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_SrYCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42301340 _cell_length_b 5.42301340 _cell_length_c 5.42301340 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYCd2 _chemical_formula_sum 'Sr1 Y1 Cd2' _cell_volume 112.77349369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.83464955 3.83464955 3.83464955 1 Cd Cd1 1 1.91732477 1.91732477 1.91732477 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.75197432 5.75197432 5.75197432 1 [/CIF]
Cd2SrY
F-43m
216
cubic
-43m
5,909.666912
false
[CIF] data_Sr5As24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90555489 _cell_length_b 9.90555489 _cell_length_c 9.90555489 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5As24 _chemical_formula_sum 'Sr5 As24' _cell_volume 748.19454144 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.11249100 -1.11249100 2.91735221 1 As As1 1 -1.11249100 1.11249100 2.91735221 1 As As2 1 1.11249100 1.11249100 8.52059735 1 As As3 1 4.60648378 4.60648378 2.80162257 1 As As4 1 1.11249100 8.52059735 1.11249100 1 As As5 1 4.60648378 2.80162257 4.60648378 1 As As6 1 -1.11249100 2.91735221 1.11249100 1 As As7 1 1.11249100 2.91735221 -1.11249100 1 As As8 1 2.91735221 -1.11249100 1.11249100 1 As As9 1 2.91735221 1.11249100 -1.11249100 1 As As10 1 2.80162257 4.60648378 4.60648378 1 As As11 1 8.52059735 1.11249100 1.11249100 1 As As12 1 -1.23114137 1.23114137 5.83588555 1 As As13 1 1.23114137 -1.23114137 5.83588555 1 As As14 1 4.48783341 4.48783341 -0.11691077 1 As As15 1 1.23114137 1.23114137 5.60206401 1 As As16 1 4.48783341 -0.11691077 4.48783341 1 As As17 1 1.23114137 5.60206401 1.23114137 1 As As18 1 1.23114137 5.83588555 -1.23114137 1 As As19 1 -1.23114137 5.83588555 1.23114137 1 As As20 1 5.83588555 1.23114137 -1.23114137 1 As As21 1 5.83588555 -1.23114137 1.23114137 1 As As22 1 5.60206401 1.23114137 1.23114137 1 As As23 1 -0.11691077 4.48783341 4.48783341 1 Sr Sr24 1 3.43676259 -3.43676259 3.43676259 1 Sr Sr25 1 -3.43676259 3.43676259 3.43676259 1 Sr Sr26 1 3.43676259 3.43676259 -3.43676259 1 Sr Sr27 1 2.28221219 2.28221219 2.28221219 1 Sr Sr28 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As24Sr5
I-43m
217
cubic
-43m
4,963.051465
false
[CIF] data_CuSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86546340 _cell_length_b 4.00220673 _cell_length_c 5.30051531 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.22097387 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSb _chemical_formula_sum 'Cu2 Sb2' _cell_volume 76.44062880 _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 Cu Cu0 1 1.96606114 1.00055168 4.14218254 1 Cu Cu1 1 -0.01920319 3.00165505 0.79891204 1 Sb Sb2 1 1.93231141 1.00055168 1.39020310 1 Sb Sb3 1 0.01454653 3.00165505 3.55089148 1 [/CIF]
Cu2Sb2
P2_1/m
11
monoclinic
2/m
8,050.897987
false
[CIF] data_Mg2CrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01189932 _cell_length_b 3.01189932 _cell_length_c 7.14744987 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CrRu _chemical_formula_sum 'Mg2 Cr1 Ru1' _cell_volume 64.83835962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09858712 1 Mg Mg1 1 1.50594966 1.50594966 6.88949855 1 Mg Mg2 1 0.00000000 0.00000000 2.03767263 1 Ru Ru3 1 1.50594966 1.50594966 3.84286638 1 [/CIF]
CrMg2Ru
P4mm
99
tetragonal
4mm
5,165.014118
false
[CIF] data_Li2CaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46509700 _cell_length_b 3.46509700 _cell_length_c 6.90659866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CaCu _chemical_formula_sum 'Li2 Ca1 Cu1' _cell_volume 82.92682025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.71666935 1 Cu Cu1 1 1.73254850 1.73254850 5.51963824 1 Li Li2 1 0.00000000 0.00000000 6.67936466 1 Li Li3 1 1.73254850 1.73254850 1.35082441 1 [/CIF]
CaCuLi2
P4mm
99
tetragonal
4mm
2,352.95774
false
[CIF] data_BeCdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50984998 _cell_length_b 4.50984998 _cell_length_c 4.50984998 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCdHg _chemical_formula_sum 'Be1 Cd1 Hg1' _cell_volume 64.85915510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78341825 4.78341825 4.78341825 1 Hg Hg2 1 3.18894550 3.18894550 3.18894550 1 [/CIF]
BeCdHg
F-43m
216
cubic
-43m
8,244.255848
false
[CIF] data_YZr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65194461 _cell_length_b 5.65194461 _cell_length_c 3.12337943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.64284952 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr2Ir _chemical_formula_sum 'Y1 Zr2 Ir1' _cell_volume 85.84229151 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.79846895 -0.00000000 0.00000000 1 Y Y1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.39923448 2.45525199 1.56168971 1 Zr Zr3 1 1.39923448 -2.45525199 1.56168971 1 [/CIF]
IrYZr2
Cmmm
65
orthorhombic
mmm
8,967.345734
false
[CIF] data_SrLiLaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18526707 _cell_length_b 5.18526707 _cell_length_c 5.18526707 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiLaFe _chemical_formula_sum 'Sr1 Li1 La1 Fe1' _cell_volume 98.58217432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.66653751 3.66653751 3.66653751 1 La La1 1 1.83326876 1.83326875 1.83326876 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 5.49980627 5.49980627 5.49980627 1 [/CIF]
FeLaLiSr
F-43m
216
cubic
-43m
4,873.223802
false
[CIF] data_NbCuRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17375929 _cell_length_b 5.17375929 _cell_length_c 5.17375929 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCuRe4 _chemical_formula_sum 'Nb1 Cu1 Re4' _cell_volume 97.92727293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.82920014 1.82920014 1.82920014 1 Re Re2 1 2.73990848 2.73990848 4.57689208 1 Re Re3 1 2.73990848 4.57689208 2.73990848 1 Re Re4 1 4.57689208 2.73990848 2.73990848 1 Re Re5 1 4.57689208 4.57689208 4.57689208 1 [/CIF]
CuNbRe4
F-43m
216
cubic
-43m
15,282.88531
false
[CIF] data_BeAlVRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15843622 _cell_length_b 4.15843622 _cell_length_c 4.15843622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlVRu _chemical_formula_sum 'Be1 Al1 V1 Ru1' _cell_volume 50.84814766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94045845 2.94045845 2.94045845 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.41068768 4.41068768 4.41068768 1 V V3 1 1.47022922 1.47022922 1.47022922 1 [/CIF]
AlBeRuV
F-43m
216
cubic
-43m
6,139.653614
false
[CIF] data_ZrTa2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42826400 _cell_length_b 5.42826400 _cell_length_c 5.42826400 _cell_angle_alpha 136.73371569 _cell_angle_beta 136.73371569 _cell_angle_gamma 62.84801600 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTa2Pt _chemical_formula_sum 'Zr1 Ta2 Pt1' _cell_volume 74.20251018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 4.63211360 1 Ta Ta1 1 0.00000000 2.00119635 2.31605680 1 Ta Ta2 1 2.00119635 -0.00000000 2.31605680 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtTa2Zr
I4/mmm
139
tetragonal
4/mmm
14,505.812053
false
[CIF] data_NaTi2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90651262 _cell_length_b 3.94283952 _cell_length_c 7.21363788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi2Nb _chemical_formula_sum 'Na1 Ti2 Nb1' _cell_volume 82.66766125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58975465 1 Nb Nb1 1 1.45325631 1.97141976 5.81759827 1 Ti Ti2 1 0.00000000 0.00000000 0.01492191 1 Ti Ti3 1 1.45325631 1.97141976 1.39818199 1 [/CIF]
NaNbTi2
Pmm2
25
orthorhombic
mm2
4,250.998822
false
[CIF] data_ScTlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64741016 _cell_length_b 4.64741016 _cell_length_c 4.64741016 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlPd _chemical_formula_sum 'Sc1 Tl1 Pd1' _cell_volume 70.97706093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64310762 1.64310762 1.64310762 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 4.92932286 4.92932286 4.92932286 1 [/CIF]
PdScTl
F-43m
216
cubic
-43m
8,323.140774
false
[CIF] data_CrCdIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26560309 _cell_length_b 4.26560309 _cell_length_c 4.26560309 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCdIr _chemical_formula_sum 'Cr1 Cd1 Ir1' _cell_volume 54.88154499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.01623687 3.01623687 3.01623687 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 1.50811844 1.50811844 1.50811844 1 [/CIF]
CdCrIr
F-43m
216
cubic
-43m
10,790.298456
false
[CIF] data_BaTiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82847277 _cell_length_b 4.82847277 _cell_length_c 2.92147531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiB2 _chemical_formula_sum 'Ba1 Ti1 B2' _cell_volume 68.11171153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41423639 1.46073766 1 B B1 1 2.41423639 0.00000000 1.46073766 1 Ba Ba2 1 2.41423639 2.41423639 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2BaTi
P4/mmm
123
tetragonal
4/mmm
5,042.204606
false
[CIF] data_La2TaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27919135 _cell_length_b 5.27919135 _cell_length_c 5.27919135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TaAs _chemical_formula_sum 'La2 Ta1 As1' _cell_volume 104.03685436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.59942800 5.59942800 5.59942800 1 La La2 1 1.86647600 1.86647600 1.86647600 1 Ta Ta3 1 3.73295200 3.73295200 3.73295200 1 [/CIF]
AsLa2Ta
Fm-3m
225
cubic
m-3m
8,518.108241
false
[CIF] data_BiIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44984687 _cell_length_b 4.44984687 _cell_length_c 3.20357811 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiIrRh _chemical_formula_sum 'Bi1 Ir1 Rh1' _cell_volume 54.93587946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.22492346 1.28456013 0.01071677 1 Ir Ir1 1 0.00000002 2.56912028 0.97985025 1 Rh Rh2 1 0.00000000 0.00000000 2.21301110 1 [/CIF]
BiIrRh
P3m1
156
trigonal
3m
15,237.447111
false
[CIF] data_Re2B3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79113268 _cell_length_b 3.79113268 _cell_length_c 4.31173508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2B3 _chemical_formula_sum 'Re2 B3' _cell_volume 53.66864972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 1.89556634 1.09440574 3.11087771 1 B B2 1 0.00000000 2.18881147 1.20085737 1 Re Re3 1 1.89556634 1.09440574 0.96998991 1 Re Re4 1 0.00000000 2.18881147 3.34174517 1 [/CIF]
B3Re2
P-3m1
164
trigonal
-3m
12,526.200362
false
[CIF] data_CaFeCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46934264 _cell_length_b 4.46934264 _cell_length_c 4.46934264 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeCu2 _chemical_formula_sum 'Ca1 Fe1 Cu2' _cell_volume 63.12711700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.58015125 1.58015125 1.58015125 1 Cu Cu2 1 4.74045374 4.74045374 4.74045374 1 Fe Fe3 1 3.16030249 3.16030249 3.16030249 1 [/CIF]
CaCu2Fe
Fm-3m
225
cubic
m-3m
5,866.339816
false
[CIF] data_Na2GdV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25108784 _cell_length_b 5.25108784 _cell_length_c 5.25108784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2GdV _chemical_formula_sum 'Na2 Gd1 V1' _cell_volume 102.38417915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.71307982 3.71307982 3.71307982 1 Na Na1 1 1.85653991 1.85653991 1.85653991 1 Na Na2 1 5.56961973 5.56961973 5.56961973 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GdNa2V
Fm-3m
225
cubic
m-3m
4,122.32576
false
[CIF] data_TaAg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86713839 _cell_length_b 4.86713839 _cell_length_c 4.86713839 _cell_angle_alpha 129.89966151 _cell_angle_beta 129.89966151 _cell_angle_gamma 73.56722320 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAg2Ir _chemical_formula_sum 'Ta1 Ag2 Ir1' _cell_volume 66.21959023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06080324 1.94905209 1 Ag Ag1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 2.06080324 0.00000000 1.94905208 1 Ta Ta3 1 0.00000000 0.00000000 3.89810417 1 [/CIF]
Ag2IrTa
I-4m2
119
tetragonal
-42m
14,767.43632
false
[CIF] data_ZrPt2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.45241354 _cell_length_b 9.45241354 _cell_length_c 9.45241354 _cell_angle_alpha 17.48363920 _cell_angle_beta 17.48363920 _cell_angle_gamma 17.48363920 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPt2Rh _chemical_formula_sum 'Zr1 Pt2 Rh1' _cell_volume 66.52911455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 -0.00000000 -0.00000000 27.91131096 1 Pt Pt1 1 -0.00000000 0.00000000 20.96993234 1 Rh Rh2 1 0.00000000 -0.00000000 13.96430882 1 Zr Zr3 1 0.00000000 -0.00000000 6.94732358 1 [/CIF]
Pt2RhZr
R3m
160
trigonal
3m
14,583.822914
false
[CIF] data_TiSnHgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14680963 _cell_length_b 5.14680963 _cell_length_c 5.14680963 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSnHgTe _chemical_formula_sum 'Ti1 Sn1 Hg1 Te1' _cell_volume 96.40494618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.63934399 3.63934399 3.63934399 1 Sn Sn1 1 1.81967199 1.81967199 1.81967199 1 Te Te2 1 5.45901599 5.45901599 5.45901599 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSnTeTi
F-43m
216
cubic
-43m
8,522.176143
false
[CIF] data_HfBi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67510632 _cell_length_b 5.67510632 _cell_length_c 5.67510632 _cell_angle_alpha 134.46209451 _cell_angle_beta 134.46209451 _cell_angle_gamma 66.36714194 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBi2Pt _chemical_formula_sum 'Hf1 Bi2 Pt1' _cell_volume 91.64830510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74961729 1 Bi Bi1 1 0.00000000 2.19635691 2.37480864 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.19635691 0.00000000 2.37480864 1 [/CIF]
Bi2HfPt
I-4m2
119
tetragonal
-42m
14,341.503169
false
[CIF] data_TlGaReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53703102 _cell_length_b 4.53703102 _cell_length_c 4.53703102 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaReTc _chemical_formula_sum 'Tl1 Ga1 Re1 Tc1' _cell_volume 66.03896340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 4.81224810 4.81224810 4.81224810 1 Tc Tc2 1 1.60408270 1.60408270 1.60408270 1 Tl Tl3 1 3.20816540 3.20816540 3.20816540 1 [/CIF]
GaReTcTl
F-43m
216
cubic
-43m
14,061.48399
false
[CIF] data_TlCd2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30171960 _cell_length_b 4.92904279 _cell_length_c 6.28403653 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.77531235 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCd2Ga _chemical_formula_sum 'Tl1 Cd2 Ga1' _cell_volume 101.07127103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.21896768 0.00000000 0.16528613 1 Cd Cd1 1 2.18930398 2.46452140 1.55726951 1 Ga Ga2 1 1.28009733 0.00000000 2.97970205 1 Tl Tl3 1 0.12789099 2.46452140 4.61345768 1 [/CIF]
Cd2GaTl
Pm
6
monoclinic
m
8,197.086324
false
[CIF] data_In2FeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59668407 _cell_length_b 4.59668407 _cell_length_c 4.59668407 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2FeMo _chemical_formula_sum 'In2 Fe1 Mo1' _cell_volume 68.67821051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25034648 3.25034648 3.25034648 1 In In2 1 1.62517324 1.62517324 1.62517324 1 Mo Mo3 1 4.87551972 4.87551972 4.87551972 1 [/CIF]
FeIn2Mo
F-43m
216
cubic
-43m
9,222.687624
false
[CIF] data_CaZnPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74659436 _cell_length_b 4.74659436 _cell_length_c 4.74659436 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZnPtAu _chemical_formula_sum 'Ca1 Zn1 Pt1 Au1' _cell_volume 75.61907471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67817453 1.67817453 1.67817453 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.35634906 3.35634906 3.35634906 1 Zn Zn3 1 5.03452359 5.03452359 5.03452359 1 [/CIF]
AuCaPtZn
F-43m
216
cubic
-43m
10,924.920967
false
[CIF] data_GaHgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84533913 _cell_length_b 2.84533913 _cell_length_c 9.17467865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.65686614 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaHgOs2 _chemical_formula_sum 'Ga1 Hg1 Os2' _cell_volume 65.17930753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 0.00000000 4.58733932 1 Os Os2 1 1.45145345 0.00000000 7.10057483 1 Os Os3 1 1.45145345 0.00000000 2.07410382 1 [/CIF]
GaHgOs2
Cmmm
65
orthorhombic
mmm
16,579.402743
false
[CIF] data_TiCdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38640560 _cell_length_b 3.38640560 _cell_length_c 8.25545222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdBr2 _chemical_formula_sum 'Ti1 Cd1 Br2' _cell_volume 94.67140320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69320280 1.69320280 7.71670075 1 Br Br1 1 0.00000000 0.00000000 2.43659466 1 Cd Cd2 1 1.69320280 1.69320280 4.18480365 1 Ti Ti3 1 0.00000000 0.00000000 6.30053158 1 [/CIF]
Br2CdTi
P4mm
99
tetragonal
4mm
5,614.361496
false
[CIF] data_BaAlVPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01776954 _cell_length_b 5.01776954 _cell_length_c 5.01776954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAlVPt _chemical_formula_sum 'Ba1 Al1 V1 Pt1' _cell_volume 89.33407303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 5.32214831 5.32214831 5.32214831 1 Pt Pt2 1 3.54809887 3.54809887 3.54809887 1 V V3 1 1.77404944 1.77404944 1.77404944 1 [/CIF]
AlBaPtV
F-43m
216
cubic
-43m
7,627.276787
false
[CIF] data_CuAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62119776 _cell_length_b 4.62119776 _cell_length_c 4.62119776 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAgAs2 _chemical_formula_sum 'Cu1 Ag1 As2' _cell_volume 69.78284371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26768027 3.26768027 3.26768027 1 As As1 1 1.63384013 1.63384013 1.63384013 1 As As2 1 4.90152041 4.90152041 4.90152041 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgAs2Cu
Fm-3m
225
cubic
m-3m
7,644.579022
false
[CIF] data_LiCaNbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60209378 _cell_length_b 4.60209378 _cell_length_c 4.60209378 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaNbOs _chemical_formula_sum 'Li1 Ca1 Nb1 Os1' _cell_volume 68.92097226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88125758 4.88125758 4.88125758 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.25417172 3.25417172 3.25417172 1 Os Os3 1 1.62708586 1.62708586 1.62708586 1 [/CIF]
CaLiNbOs
F-43m
216
cubic
-43m
7,954.558511
false
[CIF] data_KZrCrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87125064 _cell_length_b 4.87125064 _cell_length_c 4.87125064 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrCrPd _chemical_formula_sum 'K1 Zr1 Cr1 Pd1' _cell_volume 81.73469185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72224718 1.72224718 1.72224718 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.44449436 3.44449436 3.44449436 1 Zr Zr3 1 5.16674154 5.16674154 5.16674154 1 [/CIF]
CrKPdZr
F-43m
216
cubic
-43m
5,866.069626
false
[CIF] data_YbOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59771196 _cell_length_b 4.59771196 _cell_length_c 4.59771196 _cell_angle_alpha 124.56978853 _cell_angle_beta 124.56978853 _cell_angle_gamma 82.25183073 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbOs3 _chemical_formula_sum 'Yb1 Os3' _cell_volume 63.34035172 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Yb Yb0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 2.13828300 1.73165000 1 Os Os2 1 2.13828300 0.00000000 1.73165000 1 Os Os3 1 0.00000000 0.00000000 3.46330000 1 [/CIF]
Os3Yb
I4/mmm
139
tetragonal
4/mmm
19,498.091407
false
[CIF] data_Sr2AlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74804990 _cell_length_b 5.74804990 _cell_length_c 5.74804990 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlBi _chemical_formula_sum 'Sr2 Al1 Bi1' _cell_volume 134.29090181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 4.06448506 4.06448506 4.06448506 1 Sr Sr2 1 6.09672759 6.09672759 6.09672759 1 Sr Sr3 1 2.03224253 2.03224253 2.03224253 1 [/CIF]
AlBiSr2
Fm-3m
225
cubic
m-3m
5,084.610157
false
[CIF] data_Tl2PtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23530711 _cell_length_b 8.23530711 _cell_length_c 8.23530711 _cell_angle_alpha 153.30163364 _cell_angle_beta 152.84657845 _cell_angle_gamma 38.44808623 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2PtBr _chemical_formula_sum 'Tl2 Pt1 Br1' _cell_volume 114.33438677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.56278832 1 Pt Pt1 1 -0.00000000 1.93321378 4.19755109 1 Tl Tl2 1 -0.00000000 0.00000000 14.61461610 1 Tl Tl3 1 1.90140919 -0.00000000 3.72941354 1 [/CIF]
BrPtTl2
Imm2
44
orthorhombic
mm2
9,930.531464
false
[CIF] data_TiReGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46916083 _cell_length_b 8.46916083 _cell_length_c 8.46916083 _cell_angle_alpha 20.78443254 _cell_angle_beta 20.78443254 _cell_angle_gamma 20.78443254 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiReGe2 _chemical_formula_sum 'Ti1 Re1 Ge2' _cell_volume 66.97051880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 24.79047305 1 Ge Ge1 1 0.00000000 0.00000000 18.79072855 1 Re Re2 1 0.00000000 -0.00000000 12.47112498 1 Ti Ti3 1 0.00000000 0.00000000 6.07321417 1 [/CIF]
Ge2ReTi
R3m
160
trigonal
3m
9,406.111048
false
[CIF] data_Li3ZrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51003681 _cell_length_b 4.51003681 _cell_length_c 4.51003681 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3ZrPd _chemical_formula_sum 'Li3 Zr1 Pd1' _cell_volume 91.73609718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 2.25501840 2.25501840 2.25501840 1 Li Li2 1 2.25501840 0.00000000 2.25501840 1 Li Li3 1 2.25501840 2.25501840 0.00000000 1 Li Li4 1 0.00000000 2.25501840 2.25501840 1 [/CIF]
Li3PdZr
Pm-3m
221
cubic
m-3m
3,954.528255
false
[CIF] data_Li2ZnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16360017 _cell_length_b 4.69874856 _cell_length_c 5.16602536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZnPb _chemical_formula_sum 'Li2 Zn1 Pb1' _cell_volume 76.79276926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34937428 0.27057073 1 Li Li1 1 0.00000000 0.00000000 3.69443499 1 Pb Pb2 1 1.58180008 2.34937428 2.80924807 1 Zn Zn3 1 1.58180008 0.00000000 0.97478425 1 [/CIF]
Li2PbZn
Pmm2
25
orthorhombic
mm2
6,194.625797
false
[CIF] data_ScMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85217460 _cell_length_b 5.85217460 _cell_length_c 5.85217460 _cell_angle_alpha 138.54979077 _cell_angle_beta 138.54979077 _cell_angle_gamma 60.06200338 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnSb2 _chemical_formula_sum 'Sc1 Mn1 Sb2' _cell_volume 86.92210243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07099495 0.00000000 2.53327394 1 Sb Sb1 1 0.00000000 -0.00000000 5.06654788 1 Sb Sb2 1 -0.00000000 2.07099495 2.53327394 1 Sc Sc3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
MnSb2Sc
I-4m2
119
tetragonal
-42m
6,560.498143
false
[CIF] data_LaSbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64999111 _cell_length_b 3.64999111 _cell_length_c 6.73972100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSbW2 _chemical_formula_sum 'La1 Sb1 W2' _cell_volume 89.78949564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36986050 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.82499556 1.82499556 1.26130266 1 W W3 1 1.82499556 1.82499556 5.47841834 1 [/CIF]
LaSbW2
P4/mmm
123
tetragonal
4/mmm
11,620.426119
false
[CIF] data_SrSc2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13356495 _cell_length_b 5.13356495 _cell_length_c 5.13356495 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSc2Cu _chemical_formula_sum 'Sr1 Sc2 Cu1' _cell_volume 95.66260131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 1.81498930 1.81498930 1.81498930 1 Sc Sc2 1 5.44496789 5.44496789 5.44496789 1 Sr Sr3 1 3.62997859 3.62997859 3.62997859 1 [/CIF]
CuSc2Sr
Fm-3m
225
cubic
m-3m
4,184.698507
false
[CIF] data_VGaBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70022896 _cell_length_b 4.70022896 _cell_length_c 4.70022896 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGaBiPt _chemical_formula_sum 'V1 Ga1 Bi1 Pt1' _cell_volume 73.42467687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66178188 1.66178188 1.66178188 1 Ga Ga1 1 3.32356377 3.32356377 3.32356377 1 Pt Pt2 1 4.98534565 4.98534565 4.98534565 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGaPtV
F-43m
216
cubic
-43m
11,867.029927
false
[CIF] data_HfCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22664949 _cell_length_b 6.22664949 _cell_length_c 5.90121264 _cell_angle_alpha 104.59681784 _cell_angle_beta 104.59681784 _cell_angle_gamma 119.79560443 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCd _chemical_formula_sum 'Hf4 Cd4' _cell_volume 171.66480433 _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 Cd Cd0 1 -1.35059223 -2.67555694 5.08765307 1 Cd Cd1 1 4.63122942 -2.67555694 0.01447069 1 Cd Cd2 1 3.12293821 -0.05305140 0.00000000 1 Cd Cd3 1 1.64031859 -0.91689437 2.55106188 1 Hf Hf4 1 3.12293821 -5.35612793 0.00000000 1 Hf Hf5 1 3.18371504 1.77666141 2.46520396 1 Hf Hf6 1 0.09692214 1.77666141 2.63691981 1 Hf Hf7 1 1.64031859 4.53261449 2.55106188 1 [/CIF]
Cd4Hf4
C2
5
monoclinic
2
11,255.713759
false
[CIF] data_YB2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38602360 _cell_length_b 4.38602360 _cell_length_c 4.38602360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YB2Pt _chemical_formula_sum 'Y1 B2 Pt1' _cell_volume 59.66201194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 4.65208055 4.65208055 4.65208055 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.55069352 1.55069351 1.55069352 1 Y Y3 1 3.10138703 3.10138703 3.10138703 1 [/CIF]
B2PtY
F-43m
216
cubic
-43m
8,505.921937
false
[CIF] data_Li2PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06434355 _cell_length_b 5.06434355 _cell_length_c 2.66077614 _cell_angle_alpha 103.80901540 _cell_angle_beta 103.80901540 _cell_angle_gamma 115.28471684 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2PdRh _chemical_formula_sum 'Li2 Pd1 Rh1' _cell_volume 55.22844931 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.76190631 2.13898584 1.19075855 1 Li Li1 1 0.76190631 -2.13898583 1.19075855 1 Pd Pd2 1 2.71044903 -0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2PdRh
C2/m
12
monoclinic
2/m
6,711.120416
false
[CIF] data_SrW2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89556319 _cell_length_b 5.29702346 _cell_length_c 6.02143167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrW2Cl _chemical_formula_sum 'Sr1 W2 Cl1' _cell_volume 92.35591297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 0.00000000 2.64851173 0.00000000 1 W W2 1 1.44778159 1.44583219 3.01071584 1 W W3 1 1.44778159 3.85119127 3.01071584 1 [/CIF]
ClSrW2
Pmmm
47
orthorhombic
mmm
8,823.631345
false
[CIF] data_Li3SbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20079496 _cell_length_b 6.16367700 _cell_length_c 5.18576968 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.63251625 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3SbO4 _chemical_formula_sum 'Li6 Sb2 O8' _cell_volume 157.52229597 _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 -1.24262890 3.53239096 3.68547689 1 Li Li1 1 -0.41420963 2.63128604 1.22849230 1 Li Li2 1 1.35776858 2.39662253 3.68547689 1 Li Li3 1 2.18618785 3.76705447 1.22849230 1 Li Li4 1 -0.41420963 5.26533957 1.22849230 1 Li Li5 1 -1.24262890 0.89833743 3.68547689 1 Sb Sb6 1 1.35776858 5.27783951 3.68547689 1 Sb Sb7 1 2.18618785 0.88583749 1.22849230 1 O O8 1 2.94323487 5.53365059 2.42954008 1 O O9 1 3.08776356 2.22339855 2.34011075 1 O O10 1 2.25934429 3.94027845 4.79709535 1 O O11 1 0.45619287 3.94027845 2.57385844 1 O O12 1 0.60072155 0.63002641 2.48442911 1 O O13 1 2.11481560 0.63002641 4.88652467 1 O O14 1 1.28461213 2.22339855 0.11687384 1 O O15 1 1.42914082 5.53365059 0.02744452 1 [/CIF]
Li6O8Sb2
P2/c
13
monoclinic
2/m
4,355.385434
false
[CIF] data_Na2Zn(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.46795981 _cell_length_b 5.22044967 _cell_length_c 11.41403851 _cell_angle_alpha 77.38890502 _cell_angle_beta 26.37459759 _cell_angle_gamma 76.23649740 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Zn(SiO3)2 _chemical_formula_sum 'Na4 Zn2 Si4 O12' _cell_volume 294.82543429 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 3.72550309 14.56272546 3.59916902 1 Na Na1 1 3.48827091 7.09558854 3.59916902 1 Na Na2 1 5.29171441 19.97730396 5.48619452 1 Na Na3 1 5.52894659 12.51016704 5.48619452 1 Zn Zn4 1 5.41033050 16.24373550 5.65027517 1 Zn Zn5 1 3.60688700 10.82915700 3.76324967 1 Si Si6 1 3.86960904 3.61155635 3.94968779 1 Si Si7 1 3.34416496 18.04675765 3.94968779 1 Si Si8 1 1.54072146 9.02613485 2.06266229 1 Si Si9 1 2.06616554 1.80302215 2.06266229 1 O O10 1 3.38205170 5.02594171 4.55332837 1 O O11 1 3.83172230 16.63237229 4.55332837 1 O O12 1 2.02827880 10.44052021 2.66630287 1 O O13 1 5.18549520 11.21779379 2.66630287 1 O O14 1 2.52896882 2.80601867 3.33165297 1 O O15 1 1.07791818 8.02313833 3.33165297 1 O O16 1 2.88136168 8.22059717 1.44462747 1 O O17 1 0.72552532 2.60855983 1.44462747 1 O O18 1 5.06782772 14.55112743 6.63390985 1 O O19 1 5.75283328 17.93634357 6.63390985 1 O O20 1 3.26438422 12.52176507 4.74688435 1 O O21 1 3.94938978 9.13654893 4.74688435 1 [/CIF]
Na4O12Si4Zn2
Fdd2
43
orthorhombic
mm2
2,968.51442
false
[CIF] data_K2TiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84556493 _cell_length_b 6.44029040 _cell_length_c 5.25071728 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.57961150 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TiW _chemical_formula_sum 'K2 Ti1 W1' _cell_volume 96.03829741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06657263 3.22014520 1.31981443 1 K K1 1 0.45116182 3.22014520 3.92065875 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.25886722 0.00000000 2.62023659 1 [/CIF]
K2TiW
P2/m
10
monoclinic
2/m
5,358.35233
false
[CIF] data_NaSc2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03940180 _cell_length_b 3.03940180 _cell_length_c 10.21289125 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.12383265 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSc2Ru _chemical_formula_sum 'Na1 Sc2 Ru1' _cell_volume 86.76636382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75880882 1 Ru Ru1 1 1.67481838 0.00000000 2.27576909 1 Sc Sc2 1 0.00000000 0.00000000 0.44399227 1 Sc Sc3 1 1.67481838 0.00000000 7.84076669 1 [/CIF]
NaRuSc2
Cmm2
35
orthorhombic
mm2
4,094.999193
false
[CIF] data_ReBi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40524325 _cell_length_b 3.40524325 _cell_length_c 8.13330597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBi2Cl _chemical_formula_sum 'Re1 Bi2 Cl1' _cell_volume 94.31122648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70262163 1.70262163 5.78222976 1 Bi Bi1 1 1.70262163 1.70262163 2.35107621 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 4.06665299 1 [/CIF]
Bi2ClRe
P4/mmm
123
tetragonal
4/mmm
11,262.085698
false
[CIF] data_CrOsW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74643105 _cell_length_b 4.74643105 _cell_length_c 4.74643105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrOsW3 _chemical_formula_sum 'Cr1 Os1 W3' _cell_volume 106.93048316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 2.37321552 2.37321552 2.37321552 1 W W2 1 2.37321552 0.00000000 2.37321552 1 W W3 1 2.37321552 2.37321552 0.00000000 1 W W4 1 0.00000000 2.37321552 2.37321552 1 [/CIF]
CrOsW3
Pm-3m
221
cubic
m-3m
12,326.198938
false
[CIF] data_TiTlCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18584025 _cell_length_b 3.18584025 _cell_length_c 6.54183501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTlCr2 _chemical_formula_sum 'Ti1 Tl1 Cr2' _cell_volume 66.39686534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59292013 1.59292013 5.07373164 1 Cr Cr1 1 1.59292013 1.59292013 1.46810337 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.27091751 1 [/CIF]
Cr2TiTl
P4/mmm
123
tetragonal
4/mmm
8,909.375245
false
[CIF] data_TcSbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30108876 _cell_length_b 3.30108876 _cell_length_c 7.80419740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcSbBr _chemical_formula_sum 'Tc1 Sb1 Br1' _cell_volume 73.65009005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 7.11152415 1 Sb Sb1 1 1.65054438 0.95294224 3.26648756 1 Tc Tc2 1 0.00000000 1.90588449 5.23038309 1 [/CIF]
BrSbTc
P3m1
156
trigonal
3m
6,776.754236
false
[CIF] data_BeZnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93262892 _cell_length_b 3.93262892 _cell_length_c 3.93262892 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZnCr _chemical_formula_sum 'Be1 Zn1 Cr1' _cell_volume 43.00648114 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 2.78078858 2.78078858 2.78078858 1 Zn Zn2 1 1.39039429 1.39039429 1.39039429 1 [/CIF]
BeCrZn
F-43m
216
cubic
-43m
4,880.024458
false
[CIF] data_Al2GaSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89952602 _cell_length_b 4.89952602 _cell_length_c 2.76303197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2GaSi _chemical_formula_sum 'Al2 Ga1 Si1' _cell_volume 66.32756393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44976301 1.38151599 1 Al Al1 1 2.44976301 0.00000000 1.38151599 1 Ga Ga2 1 2.44976301 2.44976301 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2GaSi
P4/mmm
123
tetragonal
4/mmm
3,799.666658
false
[CIF] data_HoInO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32917496 _cell_length_b 4.32917496 _cell_length_c 4.32917496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoInO3 _chemical_formula_sum 'Ho1 In1 O3' _cell_volume 81.13634006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 2.16458748 2.16458748 2.16458748 1 In In1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 2.16458748 2.16458748 0.00000000 1 O O3 1 2.16458748 0.00000000 2.16458748 1 O O4 1 0.00000000 2.16458748 2.16458748 1 [/CIF]
HoInO3
Pm-3m
221
cubic
m-3m
6,707.671309
false
[CIF] data_BaTl2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55788370 _cell_length_b 5.55788370 _cell_length_c 5.55788370 _cell_angle_alpha 120.92312863 _cell_angle_beta 120.92312863 _cell_angle_gamma 88.40839519 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTl2Ag _chemical_formula_sum 'Ba1 Tl2 Ag1' _cell_volume 119.65452750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 0.00000000 0.00000000 3.98422190 1 Tl Tl2 1 -0.00000000 2.74007729 1.99211095 1 Tl Tl3 1 2.74007729 0.00000000 1.99211095 1 [/CIF]
AgBaTl2
I4/mmm
139
tetragonal
4/mmm
9,075.537213
false
[CIF] data_AlIrW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22988811 _cell_length_b 5.22988811 _cell_length_c 5.22988811 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIrW4 _chemical_formula_sum 'Al1 Ir1 W4' _cell_volume 101.14914024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.84904468 1.84904468 1.84904468 1 W W2 1 2.76266492 2.76266492 4.63351378 1 W W3 1 2.76266492 4.63351378 2.76266492 1 W W4 1 4.63351378 2.76266492 2.76266492 1 W W5 1 4.63351378 4.63351378 4.63351378 1 [/CIF]
AlIrW4
F-43m
216
cubic
-43m
15,670.738683
false
[CIF] data_TiCrNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24054922 _cell_length_b 4.24054922 _cell_length_c 4.24054922 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrNiIr _chemical_formula_sum 'Ti1 Cr1 Ni1 Ir1' _cell_volume 53.92017930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49926055 1.49926055 1.49926055 1 Ir Ir1 1 4.49778166 4.49778166 4.49778166 1 Ni Ni2 1 2.99852111 2.99852111 2.99852111 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrIrNiTi
F-43m
216
cubic
-43m
10,802.506739
false
[CIF] data_TiMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29074079 _cell_length_b 4.29074079 _cell_length_c 4.29074079 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMoP2 _chemical_formula_sum 'Ti1 Mo1 P2' _cell_volume 55.85754441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03401191 3.03401191 3.03401191 1 P P1 1 1.51700596 1.51700595 1.51700595 1 P P2 1 4.55101786 4.55101787 4.55101787 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoP2Ti
Fm-3m
225
cubic
m-3m
6,117.287103
false
[CIF] data_Nb4SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34043317 _cell_length_b 5.34043317 _cell_length_c 5.34043317 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4SiP _chemical_formula_sum 'Nb4 Si1 P1' _cell_volume 107.69969083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72284904 4.72284904 2.82966398 1 Nb Nb1 1 4.72284904 2.82966398 4.72284904 1 Nb Nb2 1 2.82966398 4.72284904 4.72284904 1 Nb Nb3 1 2.82966398 2.82966398 2.82966398 1 P P4 1 5.66438477 5.66438477 5.66438477 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb4PSi
F-43m
216
cubic
-43m
6,640.398876
false
[CIF] data_NbPd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83853769 _cell_length_b 4.83853769 _cell_length_c 4.83853769 _cell_angle_alpha 132.35660483 _cell_angle_beta 130.87530564 _cell_angle_gamma 70.84299572 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPd2Rh _chemical_formula_sum 'Nb1 Pd2 Rh1' _cell_volume 61.99257484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 -0.00000000 0.00000000 5.86842691 1 Pd Pd1 1 0.00000000 2.01129875 3.94020381 1 Pd Pd2 1 -0.00000000 0.00000000 1.98512551 1 Rh Rh3 1 -0.00000000 2.01129875 0.03516763 1 [/CIF]
NbPd2Rh
Imm2
44
orthorhombic
mm2
10,946.188525
false
[CIF] data_HoSi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62114523 _cell_length_b 4.62114523 _cell_length_c 4.62114523 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoSi2Pd _chemical_formula_sum 'Ho1 Si2 Pd1' _cell_volume 69.78046424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 3.26764313 3.26764313 3.26764313 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.63382156 1.63382156 1.63382156 1 Si Si3 1 4.90146469 4.90146469 4.90146469 1 [/CIF]
HoPdSi2
Fm-3m
225
cubic
m-3m
7,793.89981
false
[CIF] data_AcBO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69430700 _cell_length_b 3.69430700 _cell_length_c 3.69430700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcBO3 _chemical_formula_sum 'Ac1 B1 O3' _cell_volume 50.41954806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84715350 1.84715350 1.84715350 1 B B1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 1.84715350 0.00000000 1 O O3 1 1.84715350 0.00000000 0.00000000 1 O O4 1 0.00000000 0.00000000 1.84715350 1 [/CIF]
AcBO3
Pm-3m
221
cubic
m-3m
9,412.963036
false
[CIF] data_TiCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27965457 _cell_length_b 4.27965457 _cell_length_c 4.27965457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCuSn _chemical_formula_sum 'Ti1 Cu1 Sn1' _cell_volume 55.42569569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.53925916 4.53925916 4.53925916 1 Sn Sn1 1 3.02617277 3.02617277 3.02617277 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuSnTi
F-43m
216
cubic
-43m
6,894.42373
false
[CIF] data_Nb2VSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29658263 _cell_length_b 3.29658263 _cell_length_c 6.09059835 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2VSe _chemical_formula_sum 'Nb2 V1 Se1' _cell_volume 66.18931589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64829132 1.64829132 1.42565340 1 Nb Nb1 1 1.64829132 1.64829132 4.66494495 1 Se Se2 1 0.00000000 0.00000000 3.04529917 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2SeV
P4/mmm
123
tetragonal
4/mmm
7,920.551157
false
[CIF] data_KNbMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46946685 _cell_length_b 5.46946685 _cell_length_c 3.12133695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.90180819 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbMo2 _chemical_formula_sum 'K1 Nb1 Mo2' _cell_volume 89.34161746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.62856488 2.19693954 1.56066847 1 Mo Mo2 1 1.62856488 -2.19693954 1.56066847 1 Nb Nb3 1 3.25712976 -0.00000000 0.00000000 1 [/CIF]
KMo2Nb
Cmmm
65
orthorhombic
mmm
6,020.593773
false
[CIF] data_BaDyFe2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.02069400 _cell_length_b 3.87682100 _cell_length_c 7.55404800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaDyFe2O5 _chemical_formula_sum 'Ba2 Dy2 Fe4 O10' _cell_volume 234.89157348 _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 Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 4.01034700 0.00000000 0.00000000 1 Dy Dy2 1 0.00000000 0.00000000 3.77702400 1 Dy Dy3 1 4.01034700 0.00000000 3.77702400 1 Fe Fe4 1 2.00517350 1.93841050 1.93072991 1 Fe Fe5 1 6.01552050 1.93841050 2.03264988 1 Fe Fe6 1 2.00517350 1.93841050 5.52139812 1 Fe Fe7 1 6.01552050 1.93841050 5.62331809 1 O O8 1 2.00517350 1.93841050 0.04655998 1 O O9 1 2.00517350 0.00000000 2.37539985 1 O O10 1 0.09566859 1.93841050 2.37611983 1 O O11 1 3.91467841 1.93841050 2.37611983 1 O O12 1 6.01552050 0.00000000 2.43078984 1 O O13 1 2.00517350 0.00000000 5.12325816 1 O O14 1 4.10601559 1.93841050 5.17792817 1 O O15 1 7.92502541 1.93841050 5.17792817 1 O O16 1 6.01552050 0.00000000 5.17864815 1 O O17 1 6.01552050 1.93841050 7.50748802 1 [/CIF]
Ba2Dy2Fe4O10
Pmma
51
orthorhombic
mmm
6,949.403818
false
[CIF] data_LaZr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40627974 _cell_length_b 3.40627974 _cell_length_c 10.12599518 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.43780326 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZr2Br _chemical_formula_sum 'La1 Zr2 Br1' _cell_volume 101.29688359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 0.00000000 5.06299759 1 Zr Zr2 1 1.69185712 0.00000000 7.80220505 1 Zr Zr3 1 1.69185712 0.00000000 2.32379013 1 [/CIF]
BrLaZr2
Cmmm
65
orthorhombic
mmm
6,577.731526
false
[CIF] data_Ag2BiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82796812 _cell_length_b 4.82796812 _cell_length_c 4.82796812 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2BiAu _chemical_formula_sum 'Ag2 Bi1 Au1' _cell_volume 79.57528165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12083350 5.12083350 5.12083350 1 Ag Ag1 1 1.70694450 1.70694450 1.70694450 1 Au Au2 1 0.00000000 0.00000000 0.00000000 1 Bi Bi3 1 3.41388900 3.41388900 3.41388900 1 [/CIF]
Ag2AuBi
Fm-3m
225
cubic
m-3m
12,972.992365
false
[CIF] data_BeTeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46276784 _cell_length_b 4.46276784 _cell_length_c 4.46276784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTeW2 _chemical_formula_sum 'Be1 Te1 W2' _cell_volume 62.84892959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 3.15565340 3.15565340 3.15565340 1 W W2 1 4.73348010 4.73348010 4.73348010 1 W W3 1 1.57782670 1.57782670 1.57782670 1 [/CIF]
BeTeW2
Fm-3m
225
cubic
m-3m
13,323.963902
false
[CIF] data_Ta2CrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40898395 _cell_length_b 4.40898395 _cell_length_c 4.40898395 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CrSi _chemical_formula_sum 'Ta2 Cr1 Si1' _cell_volume 60.60389766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11762245 3.11762245 3.11762245 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.67643368 4.67643368 4.67643368 1 Ta Ta3 1 1.55881122 1.55881122 1.55881122 1 [/CIF]
CrSiTa2
Fm-3m
225
cubic
m-3m
12,110.123296
false
[CIF] data_TaAsBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86144607 _cell_length_b 4.86144607 _cell_length_c 4.86144607 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAsBr2 _chemical_formula_sum 'Ta1 As1 Br2' _cell_volume 81.24215188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 3.43756148 3.43756148 3.43756148 1 Br Br2 1 5.15634222 5.15634222 5.15634222 1 Ta Ta3 1 1.71878074 1.71878074 1.71878074 1 [/CIF]
AsBr2Ta
F-43m
216
cubic
-43m
8,496.189215
false
[CIF] data_Li2GaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15981615 _cell_length_b 4.15981615 _cell_length_c 4.15981615 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GaIr _chemical_formula_sum 'Li2 Ga1 Ir1' _cell_volume 50.89878472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.94143421 2.94143421 2.94143421 1 Li Li2 1 1.47071710 1.47071710 1.47071711 1 Li Li3 1 4.41215132 4.41215132 4.41215132 1 [/CIF]
GaIrLi2
Fm-3m
225
cubic
m-3m
8,998.509669
false
[CIF] data_NaCuB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95444891 _cell_length_b 3.95444891 _cell_length_c 3.95444891 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCuB _chemical_formula_sum 'Na1 Cu1 B1' _cell_volume 43.72631802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.39810882 1.39810882 1.39810882 1 Na Na2 1 4.19432646 4.19432646 4.19432646 1 [/CIF]
BCuNa
F-43m
216
cubic
-43m
3,696.815115
false
[CIF] data_MgGe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.35388105 _cell_length_b 8.35388105 _cell_length_c 8.35388105 _cell_angle_alpha 21.86971942 _cell_angle_beta 21.86971942 _cell_angle_gamma 21.86971942 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGe2W _chemical_formula_sum 'Mg1 Ge2 W1' _cell_volume 70.90566402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 -0.00000000 -0.00000000 5.95796265 1 Ge Ge1 1 0.00000000 0.00000000 18.49508937 1 Mg Mg2 1 0.00000000 -0.00000000 -0.00000000 1 W W3 1 -0.00000000 0.00000000 12.22652601 1 [/CIF]
Ge2MgW
R-3m
166
trigonal
-3m
8,276.856686
false
[CIF] data_LaTl2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38913451 _cell_length_b 5.38913451 _cell_length_c 5.38913451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTl2Ga _chemical_formula_sum 'La1 Tl2 Ga1' _cell_volume 110.67309971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.71604034 5.71604034 5.71604034 1 Tl Tl2 1 3.81069356 3.81069356 3.81069356 1 Tl Tl3 1 1.90534678 1.90534678 1.90534678 1 [/CIF]
GaLaTl2
F-43m
216
cubic
-43m
9,263.394952
false
[CIF] data_Cr2SiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93283603 _cell_length_b 2.93283603 _cell_length_c 7.41788544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2SiSn _chemical_formula_sum 'Cr2 Si1 Sn1' _cell_volume 63.80514322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.47555389 1 Cr Cr1 1 1.46641801 1.46641801 1.68070391 1 Si Si2 1 0.00000000 0.00000000 3.07229291 1 Sn Sn3 1 1.46641801 1.46641801 5.89827738 1 [/CIF]
Cr2SiSn
P4mm
99
tetragonal
4mm
6,526.79004
false
[CIF] data_AgSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41737072 _cell_length_b 9.41737072 _cell_length_c 9.41737072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSn2 _chemical_formula_sum 'Ag8 Sn16' _cell_volume 590.57356551 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 8.84883862 8.84883862 4.46933478 1 Ag Ag1 1 4.46933478 4.46933478 4.46933478 1 Ag Ag2 1 8.84883862 4.46933478 8.84883862 1 Ag Ag3 1 4.46933478 8.84883862 8.84883862 1 Ag Ag4 1 7.79887813 7.79887813 12.17838197 1 Ag Ag5 1 12.17838197 12.17838197 12.17838197 1 Ag Ag6 1 7.79887813 12.17838197 7.79887813 1 Ag Ag7 1 12.17838197 7.79887813 7.79887813 1 Sn Sn8 1 1.66477168 4.99431502 4.99431502 1 Sn Sn9 1 4.99431503 1.66477168 4.99431502 1 Sn Sn10 1 1.66477167 1.66477168 1.66477168 1 Sn Sn11 1 4.99431503 4.99431503 1.66477168 1 Sn Sn12 1 9.98863005 9.98863005 7.49242692 1 Sn Sn13 1 12.48483318 9.98863005 9.98863005 1 Sn Sn14 1 9.98863005 12.48483318 9.98863005 1 Sn Sn15 1 9.98863005 7.49242692 9.98863005 1 Sn Sn16 1 7.49242692 9.98863005 9.98863005 1 Sn Sn17 1 9.98863005 9.98863005 12.48483318 1 Sn Sn18 1 6.65908670 6.65908670 9.15528983 1 Sn Sn19 1 4.16288357 6.65908670 6.65908670 1 Sn Sn20 1 6.65908670 4.16288357 6.65908670 1 Sn Sn21 1 6.65908670 9.15528983 6.65908670 1 Sn Sn22 1 9.15528983 6.65908670 6.65908670 1 Sn Sn23 1 6.65908670 6.65908670 4.16288357 1 [/CIF]
Ag8Sn16
Fd-3m
227
cubic
m-3m
7,766.883976
false
[CIF] data_ReAgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54706868 _cell_length_b 3.54706868 _cell_length_c 6.84119862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAgPb2 _chemical_formula_sum 'Re1 Ag1 Pb2' _cell_volume 86.07388282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.77353434 1.77353434 1.82618935 1 Pb Pb2 1 1.77353434 1.77353434 5.01500927 1 Re Re3 1 0.00000000 0.00000000 3.42059931 1 [/CIF]
AgPb2Re
P4/mmm
123
tetragonal
4/mmm
13,667.917709
false
[CIF] data_Al3BiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46109609 _cell_length_b 4.46109609 _cell_length_c 4.46109609 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3BiB _chemical_formula_sum 'Al3 Bi1 B1' _cell_volume 88.78196103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 2.23054804 2.23054804 2.23054804 1 Al Al2 1 0.00000000 2.23054804 0.00000000 1 Al Al3 1 0.00000000 0.00000000 2.23054804 1 Al Al4 1 2.23054804 0.00000000 0.00000000 1 [/CIF]
Al3BBi
Pm-3m
221
cubic
m-3m
5,624.835239
false
[CIF] data_NaCaB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72229861 _cell_length_b 4.72229861 _cell_length_c 4.72229861 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaB4 _chemical_formula_sum 'Na1 Ca1 B4' _cell_volume 74.46382477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.72963312 3.94870562 2.72963312 1 B B1 1 3.94870562 2.72963312 2.72963312 1 B B2 1 3.94870562 3.94870562 3.94870562 1 B B3 1 2.72963312 2.72963312 3.94870562 1 Ca Ca4 1 1.66958469 1.66958469 1.66958469 1 Na Na5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B4CaNa
F-43m
216
cubic
-43m
2,370.746422
false
[CIF] data_KVB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93132411 _cell_length_b 2.93132411 _cell_length_c 6.54897811 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVB2 _chemical_formula_sum 'K1 V1 B2' _cell_volume 56.27314904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46566205 1.46566205 4.10502535 1 B B1 1 1.46566205 1.46566205 2.44395276 1 K K2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 3.27448906 1 [/CIF]
B2KV
P4/mmm
123
tetragonal
4/mmm
3,294.977877
false
[CIF] data_TaNbAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54679765 _cell_length_b 4.54679765 _cell_length_c 4.54679765 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbAlPt _chemical_formula_sum 'Ta1 Nb1 Al1 Pt1' _cell_volume 66.46635799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.82260717 4.82260717 4.82260718 1 Pt Pt2 1 1.60753573 1.60753573 1.60753573 1 Ta Ta3 1 3.21507145 3.21507145 3.21507145 1 [/CIF]
AlNbPtTa
F-43m
216
cubic
-43m
12,389.639276
false
[CIF] data_LiMgTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62047028 _cell_length_b 4.62047028 _cell_length_c 4.62047028 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgTa _chemical_formula_sum 'Li1 Mg1 Ta1' _cell_volume 69.74989314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 3.26716587 3.26716587 3.26716587 1 Ta Ta2 1 1.63358293 1.63358293 1.63358294 1 [/CIF]
LiMgTa
F-43m
216
cubic
-43m
5,051.709925
false
[CIF] data_Ni4SnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76711896 _cell_length_b 4.76711896 _cell_length_c 4.76711896 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4SnRh _chemical_formula_sum 'Ni4 Sn1 Rh1' _cell_volume 76.60426846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.52476633 2.52476633 4.21695795 1 Ni Ni1 1 2.52476633 4.21695795 2.52476633 1 Ni Ni2 1 4.21695795 2.52476633 2.52476633 1 Ni Ni3 1 4.21695795 4.21695795 4.21695795 1 Rh Rh4 1 0.00000000 0.00000000 0.00000000 1 Sn Sn5 1 1.68543107 1.68543107 1.68543107 1 [/CIF]
Ni4RhSn
F-43m
216
cubic
-43m
9,893.077049
false
[CIF] data_Zn3P2(HO2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34134000 _cell_length_b 5.82829130 _cell_length_c 7.23088810 _cell_angle_alpha 93.59602717 _cell_angle_beta 94.63193769 _cell_angle_gamma 91.71551459 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3P2(HO2)4 _chemical_formula_sum 'Zn3 P2 H4 O8' _cell_volume 223.78834046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.00000000 0.00000000 0.00000000 1 Zn Zn1 1 0.58766188 4.14319706 2.89252651 1 Zn Zn2 1 3.99527012 1.21125894 4.29932449 1 P P3 1 1.31789091 1.30501278 2.55618522 1 P P4 1 3.26504109 4.04944322 4.63566578 1 H H5 1 0.77624129 0.80976463 6.42592606 1 H H6 1 3.80669071 4.54469137 0.76592494 1 H H7 1 4.11362845 1.41455356 0.46505385 1 H H8 1 0.46930355 3.93990244 6.72679715 1 O O9 1 0.87311534 -0.00414435 1.68891991 1 O O10 1 3.70981666 5.35860035 5.50293109 1 O O11 1 0.55533258 1.18000976 3.88268617 1 O O12 1 4.02759942 4.17444624 3.30916483 1 O O13 1 2.82982277 1.14495371 2.74999122 1 O O14 1 1.75310923 4.20950229 4.44185978 1 O O15 1 0.93614121 2.56173392 1.74806569 1 O O16 1 3.64679079 2.79272208 5.44378531 1 [/CIF]
H4O8P2Zn3
P-1
2
triclinic
-1
2,894.701037
false
[CIF] data_CaMgZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36174990 _cell_length_b 3.64126747 _cell_length_c 6.88666345 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.86424487 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgZn2 _chemical_formula_sum 'Ca1 Mg1 Zn2' _cell_volume 84.25523866 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.11201664 0.00000000 3.44150921 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.63097298 1.82063373 1.47344080 1 Zn Zn3 1 1.50674364 1.82063373 5.40957761 1 [/CIF]
CaMgZn2
P2/m
10
monoclinic
2/m
3,845.96353
false
[CIF] data_SrTiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22760974 _cell_length_b 4.43991532 _cell_length_c 5.05000599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiRu2 _chemical_formula_sum 'Sr1 Ti1 Ru2' _cell_volume 72.36817119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.21995766 2.52500299 1 Ru Ru1 1 1.61380487 2.21995766 0.00000000 1 Sr Sr2 1 1.61380487 0.00000000 2.52500299 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru2SrTi
Pmmm
47
orthorhombic
mmm
7,747.091217
false
[CIF] data_Ta2SbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83578256 _cell_length_b 4.83578256 _cell_length_c 4.83578256 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2SbTe _chemical_formula_sum 'Ta2 Sb1 Te1' _cell_volume 79.96230340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 5.12912196 5.12912196 5.12912196 1 Ta Ta2 1 1.70970732 1.70970732 1.70970732 1 Te Te3 1 3.41941464 3.41941464 3.41941464 1 [/CIF]
SbTa2Te
Fm-3m
225
cubic
m-3m
12,693.657211
false
[CIF] data_CaZnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59627689 _cell_length_b 4.59627689 _cell_length_c 4.59627689 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZnRh _chemical_formula_sum 'Ca1 Zn1 Rh1' _cell_volume 68.65996131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 1.62502928 1.62502928 1.62502928 1 Zn Zn2 1 4.87508784 4.87508784 4.87508784 1 [/CIF]
CaRhZn
F-43m
216
cubic
-43m
5,039.264882
false
[CIF] data_Ta2CoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22122034 _cell_length_b 5.22122034 _cell_length_c 5.22122034 _cell_angle_alpha 144.18720711 _cell_angle_beta 131.19520072 _cell_angle_gamma 61.99428545 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CoTc _chemical_formula_sum 'Ta2 Co1 Tc1' _cell_volume 61.99365737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.77148014 1 Ta Ta1 1 0.00000000 2.15710839 4.44467094 1 Ta Ta2 1 -0.00000000 0.00000000 2.27813471 1 Tc Tc3 1 1.60533129 -0.00000000 4.40808806 1 [/CIF]
CoTa2Tc
Imm2
44
orthorhombic
mm2
13,921.432704
false
[CIF] data_CdMoRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68383712 _cell_length_b 4.68383712 _cell_length_c 4.68383712 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdMoRu3 _chemical_formula_sum 'Cd1 Mo1 Ru3' _cell_volume 102.75556519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34191856 0.00000000 2.34191856 1 Ru Ru1 1 2.34191856 2.34191856 0.00000000 1 Ru Ru2 1 0.00000000 2.34191856 2.34191856 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 Cd Cd4 1 2.34191856 2.34191856 2.34191856 1 [/CIF]
CdMoRu3
Pm-3m
221
cubic
m-3m
8,267.194431
false
[CIF] data_InCoTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73678205 _cell_length_b 5.05346802 _cell_length_c 5.29607503 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCoTe2 _chemical_formula_sum 'In1 Co1 Te2' _cell_volume 100.00953752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.86839102 0.00000000 2.64803752 1 Te Te2 1 1.86839102 2.52673401 0.00000000 1 Te Te3 1 0.00000000 2.52673401 2.64803752 1 [/CIF]
CoInTe2
Pmmm
47
orthorhombic
mmm
7,122.222886
false
[CIF] data_Na4NbPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16168295 _cell_length_b 6.16168295 _cell_length_c 6.16168295 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4NbPb _chemical_formula_sum 'Na4 Nb1 Pb1' _cell_volume 165.41810701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26491494 3.26491494 5.44902066 1 Na Na1 1 3.26491494 5.44902066 3.26491494 1 Na Na2 1 5.44902066 3.26491494 3.26491494 1 Na Na3 1 5.44902066 5.44902066 5.44902066 1 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1 Pb Pb5 1 2.17848390 2.17848390 2.17848390 1 [/CIF]
Na4NbPb
F-43m
216
cubic
-43m
3,935.723966
false
[CIF] data_NaB2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91654062 _cell_length_b 4.91654062 _cell_length_c 6.09236669 _cell_angle_alpha 108.83801260 _cell_angle_beta 108.83801260 _cell_angle_gamma 37.45254420 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaB2Te _chemical_formula_sum 'Na1 B2 Te1' _cell_volume 84.18797158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.21823563 -0.00000000 0.74059164 1 B B1 1 5.92331803 -0.00000000 0.88249166 1 Na Na2 1 3.30373736 -0.00000000 2.47304493 1 Te Te3 1 0.40781640 -0.00000000 4.49487927 1 [/CIF]
B2NaTe
Cm
8
monoclinic
m
3,396.736674
false
[CIF] data_SrScCoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76668056 _cell_length_b 4.76668056 _cell_length_c 4.76668056 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrScCoIr _chemical_formula_sum 'Sr1 Sc1 Co1 Ir1' _cell_volume 76.58313644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68527607 1.68527607 1.68527608 1 Ir Ir1 1 5.05582822 5.05582822 5.05582823 1 Sc Sc2 1 -0.00000000 -0.00000000 -0.00000000 1 Sr Sr3 1 3.37055215 3.37055215 3.37055215 1 [/CIF]
CoIrScSr
F-43m
216
cubic
-43m
8,320.267636
false