 Cd2 Sb1' _cell_volume 94.21038959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.47517853 2.62673662 1 Cd Cd2 1 1.81128068 0.00000000 2.62673662 1 Sb Sb3 1 1.81128068 2.47517853 0.00000000 1 [/CIF]
AlCd2Sb
Pmmm
47
orthorhombic
mmm
6,584.378352
false
[CIF] data_BeNbW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75150481 _cell_length_b 4.75150481 _cell_length_c 4.75150481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbW3 _chemical_formula_sum 'Be1 Nb1 W3' _cell_volume 107.27376410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 2.37575241 2.37575241 2.37575241 1 W W2 1 2.37575241 0.00000000 2.37575241 1 W W3 1 2.37575241 2.37575241 0.00000000 1 W W4 1 0.00000000 2.37575241 2.37575241 1 [/CIF]
BeNbW3
Pm-3m
221
cubic
m-3m
10,114.87076
false
[CIF] data_LaMnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86458780 _cell_length_b 4.86458780 _cell_length_c 4.86458780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnSn _chemical_formula_sum 'La1 Mn1 Sn1' _cell_volume 81.39976304 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43978302 3.43978302 3.43978302 1 Mn Mn1 1 0.00000000 -0.00000000 0.00000000 1 Sn Sn2 1 1.71989151 1.71989151 1.71989151 1 [/CIF]
LaMnSn
F-43m
216
cubic
-43m
6,376.029888
false
[CIF] data_FeSi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92656614 _cell_length_b 2.92656614 _cell_length_c 7.00669637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSi2Se _chemical_formula_sum 'Fe1 Si2 Se1' _cell_volume 60.01087860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25012197 1 Se Se1 1 1.46328307 1.46328307 4.80315721 1 Si Si2 1 0.00000000 0.00000000 0.47550728 1 Si Si3 1 1.46328307 1.46328307 1.98125810 1 [/CIF]
FeSeSi2
P4mm
99
tetragonal
4mm
5,284.427027
false
[CIF] data_ZnFeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71526078 _cell_length_b 2.71526078 _cell_length_c 7.34777324 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeRu2 _chemical_formula_sum 'Zn1 Fe1 Ru2' _cell_volume 54.17249501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.49877811 1 Ru Ru1 1 1.35763039 1.35763039 0.03353303 1 Ru Ru2 1 0.00000000 0.00000000 1.78780052 1 Zn Zn3 1 1.35763039 1.35763039 3.70154819 1 [/CIF]
FeRu2Zn
P4mm
99
tetragonal
4mm
9,912.045129
false
[CIF] data_ZrTiMnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80023162 _cell_length_b 4.80023162 _cell_length_c 4.80023162 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiMnBi _chemical_formula_sum 'Zr1 Ti1 Mn1 Bi1' _cell_volume 78.21167419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09141450 5.09141450 5.09141450 1 Mn Mn1 1 1.69713817 1.69713817 1.69713817 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.39427633 3.39427633 3.39427633 1 [/CIF]
BiMnTiZr
F-43m
216
cubic
-43m
8,556.432714
false
[CIF] data_CdFe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37888619 _cell_length_b 3.55866422 _cell_length_c 6.19112650 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFe2Bi _chemical_formula_sum 'Cd1 Fe2 Bi1' _cell_volume 74.44409479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09556325 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 1.68944309 1.77933211 1.26880928 1 Fe Fe3 1 1.68944309 1.77933211 4.92231722 1 [/CIF]
BiCdFe2
Pmmm
47
orthorhombic
mmm
9,660.250229
false
[CIF] data_BaBP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04633288 _cell_length_b 4.04633288 _cell_length_c 9.17578774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBP _chemical_formula_sum 'Ba2 B2 P2' _cell_volume 150.23342721 _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 2.02316644 0.00000000 0.57015409 1 B B1 1 0.00000000 2.02316644 8.60563365 1 Ba Ba2 1 2.02316644 0.00000000 6.71303944 1 Ba Ba3 1 0.00000000 2.02316644 2.46274830 1 P P4 1 0.00000000 0.00000000 0.00000000 1 P P5 1 2.02316644 2.02316644 0.00000000 1 [/CIF]
B2Ba2P2
P4/nmm
129
tetragonal
4/mmm
3,959.46606
false
[CIF] data_MgInCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05255316 _cell_length_b 5.05255316 _cell_length_c 5.05255316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInCuPb _chemical_formula_sum 'Mg1 In1 Cu1 Pb1' _cell_volume 91.20479601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 5.35904190 5.35904190 5.35904190 1 In In1 1 3.57269460 3.57269460 3.57269460 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 1.78634730 1.78634730 1.78634730 1 [/CIF]
CuInMgPb
F-43m
216
cubic
-43m
7,462.3651
false
[CIF] data_NaNi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55869504 _cell_length_b 4.55869504 _cell_length_c 4.55869504 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2Bi _chemical_formula_sum 'Na1 Ni2 Bi1' _cell_volume 66.98948260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22348418 3.22348418 3.22348418 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.61174209 1.61174209 1.61174209 1 Ni Ni3 1 4.83522626 4.83522626 4.83522626 1 [/CIF]
BiNaNi2
Fm-3m
225
cubic
m-3m
8,660.754544
false
[CIF] data_BaHfTaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21974904 _cell_length_b 5.21974904 _cell_length_c 5.21974904 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfTaIn _chemical_formula_sum 'Ba1 Hf1 Ta1 In1' _cell_volume 100.56199271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.53637991 5.53637991 5.53637991 1 Hf Hf1 1 3.69091994 3.69091994 3.69091994 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.84545997 1.84545997 1.84545997 1 [/CIF]
BaHfInTa
F-43m
216
cubic
-43m
10,098.818026
false
[CIF] data_LiSnIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21716863 _cell_length_b 4.21716863 _cell_length_c 4.21716863 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSnIr3 _chemical_formula_sum 'Li1 Sn1 Ir3' _cell_volume 75.00028296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10858431 0.00000000 1 Ir Ir1 1 0.00000000 0.00000000 2.10858431 1 Ir Ir2 1 2.10858431 0.00000000 0.00000000 1 Sn Sn3 1 2.10858431 2.10858431 2.10858431 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir3LiSn
Pm-3m
221
cubic
m-3m
15,549.273436
false
[CIF] data_Be4AlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50315288 _cell_length_b 4.50315288 _cell_length_c 4.50315288 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be4AlGa _chemical_formula_sum 'Be4 Al1 Ga1' _cell_volume 64.57063790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 2.37932528 3.98909460 2.37932528 1 Be Be2 1 3.98909460 2.37932528 2.37932528 1 Be Be3 1 3.98909460 3.98909460 3.98909460 1 Be Be4 1 2.37932528 2.37932528 3.98909460 1 Ga Ga5 1 1.59210497 1.59210497 1.59210497 1 [/CIF]
AlBe4Ga
F-43m
216
cubic
-43m
3,413.966357
false
[CIF] data_CrAgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29385677 _cell_length_b 6.29385677 _cell_length_c 6.29385677 _cell_angle_alpha 154.80896511 _cell_angle_beta 154.80896511 _cell_angle_gamma 35.92484213 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAgPt _chemical_formula_sum 'Cr1 Ag1 Pt1' _cell_volume 45.11165808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.90449183 1 Cr Cr1 1 -0.00000000 0.00000000 3.87619656 1 Pt Pt2 1 -0.00000000 0.00000000 8.16766305 1 [/CIF]
AgCrPt
I4mm
107
tetragonal
4mm
13,065.481162
false
[CIF] data_Ca2TaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.67211848 _cell_length_b 10.67211848 _cell_length_c 10.67211848 _cell_angle_alpha 16.64187798 _cell_angle_beta 16.64187798 _cell_angle_gamma 16.64187798 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TaTc _chemical_formula_sum 'Ca2 Ta1 Tc1' _cell_volume 86.94339286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.07501400 1 Ca Ca1 1 -0.00000000 -0.00000000 23.49115879 1 Ta Ta2 1 -0.00000000 0.00000000 15.78308640 1 Tc Tc3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Ca2TaTc
R-3m
166
trigonal
-3m
6,875.862349
false
[CIF] data_AlCu5Si2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24655823 _cell_length_b 10.36571406 _cell_length_c 3.68449727 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCu5Si2 _chemical_formula_sum 'Al2 Cu10 Si4' _cell_volume 200.37888746 _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 Al Al0 1 2.62327911 5.18285703 0.00000000 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 2.62327911 0.00000000 0.00000000 1 Cu Cu3 1 0.00000000 5.18285703 0.00000000 1 Cu Cu4 1 0.00789964 7.79029052 0.00000000 1 Cu Cu5 1 5.23865859 2.57542354 0.00000000 1 Cu Cu6 1 2.61537948 2.60743349 0.00000000 1 Cu Cu7 1 2.63117875 7.75828057 0.00000000 1 Cu Cu8 1 3.94388934 9.08595875 1.84224864 1 Cu Cu9 1 1.30266889 1.27975531 1.84224864 1 Cu Cu10 1 3.92594800 3.90310172 1.84224864 1 Cu Cu11 1 1.32061023 6.46261234 1.84224864 1 Si Si12 1 4.00563331 6.53969749 1.84224864 1 Si Si13 1 1.24092492 3.82601657 1.84224864 1 Si Si14 1 3.86420404 1.35684046 1.84224864 1 Si Si15 1 1.38235419 9.00887360 1.84224864 1 [/CIF]
Al2Cu10Si4
Pbam
55
orthorhombic
mmm
6,644.224099
false
[CIF] data_InRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31603981 _cell_length_b 5.31603981 _cell_length_c 5.31603981 _cell_angle_alpha 145.26380023 _cell_angle_beta 130.35917421 _cell_angle_gamma 62.00715424 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRe3 _chemical_formula_sum 'In1 Re3' _cell_volume 64.54299687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 -0.00000000 2.23154312 2.22321319 1 Re Re2 1 1.58688818 0.00000000 2.33335136 1 Re Re3 1 -0.00000000 0.00000000 4.55656455 1 [/CIF]
InRe3
Immm
71
orthorhombic
mmm
17,325.996974
false
[CIF] data_HfZnBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78715098 _cell_length_b 4.78715098 _cell_length_c 4.78715098 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnBiIr _chemical_formula_sum 'Hf1 Zn1 Bi1 Ir1' _cell_volume 77.57403400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69251346 1.69251346 1.69251346 1 Hf Hf1 1 5.07754038 5.07754038 5.07754038 1 Ir Ir2 1 3.38502692 3.38502692 3.38502692 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiHfIrZn
F-43m
216
cubic
-43m
13,808.223746
false
[CIF] data_BaBCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26355033 _cell_length_b 4.51740512 _cell_length_c 5.40613160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBCl2 _chemical_formula_sum 'Ba1 B1 Cl2' _cell_volume 104.12308983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 0.00000000 2.25870256 2.70306580 1 Cl Cl2 1 2.13177517 2.25870256 0.00000000 1 Cl Cl3 1 2.13177517 0.00000000 2.70306580 1 [/CIF]
BBaCl2
Pmmm
47
orthorhombic
mmm
3,493.280116
false
[CIF] data_TaBOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79301193 _cell_length_b 2.79301193 _cell_length_c 6.75377814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBOs2 _chemical_formula_sum 'Ta1 B1 Os2' _cell_volume 52.68565334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.39650596 1.39650596 1.30295941 1 Os Os2 1 1.39650596 1.39650596 5.45081873 1 Ta Ta3 1 0.00000000 0.00000000 3.37688907 1 [/CIF]
BOs2Ta
P4/mmm
123
tetragonal
4/mmm
18,035.116674
false
[CIF] data_ZrInPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17211880 _cell_length_b 5.17211880 _cell_length_c 5.17211880 _cell_angle_alpha 132.91369099 _cell_angle_beta 132.91369099 _cell_angle_gamma 68.78972345 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInPt2 _chemical_formula_sum 'Zr1 In1 Pt2' _cell_volume 72.86319689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06594945 -0.00000000 2.13392354 1 Pt Pt1 1 0.00000000 -0.00000000 4.26784707 1 Pt Pt2 1 0.00000000 2.06594945 2.13392354 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InPt2Zr
I-4m2
119
tetragonal
-42m
13,587.517967
false
[CIF] data_SrCrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56894392 _cell_length_b 4.56894392 _cell_length_c 4.56894392 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCrRu _chemical_formula_sum 'Sr1 Cr1 Ru1' _cell_volume 67.44231746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.84609685 4.84609685 4.84609685 1 Sr Sr2 1 1.61536562 1.61536562 1.61536562 1 [/CIF]
CrRuSr
F-43m
216
cubic
-43m
5,926.08153
false
[CIF] data_SnSbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72088168 _cell_length_b 7.72088168 _cell_length_c 7.72088168 _cell_angle_alpha 28.80520419 _cell_angle_beta 28.80520419 _cell_angle_gamma 28.80520419 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSbAu2 _chemical_formula_sum 'Sn1 Sb1 Au2' _cell_volume 94.48573828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.54868016 1 Au Au1 1 0.00000000 -0.00000000 16.63804617 1 Sb Sb2 1 -0.00000000 -0.00000000 11.09336316 1 Sn Sn3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Au2SbSn
R-3m
166
trigonal
-3m
11,149.31432
false
[CIF] data_NaTcHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86622919 _cell_length_b 4.86622919 _cell_length_c 4.86622919 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTcHg2 _chemical_formula_sum 'Na1 Tc1 Hg2' _cell_volume 81.48218775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16141549 5.16141549 5.16141549 1 Hg Hg1 1 1.72047183 1.72047183 1.72047183 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.44094366 3.44094366 3.44094366 1 [/CIF]
Hg2NaTc
Fm-3m
225
cubic
m-3m
10,659.852242
false
[CIF] data_CaMn3I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89652323 _cell_length_b 4.89652323 _cell_length_c 4.89652323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMn3I _chemical_formula_sum 'Ca1 Mn3 I1' _cell_volume 117.39874591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44826161 2.44826161 2.44826161 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 2.44826161 0.00000000 2.44826161 1 Mn Mn3 1 2.44826161 2.44826161 0.00000000 1 Mn Mn4 1 0.00000000 2.44826161 2.44826161 1 [/CIF]
CaIMn3
Pm-3m
221
cubic
m-3m
4,693.075897
false
[CIF] data_TaP2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44922531 _cell_length_b 4.44922531 _cell_length_c 4.44922531 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaP2Cl _chemical_formula_sum 'Ta1 P2 Cl1' _cell_volume 62.27850792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14607739 3.14607739 3.14607739 1 P P1 1 1.57303869 1.57303869 1.57303869 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 4.71911608 4.71911608 4.71911608 1 [/CIF]
ClP2Ta
F-43m
216
cubic
-43m
7,421.655014
false
[CIF] data_Na2NdTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34097551 _cell_length_b 5.34097551 _cell_length_c 5.34097551 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2NdTi _chemical_formula_sum 'Na2 Nd1 Ti1' _cell_volume 107.73250583 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88832000 1.88832000 1.88832000 1 Na Na1 1 5.66496000 5.66496000 5.66496000 1 Nd Nd2 1 3.77664000 3.77664000 3.77664000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2NdTi
Fm-3m
225
cubic
m-3m
3,669.786724
false
[CIF] data_HfNi2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19075590 _cell_length_b 3.19075590 _cell_length_c 6.18055661 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNi2Hg _chemical_formula_sum 'Hf1 Ni2 Hg1' _cell_volume 62.92377216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73743441 1 Hg Hg1 1 1.59537795 1.59537795 4.87351333 1 Ni Ni2 1 0.00000000 0.00000000 0.22768800 1 Ni Ni3 1 1.59537795 1.59537795 1.43219925 1 [/CIF]
HfHgNi2
P4mm
99
tetragonal
4mm
13,101.612237
false
[CIF] data_SrZrAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45066688 _cell_length_b 5.45066688 _cell_length_c 3.16807176 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.47097368 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrAl2 _chemical_formula_sum 'Sr1 Zr1 Al2' _cell_volume 92.55526606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74321520 -2.09490886 1.58403588 1 Al Al1 1 1.74321520 2.09490886 1.58403588 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.48643039 0.00000000 0.00000000 1 [/CIF]
Al2SrZr
Cmmm
65
orthorhombic
mmm
4,176.804445
false
[CIF] data_Fe2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.53537652 _cell_length_b 2.53537652 _cell_length_c 7.07071309 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2CoRu _chemical_formula_sum 'Fe2 Co1 Ru1' _cell_volume 45.45149175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.26768826 1.26768826 1.68448462 1 Fe Fe2 1 1.26768826 1.26768826 5.38622847 1 Ru Ru3 1 0.00000000 0.00000000 3.53535654 1 [/CIF]
CoFe2Ru
P4/mmm
123
tetragonal
4/mmm
9,926.802691
false
[CIF] data_ZnRuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97003534 _cell_length_b 4.97003534 _cell_length_c 3.39942226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.61393139 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnRuPb2 _chemical_formula_sum 'Zn1 Ru1 Pb2' _cell_volume 83.96516305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74773351 1.76656175 1.69971113 1 Pb Pb1 1 1.74773351 -1.76656175 1.69971113 1 Ru Ru2 1 3.49546702 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2RuZn
Cmmm
65
orthorhombic
mmm
11,487.193996
false
[CIF] data_Mn2GaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90354612 _cell_length_b 4.01154090 _cell_length_c 4.30469742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2GaRu _chemical_formula_sum 'Mn2 Ga1 Ru1' _cell_volume 50.13979838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45177306 0.00000000 2.15234871 1 Mn Mn1 1 1.45177306 2.00577045 0.00000000 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 0.00000000 2.00577045 2.15234871 1 [/CIF]
GaMn2Ru
Pmmm
47
orthorhombic
mmm
9,295.250556
false
[CIF] data_VCrInRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41048801 _cell_length_b 4.41048801 _cell_length_c 4.41048801 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrInRh _chemical_formula_sum 'V1 Cr1 In1 Rh1' _cell_volume 60.66594114 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11868598 3.11868598 3.11868598 1 In In1 1 4.67802897 4.67802897 4.67802897 1 Rh Rh2 1 1.55934299 1.55934299 1.55934299 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrInRhV
F-43m
216
cubic
-43m
8,777.087665
false
[CIF] data_CrGaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18758178 _cell_length_b 3.18758178 _cell_length_c 8.32202804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.50568798 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaSb2 _chemical_formula_sum 'Cr1 Ga1 Sb2' _cell_volume 84.29612251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.87579282 1 Ga Ga1 1 2.16361670 0.00000000 2.50252920 1 Sb Sb2 1 0.00000000 0.00000000 0.43003705 1 Sb Sb3 1 2.16361670 0.00000000 5.67468298 1 [/CIF]
CrGaSb2
Cmm2
35
orthorhombic
mm2
7,194.800616
false
[CIF] data_HfScBeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47498571 _cell_length_b 4.47498571 _cell_length_c 4.47498571 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScBeIr _chemical_formula_sum 'Hf1 Sc1 Be1 Ir1' _cell_volume 63.36653505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 3.16429274 3.16429274 3.16429274 1 Ir Ir2 1 4.74643911 4.74643911 4.74643911 1 Sc Sc3 1 1.58214637 1.58214637 1.58214637 1 [/CIF]
BeHfIrSc
F-43m
216
cubic
-43m
11,128.738278
false
[CIF] data_Na2CaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79356191 _cell_length_b 4.79356191 _cell_length_c 5.44113291 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CaPb _chemical_formula_sum 'Na2 Ca1 Pb1' _cell_volume 125.02763494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 0.00000000 2.39678096 2.72056646 1 Na Na2 1 2.39678096 0.00000000 2.72056646 1 Pb Pb3 1 2.39678096 2.39678096 0.00000000 1 [/CIF]
CaNa2Pb
P4/mmm
123
tetragonal
4/mmm
3,894.86372
false
[CIF] data_Tc2SnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94872536 _cell_length_b 4.01635073 _cell_length_c 5.60436098 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2SnMo _chemical_formula_sum 'Tc2 Sn1 Mo1' _cell_volume 66.37309300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 2.80218049 1 Tc Tc2 1 1.47436268 2.00817536 4.35961727 1 Tc Tc3 1 1.47436268 2.00817536 1.24474371 1 [/CIF]
MoSnTc2
Pmmm
47
orthorhombic
mmm
10,319.590492
false
[CIF] data_ZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12779824 _cell_length_b 4.07321093 _cell_length_c 6.78094807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnIn _chemical_formula_sum 'Zn2 In2' _cell_volume 86.39051240 _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 0.00000000 0.00000000 4.43537426 1 In In1 1 1.56389912 2.03660546 2.34557381 1 Zn Zn2 1 0.00000000 0.00000000 0.59794332 1 Zn Zn3 1 1.56389912 2.03660546 6.18300475 1 [/CIF]
In2Zn2
Pmmn
59
orthorhombic
mmm
6,927.284268
false
[CIF] data_BeCdCuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28026253 _cell_length_b 4.28026253 _cell_length_c 4.28026253 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCdCuRu _chemical_formula_sum 'Be1 Cd1 Cu1 Ru1' _cell_volume 55.44931992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.02660266 3.02660266 3.02660266 1 Cu Cu2 1 1.51330133 1.51330133 1.51330133 1 Ru Ru3 1 4.53990399 4.53990399 4.53990399 1 [/CIF]
BeCdCuRu
F-43m
216
cubic
-43m
8,566.006526
false
[CIF] data_YAlW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69504839 _cell_length_b 4.69504839 _cell_length_c 4.69504839 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlW2 _chemical_formula_sum 'Y1 Al1 W2' _cell_volume 73.18215947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 1.65995028 1.65995028 1.65995028 1 W W2 1 3.31990056 3.31990056 3.31990056 1 Y Y3 1 4.97985083 4.97985083 4.97985083 1 [/CIF]
AlW2Y
F-43m
216
cubic
-43m
10,972.427731
false
[CIF] data_InRhO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52984700 _cell_length_b 8.24457900 _cell_length_c 5.34112900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRhO3 _chemical_formula_sum 'In4 Rh4 O12' _cell_volume 243.50880333 _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 In In0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 2.76492350 0.00000000 2.67056450 1 In In2 1 0.00000000 4.12228950 0.00000000 1 In In3 1 2.76492350 4.12228950 2.67056450 1 Rh Rh4 1 2.48319438 2.06114475 0.03415652 1 Rh Rh5 1 3.04665262 6.18343425 5.30697248 1 Rh Rh6 1 0.28172912 6.18343425 2.70472102 1 Rh Rh7 1 5.24811788 2.06114475 2.63640798 1 O O8 1 1.00217417 0.80256030 1.74557710 1 O O9 1 4.52767283 7.44201870 3.59555190 1 O O10 1 1.76274933 7.44201870 4.41614160 1 O O11 1 4.52767283 4.92484980 3.59555190 1 O O12 1 3.76709767 0.80256030 0.92498740 1 O O13 1 1.00217417 3.31972920 1.74557710 1 O O14 1 3.76709767 3.31972920 0.92498740 1 O O15 1 1.76274933 4.92484980 4.41614160 1 O O16 1 3.41711919 2.06114475 3.55753375 1 O O17 1 2.11272781 6.18343425 1.78359525 1 O O18 1 4.87765131 6.18343425 0.88696925 1 O O19 1 0.65219569 2.06114475 4.45415975 1 [/CIF]
In4O12Rh4
Pnma
62
orthorhombic
mmm
7,248.054405
false
[CIF] data_ScFe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20489476 _cell_length_b 4.12859285 _cell_length_c 4.33601234 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFe2Rh _chemical_formula_sum 'Sc1 Fe2 Rh1' _cell_volume 57.37283872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 2.06429642 2.16800617 1 Fe Fe1 1 1.60244738 0.00000000 2.16800617 1 Rh Rh2 1 1.60244738 2.06429642 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2RhSc
Pmmm
47
orthorhombic
mmm
7,512.182925
false
[CIF] data_LiScOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52188116 _cell_length_b 4.52188116 _cell_length_c 2.68989611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScOs _chemical_formula_sum 'Li1 Sc1 Os1' _cell_volume 47.63261535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.08404328 1 Os Os1 1 2.26094058 1.30535465 0.72436823 1 Sc Sc2 1 -0.00000000 2.61070931 1.88148461 1 [/CIF]
LiOsSc
P3m1
156
trigonal
3m
8,440.880133
false
[CIF] data_Cd2OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56496283 _cell_length_b 4.56496283 _cell_length_c 4.56496283 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2OsRu _chemical_formula_sum 'Cd2 Os1 Ru1' _cell_volume 67.26617580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.84187425 4.84187425 4.84187426 1 Cd Cd1 1 3.22791617 3.22791617 3.22791617 1 Os Os2 1 1.61395808 1.61395809 1.61395809 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2OsRu
F-43m
216
cubic
-43m
12,741.035654
false
[CIF] data_V2AgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50364248 _cell_length_b 4.50364248 _cell_length_c 4.50364248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2AgAu _chemical_formula_sum 'V2 Ag1 Au1' _cell_volume 64.59170132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18455614 3.18455614 3.18455614 1 Au Au1 1 1.59227807 1.59227807 1.59227807 1 V V2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 4.77683421 4.77683421 4.77683421 1 [/CIF]
AgAuV2
F-43m
216
cubic
-43m
10,455.998692
false
[CIF] data_MgNi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25156040 _cell_length_b 3.25156040 _cell_length_c 6.73457950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi2Bi _chemical_formula_sum 'Mg1 Ni2 Bi1' _cell_volume 71.20231851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62578020 1.62578020 2.95305984 1 Mg Mg1 1 0.00000000 0.00000000 5.55547848 1 Ni Ni2 1 1.62578020 1.62578020 0.18916599 1 Ni Ni3 1 0.00000000 0.00000000 1.40416494 1 [/CIF]
BiMgNi2
P4mm
99
tetragonal
4mm
8,178.173125
false
[CIF] data_CoCu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69928229 _cell_length_b 2.69928229 _cell_length_c 6.98722604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCu2Pt _chemical_formula_sum 'Co1 Cu2 Pt1' _cell_volume 50.90980150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31200506 1 Cu Cu1 1 1.34964115 1.34964115 6.97443627 1 Cu Cu2 1 0.00000000 0.00000000 1.64525766 1 Pt Pt3 1 1.34964115 1.34964115 3.53636611 1 [/CIF]
CoCu2Pt
P4mm
99
tetragonal
4mm
12,430.743949
false
[CIF] data_BaTi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23713685 _cell_length_b 3.23713685 _cell_length_c 8.65030100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi2Pd _chemical_formula_sum 'Ba1 Ti2 Pd1' _cell_volume 90.64697982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61856843 1.61856843 4.54295911 1 Pd Pd1 1 0.00000000 0.00000000 7.08869218 1 Ti Ti2 1 1.61856843 1.61856843 8.47488613 1 Ti Ti3 1 0.00000000 0.00000000 1.51921508 1 [/CIF]
BaPdTi2
P4mm
99
tetragonal
4mm
6,218.867964
false
[CIF] data_CaPdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64698904 _cell_length_b 3.64698904 _cell_length_c 7.00509353 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPdBr2 _chemical_formula_sum 'Ca1 Pd1 Br2' _cell_volume 93.17145005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82349452 1.82349452 5.30594785 1 Br Br1 1 1.82349452 1.82349452 1.69914568 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 3.50254676 1 [/CIF]
Br2CaPd
P4/mmm
123
tetragonal
4/mmm
5,459.108762
false
[CIF] data_SrMgScTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43180776 _cell_length_b 5.43180776 _cell_length_c 5.43180776 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgScTl _chemical_formula_sum 'Sr1 Mg1 Sc1 Tl1' _cell_volume 113.32302930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 3.84086810 3.84086810 3.84086810 1 Sr Sr2 1 1.92043405 1.92043405 1.92043405 1 Tl Tl3 1 5.76130215 5.76130215 5.76130215 1 [/CIF]
MgScSrTl
F-43m
216
cubic
-43m
5,293.657795
false
[CIF] data_Hf2ZrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.23788630 _cell_length_b 10.23788630 _cell_length_c 10.23788630 _cell_angle_alpha 18.22546683 _cell_angle_beta 18.22546683 _cell_angle_gamma 18.22546683 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZrIn _chemical_formula_sum 'Hf2 Zr1 In1' _cell_volume 91.66887686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 22.62307457 1 Hf Hf1 1 0.00000000 -0.00000000 7.57261398 1 In In2 1 0.00000000 -0.00000000 15.09784427 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2InZr
R-3m
166
trigonal
-3m
10,198.881647
false
[CIF] data_BeAlTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20921931 _cell_length_b 3.20921931 _cell_length_c 9.41760909 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.54504280 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlTe2 _chemical_formula_sum 'Be1 Al1 Te2' _cell_volume 91.95633442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87396140 0.00000000 4.20413456 1 Be Be1 1 0.00000000 0.00000000 2.49781673 1 Te Te2 1 1.87396140 0.00000000 0.85784869 1 Te Te3 1 0.00000000 0.00000000 6.56661356 1 [/CIF]
AlBeTe2
Cmm2
35
orthorhombic
mm2
5,258.349542
false
[CIF] data_La2TaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34907104 _cell_length_b 3.34907104 _cell_length_c 9.69749007 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TaHg _chemical_formula_sum 'La2 Ta1 Hg1' _cell_volume 108.76973319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.84874504 1 La La1 1 1.67453552 1.67453552 7.38752350 1 La La2 1 1.67453552 1.67453552 2.30996657 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgLa2Ta
P4/mmm
123
tetragonal
4/mmm
10,065.984737
false
[CIF] data_YAuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99678609 _cell_length_b 5.99678609 _cell_length_c 6.73236869 _cell_angle_alpha 117.14635228 _cell_angle_beta 117.14635228 _cell_angle_gamma 35.14939586 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAuCl2 _chemical_formula_sum 'Y1 Au1 Cl2' _cell_volume 122.38235143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.27926400 -0.00000000 1.84275784 1 Cl Cl1 1 -2.89044541 0.00000000 5.51798853 1 Cl Cl2 1 -0.01731064 0.00000000 3.66945027 1 Y Y3 1 3.72378399 0.00000000 3.74787020 1 [/CIF]
AuCl2Y
Cm
8
monoclinic
m
4,840.930869
false
[CIF] data_In2AuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50099356 _cell_length_b 4.98715127 _cell_length_c 5.45531887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2AuCl _chemical_formula_sum 'In2 Au1 Cl1' _cell_volume 95.24978280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.49357564 2.72765944 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.75049678 0.00000000 2.72765944 1 In In3 1 1.75049678 2.49357564 0.00000000 1 [/CIF]
AuClIn2
Pmmm
47
orthorhombic
mmm
8,055.255358
false
[CIF] data_BeBiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.38673894 _cell_length_b 9.38673894 _cell_length_c 9.38673894 _cell_angle_alpha 22.55184296 _cell_angle_beta 22.55184296 _cell_angle_gamma 22.55184296 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeBiPb2 _chemical_formula_sum 'Be1 Bi1 Pb2' _cell_volume 106.71307671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 0.00000000 13.71652571 1 Pb Pb2 1 -0.00000000 0.00000000 19.97656013 1 Pb Pb3 1 0.00000000 0.00000000 7.45649129 1 [/CIF]
BeBiPb2
R-3m
166
trigonal
-3m
9,840.523964
false
[CIF] data_ZrTcPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23317518 _cell_length_b 5.23317518 _cell_length_c 5.23317518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTcPd4 _chemical_formula_sum 'Zr1 Tc1 Pd4' _cell_volume 101.33998183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77681121 4.62401611 2.77681121 1 Pd Pd1 1 4.62401611 2.77681121 2.77681121 1 Pd Pd2 1 4.62401611 4.62401611 4.62401611 1 Pd Pd3 1 2.77681121 2.77681121 4.62401611 1 Tc Tc4 1 1.85020683 1.85020683 1.85020683 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd4TcZr
F-43m
216
cubic
-43m
10,090.557312
false
[CIF] data_HfBiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83371953 _cell_length_b 3.83371953 _cell_length_c 7.30235483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBiTe2 _chemical_formula_sum 'Hf1 Bi1 Te2' _cell_volume 107.32566956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91685976 1.91685976 3.79601875 1 Hf Hf1 1 0.00000000 0.00000000 5.79454788 1 Te Te2 1 1.91685976 1.91685976 6.93855546 1 Te Te3 1 0.00000000 0.00000000 1.72676499 1 [/CIF]
BiHfTe2
P4mm
99
tetragonal
4mm
9,943.388121
false
[CIF] data_ZnCr2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30928460 _cell_length_b 4.30928460 _cell_length_c 4.30928460 _cell_angle_alpha 121.09188720 _cell_angle_beta 121.09188720 _cell_angle_gamma 88.11897623 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr2Ge _chemical_formula_sum 'Zn1 Cr2 Ge1' _cell_volume 55.61848652 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11898509 -0.00000000 1.54836512 1 Cr Cr1 1 -0.00000000 2.11898509 1.54836512 1 Ge Ge2 1 0.00000000 -0.00000000 3.09673023 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2GeZn
I4/mmm
139
tetragonal
4/mmm
7,225.488104
false
[CIF] data_LaTl2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69963219 _cell_length_b 4.69963219 _cell_length_c 4.90844229 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTl2Ga _chemical_formula_sum 'La1 Tl2 Ga1' _cell_volume 108.41052033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 2.34981609 2.34981609 0.00000000 1 Tl Tl2 1 2.34981609 0.00000000 2.45422114 1 Tl Tl3 1 0.00000000 2.34981609 2.45422114 1 [/CIF]
GaLaTl2
P4/mmm
123
tetragonal
4/mmm
9,456.726433
false
[CIF] data_Tl2CuGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07292502 _cell_length_b 5.07292502 _cell_length_c 5.07292502 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CuGe _chemical_formula_sum 'Tl2 Cu1 Ge1' _cell_volume 92.31246146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79354984 1.79354984 1.79354984 1 Tl Tl2 1 3.58709968 3.58709968 3.58709968 1 Tl Tl3 1 5.38064952 5.38064952 5.38064952 1 [/CIF]
CuGeTl2
F-43m
216
cubic
-43m
9,802.740253
false
[CIF] data_Ti3CrTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61830050 _cell_length_b 4.61830050 _cell_length_c 4.61830050 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3CrTc _chemical_formula_sum 'Ti3 Cr1 Tc1' _cell_volume 98.50234360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 2.30915025 2.30915025 2.30915025 1 Ti Ti2 1 2.30915025 0.00000000 2.30915025 1 Ti Ti3 1 2.30915025 2.30915025 0.00000000 1 Ti Ti4 1 0.00000000 2.30915025 2.30915025 1 [/CIF]
CrTcTi3
Pm-3m
221
cubic
m-3m
4,964.696443
false
[CIF] data_CoSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89057615 _cell_length_b 2.89057615 _cell_length_c 5.78575828 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSi2Ir _chemical_formula_sum 'Co1 Si2 Ir1' _cell_volume 48.34250108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 2.89287914 1 Si Si2 1 1.44528808 1.44528808 4.50118056 1 Si Si3 1 1.44528808 1.44528808 1.28457772 1 [/CIF]
CoIrSi2
P4/mmm
123
tetragonal
4/mmm
10,556.318745
false
[CIF] data_Zn3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00714834 _cell_length_b 5.00714834 _cell_length_c 5.00714834 _cell_angle_alpha 132.88355081 _cell_angle_beta 132.88355081 _cell_angle_gamma 68.83708353 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3Hg _chemical_formula_sum 'Zn3 Hg1' _cell_volume 66.17216425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.13055000 1 Zn Zn1 1 2.00126100 -0.00000000 2.06527500 1 Zn Zn2 1 0.00000000 2.00126100 2.06527500 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgZn3
I4/mmm
139
tetragonal
4/mmm
9,955.631214
false
[CIF] data_BaSr2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40671703 _cell_length_b 4.40671703 _cell_length_c 9.47660443 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr2Sb _chemical_formula_sum 'Ba1 Sr2 Sb1' _cell_volume 184.02765013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20335852 2.20335852 5.38509525 1 Sb Sb1 1 0.00000000 0.00000000 7.31819964 1 Sr Sr2 1 2.20335852 2.20335852 8.82493786 1 Sr Sr3 1 0.00000000 0.00000000 2.16327832 1 [/CIF]
BaSbSr2
P4mm
99
tetragonal
4mm
3,919.068415
false
[CIF] data_MnCu2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20971108 _cell_length_b 4.20971108 _cell_length_c 4.20971108 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCu2Rh _chemical_formula_sum 'Mn1 Cu2 Rh1' _cell_volume 52.75235748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97671525 2.97671525 2.97671525 1 Cu Cu1 1 1.48835763 1.48835763 1.48835762 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 4.46507287 4.46507288 4.46507287 1 [/CIF]
Cu2MnRh
F-43m
216
cubic
-43m
8,969.203018
false
[CIF] data_SrAcCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09515266 _cell_length_b 5.09515266 _cell_length_c 5.09515266 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAcCo2 _chemical_formula_sum 'Sr1 Ac1 Co2' _cell_volume 93.53122137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 3.60281700 3.60281700 3.60281700 1 Co Co1 1 5.40422550 5.40422550 5.40422550 1 Co Co2 1 1.80140850 1.80140850 1.80140850 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcCo2Sr
Fm-3m
225
cubic
m-3m
7,678.297534
false
[CIF] data_KZn2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57672102 _cell_length_b 3.57672102 _cell_length_c 8.20007271 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.53785334 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZn2Te _chemical_formula_sum 'K1 Zn2 Te1' _cell_volume 104.86519790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 0.00000000 0.00000000 4.10003635 1 Zn Zn2 1 2.49495535 0.00000000 5.95510174 1 Zn Zn3 1 2.49495535 0.00000000 2.24497097 1 [/CIF]
KTeZn2
Cmmm
65
orthorhombic
mmm
4,710.248373
false
[CIF] data_MnPPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56937462 _cell_length_b 4.56937462 _cell_length_c 4.56937462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPPb _chemical_formula_sum 'Mn1 P1 Pb1' _cell_volume 67.46139193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 3.23103578 3.23103578 3.23103578 1 P P1 1 -0.00000000 -0.00000000 0.00000000 1 Pb Pb2 1 1.61551789 1.61551789 1.61551789 1 [/CIF]
MnPPb
F-43m
216
cubic
-43m
7,214.846781
false
[CIF] data_ZnBiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19125835 _cell_length_b 3.19125835 _cell_length_c 10.86295822 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBiCl2 _chemical_formula_sum 'Zn1 Bi1 Cl2' _cell_volume 110.62977714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43147911 1 Cl Cl1 1 1.59562918 1.59562918 9.35802028 1 Cl Cl2 1 1.59562918 1.59562918 1.50493794 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCl2Zn
P4/mmm
123
tetragonal
4/mmm
5,182.40532
false
[CIF] data_MnGaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99167056 _cell_length_b 2.99167056 _cell_length_c 5.88530475 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGaAs _chemical_formula_sum 'Mn1 Ga1 As1' _cell_volume 45.61704218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.49583529 0.86362089 5.61798715 1 Ga Ga1 1 0.00000001 1.72724179 2.15108436 1 Mn Mn2 1 0.00000000 0.00000000 4.00153799 1 [/CIF]
AsGaMn
P3m1
156
trigonal
3m
7,265.152734
false
[CIF] data_Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09027812 _cell_length_b 4.09027812 _cell_length_c 6.64998022 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu _chemical_formula_sum Eu2 _cell_volume 96.35109691 _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 Eu Eu0 1 0.00000000 2.36152317 1.66249506 1 Eu Eu1 1 2.04513906 1.18076159 4.98748517 1 [/CIF]
Eu2
P6_3/mmc
194
hexagonal
6/mmm
5,237.971685
false
[CIF] data_Sc2CoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19113089 _cell_length_b 3.28706470 _cell_length_c 7.75355941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CoBr _chemical_formula_sum 'Sc2 Co1 Br1' _cell_volume 81.33060239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64353235 3.87677970 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.59556544 1.64353235 1.50297833 1 Sc Sc3 1 1.59556544 1.64353235 6.25058107 1 [/CIF]
BrCoSc2
Pmmm
47
orthorhombic
mmm
4,670.629945
false
[CIF] data_HfTaCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58204290 _cell_length_b 5.58204290 _cell_length_c 5.58204290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaCl4 _chemical_formula_sum 'Hf1 Ta1 Cl4' _cell_volume 122.98850222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95946151 2.95946151 4.93473927 1 Cl Cl1 1 2.95946151 4.93473927 2.95946151 1 Cl Cl2 1 4.93473927 2.95946151 2.95946151 1 Cl Cl3 1 4.93473927 4.93473927 4.93473927 1 Hf Hf4 1 0.00000000 0.00000000 0.00000000 1 Ta Ta5 1 1.97355020 1.97355020 1.97355020 1 [/CIF]
Cl4HfTa
F-43m
216
cubic
-43m
6,767.665211
false
[CIF] data_NbInFeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52406409 _cell_length_b 4.52406409 _cell_length_c 4.52406409 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbInFeMo _chemical_formula_sum 'Nb1 In1 Fe1 Mo1' _cell_volume 65.47435815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 4.79849460 4.79849460 4.79849460 1 Mo Mo2 1 1.59949820 1.59949820 1.59949820 1 Nb Nb3 1 3.19899640 3.19899640 3.19899640 1 [/CIF]
FeInMoNb
F-43m
216
cubic
-43m
9,118.2655
false
[CIF] data_NaBe2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00359448 _cell_length_b 5.00359448 _cell_length_c 2.43241525 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.48102726 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBe2Zn _chemical_formula_sum 'Na1 Be2 Zn1' _cell_volume 55.85502053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37206488 -2.09199125 1.21620762 1 Be Be1 1 1.37206488 2.09199126 1.21620762 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.74412975 0.00000000 0.00000000 1 [/CIF]
Be2NaZn
Cmmm
65
orthorhombic
mmm
3,163.039116
false
[CIF] data_ScTaRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14358050 _cell_length_b 5.14358050 _cell_length_c 5.14358050 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaRu4 _chemical_formula_sum 'Sc1 Ta1 Ru4' _cell_volume 96.22360537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.54814674 2.72597456 4.54814674 1 Ru Ru1 1 2.72597456 4.54814674 4.54814674 1 Ru Ru2 1 2.72597456 2.72597456 2.72597456 1 Ru Ru3 1 4.54814674 4.54814674 2.72597456 1 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1 Ta Ta5 1 5.45559098 5.45559098 5.45559097 1 [/CIF]
Ru4ScTa
F-43m
216
cubic
-43m
10,875.136114
false
[CIF] data_NiBiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35480607 _cell_length_b 3.35480607 _cell_length_c 9.11614898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiBiPb2 _chemical_formula_sum 'Ni1 Bi1 Pb2' _cell_volume 102.59973859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67740303 1.67740303 5.20749199 1 Ni Ni1 1 0.00000000 0.00000000 6.74057381 1 Pb Pb2 1 1.67740303 1.67740303 8.55526925 1 Pb Pb3 1 0.00000000 0.00000000 2.28703740 1 [/CIF]
BiNiPb2
P4mm
99
tetragonal
4mm
11,039.11381
false
[CIF] data_HfBeZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24663043 _cell_length_b 4.24663043 _cell_length_c 5.21951580 _cell_angle_alpha 103.84360258 _cell_angle_beta 103.84360258 _cell_angle_gamma 42.67445031 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeZn2 _chemical_formula_sum 'Hf1 Be1 Zn2' _cell_volume 61.66198412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 3.28808729 -0.00000000 2.86109054 1 Hf Hf1 1 5.66192361 -0.00000000 1.35917488 1 Zn Zn2 1 6.56377936 -0.00000000 4.73022714 1 Zn Zn3 1 0.91195939 -0.00000000 3.66042174 1 [/CIF]
BeHfZn2
Cm
8
monoclinic
m
8,570.7068
false
[CIF] data_K2MoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45623894 _cell_length_b 4.60693815 _cell_length_c 5.55008981 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MoAu _chemical_formula_sum 'K2 Mo1 Au1' _cell_volume 113.94121910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30346908 2.77504491 1 K K1 1 2.22811947 2.30346908 0.00000000 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 2.22811947 0.00000000 2.77504491 1 [/CIF]
AuK2Mo
Pmmm
47
orthorhombic
mmm
5,408.61793
false
[CIF] data_YSiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81175861 _cell_length_b 5.81175861 _cell_length_c 5.81175861 _cell_angle_alpha 148.43079514 _cell_angle_beta 148.43079514 _cell_angle_gamma 45.24982589 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSiOs _chemical_formula_sum 'Y1 Si1 Os1' _cell_volume 53.63046874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 -0.00000000 0.00000000 10.39251201 1 Si Si1 1 -0.00000000 0.00000000 3.93646598 1 Y Y2 1 0.00000000 0.00000000 7.12903521 1 [/CIF]
OsSiY
I4mm
107
tetragonal
4mm
9,512.520081
false
[CIF] data_KMgZn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53755534 _cell_length_b 5.53755534 _cell_length_c 5.53755534 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgZn4 _chemical_formula_sum 'K1 Mg1 Zn4' _cell_volume 120.07130746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95782147 1.95782147 1.95782147 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.93365098 2.93365098 4.89763488 1 Zn Zn3 1 4.89763488 4.89763488 4.89763488 1 Zn Zn4 1 4.89763488 2.93365098 2.93365098 1 Zn Zn5 1 2.93365098 4.89763488 2.93365098 1 [/CIF]
KMgZn4
F-43m
216
cubic
-43m
4,493.56174
false
[CIF] data_CaLaTiFeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51302363 _cell_length_b 5.56980732 _cell_length_c 9.55634350 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.19589064 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaTiFeO6 _chemical_formula_sum 'Ca2 La2 Ti2 Fe2 O12' _cell_volume 239.79649028 _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 Ca Ca0 1 2.69318854 1.61511061 1.95290318 1 Ca Ca1 1 -0.06082403 3.95469671 5.85755938 1 La La2 1 0.04509446 4.35132614 1.94687384 1 La La3 1 -2.70891810 1.21848118 5.85153004 1 Ti Ti4 1 0.00175188 1.39400074 3.89194662 1 Ti Ti5 1 -2.75226069 4.17580658 7.79660282 1 Fe Fe6 1 0.00130877 1.39248915 0.00202980 1 Fe Fe7 1 -2.75270380 4.17731817 3.90668600 1 O O8 1 -3.21932152 4.27575126 5.89290839 1 O O9 1 -1.20277762 5.35242231 7.46806193 1 O O10 1 -1.15804983 5.40188593 4.26047143 1 O O11 1 1.59596273 0.16792139 0.35581523 1 O O12 1 1.55123494 0.21738501 3.56340573 1 O O13 1 -0.46530896 1.29405606 1.98825219 1 O O14 1 0.44024802 1.50843783 5.82698264 1 O O15 1 -1.52158029 2.59410534 4.23700609 1 O O16 1 -1.56538880 2.62513090 7.47204210 1 O O17 1 1.18862376 2.94467642 3.56738590 1 O O18 1 1.23243228 2.97570198 0.33234989 1 O O19 1 3.19426058 4.06136949 1.92232644 1 [/CIF]
Ca2Fe2La2O12Ti2
Pc
7
monoclinic
m
5,244.719333
false
[CIF] data_VZnSiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20081301 _cell_length_b 5.53966445 _cell_length_c 7.23770580 _cell_angle_alpha 106.63908817 _cell_angle_beta 106.38397553 _cell_angle_gamma 101.72102030 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnSiO5 _chemical_formula_sum 'V2 Zn2 Si2 O10' _cell_volume 182.30733460 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 -1.02078122 -1.27008134 3.23125291 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.90646579 -0.00690657 4.62576473 1 Zn Zn3 1 0.12742116 2.89089718 1.83674109 1 Si Si4 1 -0.63405741 1.60395678 4.88537005 1 Si Si5 1 2.66794436 1.28003383 1.57713577 1 O O6 1 -2.11015920 1.34002176 5.57981800 1 O O7 1 -0.75775239 2.76498162 3.73886982 1 O O8 1 4.14404614 1.54396884 0.88268782 1 O O9 1 2.79163934 0.11900899 2.72363600 1 O O10 1 2.03210755 2.65388112 2.22264317 1 O O11 1 1.55991029 0.83869486 0.45761004 1 O O12 1 0.00177939 0.23010949 4.23986266 1 O O13 1 0.47397666 2.04529575 6.00489579 1 O O14 1 -1.09942890 4.43309577 1.73654640 1 O O15 1 3.13331584 -1.54910516 4.72595942 1 [/CIF]
O10Si2V2Zn2
P-1
2
triclinic
-1
4,087.94972
false
[CIF] data_YNb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56135620 _cell_length_b 5.56135620 _cell_length_c 5.56135620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNb5 _chemical_formula_sum 'Y1 Nb5' _cell_volume 121.62619997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 4.91623365 2.94871171 2.94871171 1 Nb Nb1 1 1.96623634 1.96623634 1.96623634 1 Nb Nb2 1 2.94871171 4.91623365 2.94871171 1 Nb Nb3 1 2.94871171 2.94871171 4.91623365 1 Nb Nb4 1 4.91623365 4.91623365 4.91623365 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb5Y
F-43m
216
cubic
-43m
7,555.978934
false
[CIF] data_TeAsPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60279862 _cell_length_b 4.60279862 _cell_length_c 3.51128364 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.41294300 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeAsPt2 _chemical_formula_sum 'Te1 As1 Pt2' _cell_volume 74.05747029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.54867826 1.70236142 1.75564182 1 Pt Pt2 1 1.54867827 -1.70236143 1.75564182 1 Te Te3 1 3.09735653 -0.00000000 0.00000000 1 [/CIF]
AsPt2Te
Cmmm
65
orthorhombic
mmm
13,289.466023
false
[CIF] data_Li2AgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09484643 _cell_length_b 5.09484643 _cell_length_c 5.09484643 _cell_angle_alpha 132.64211384 _cell_angle_beta 132.64211384 _cell_angle_gamma 69.21674905 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2AgHg _chemical_formula_sum 'Li2 Ag1 Hg1' _cell_volume 70.22519893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 4.19333048 1 Hg Hg1 1 -0.00000000 2.04614755 2.09666524 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Li Li3 1 2.04614755 -0.00000000 2.09666524 1 [/CIF]
AgHgLi2
I-4m2
119
tetragonal
-42m
7,622.028887
false
[CIF] data_ScTiTlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00597510 _cell_length_b 5.00597510 _cell_length_c 5.00597510 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTiTlHg _chemical_formula_sum 'Sc1 Ti1 Tl1 Hg1' _cell_volume 88.70560403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.76987947 1.76987947 1.76987947 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 5.30963841 5.30963841 5.30963841 1 Tl Tl3 1 3.53975894 3.53975894 3.53975894 1 [/CIF]
HgScTiTl
F-43m
216
cubic
-43m
9,318.577629
false
[CIF] data_LaTlAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15793833 _cell_length_b 5.15793833 _cell_length_c 5.15793833 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlAg2 _chemical_formula_sum 'La1 Tl1 Ag2' _cell_volume 97.03165479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.47081975 5.47081975 5.47081975 1 Ag Ag1 1 1.82360658 1.82360658 1.82360658 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.64721317 3.64721317 3.64721317 1 [/CIF]
Ag2LaTl
Fm-3m
225
cubic
m-3m
9,566.807204
false
[CIF] data_CaYMgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40791034 _cell_length_b 5.40791034 _cell_length_c 5.40791034 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYMgIn _chemical_formula_sum 'Ca1 Y1 Mg1 In1' _cell_volume 111.83389447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.82397007 3.82397007 3.82397007 1 In In1 1 1.91198503 1.91198504 1.91198504 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.73595511 5.73595511 5.73595511 1 [/CIF]
CaInMgY
F-43m
216
cubic
-43m
3,980.920995
false
[CIF] data_Tl2VTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68951093 _cell_length_b 4.68951093 _cell_length_c 4.68951093 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2VTc _chemical_formula_sum 'Tl2 V1 Tc1' _cell_volume 72.92352605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 3.31598498 3.31598498 3.31598498 1 Tl Tl1 1 1.65799249 1.65799249 1.65799249 1 Tl Tl2 1 4.97397747 4.97397747 4.97397747 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TcTl2V
Fm-3m
225
cubic
m-3m
12,720.186729
false
[CIF] data_KLiHfRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85650178 _cell_length_b 4.85650178 _cell_length_c 4.85650178 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiHfRe _chemical_formula_sum 'K1 Li1 Hf1 Re1' _cell_volume 80.99452417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15109801 5.15109801 5.15109801 1 K K1 1 1.71703267 1.71703267 1.71703267 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.43406534 3.43406534 3.43406534 1 [/CIF]
HfKLiRe
F-43m
216
cubic
-43m
8,420.861524
false
[CIF] data_RbSi3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99491471 _cell_length_b 4.99491471 _cell_length_c 4.99491471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbSi3Ir _chemical_formula_sum 'Rb1 Si3 Ir1' _cell_volume 124.61899102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 2.49745735 0.00000000 1 Si Si1 1 0.00000000 0.00000000 2.49745735 1 Si Si2 1 2.49745735 0.00000000 0.00000000 1 Ir Ir3 1 2.49745735 2.49745735 2.49745735 1 Rb Rb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRbSi3
Pm-3m
221
cubic
m-3m
4,822.841716
false