Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_Li2LaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88354981 _cell_length_b 4.88354981 _cell_length_c 4.88354981 _cell_angle_alpha 120.81971624 _cell_angle_beta 120.81971624 _cell_angle_gamma 88.58597835 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2LaRh _chemical_formula_sum 'Li2 La1 Rh1' _cell_volume 81.30811000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41145908 1.74776922 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 2.41145908 -0.00000000 1.74776922 1 Rh Rh3 1 0.00000000 0.00000000 3.49553843 1 [/CIF]
LaLi2Rh
I-4m2
119
tetragonal
-42m
5,221.965752
false
[CIF] data_AlFeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80017181 _cell_length_b 2.80017181 _cell_length_c 6.92234075 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFeRe2 _chemical_formula_sum 'Al1 Fe1 Re2' _cell_volume 54.27781192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 0.00000000 3.46117038 1 Re Re2 1 1.40008591 1.40008591 5.10815971 1 Re Re3 1 1.40008591 1.40008591 1.81418104 1 [/CIF]
AlFeRe2
P4/mmm
123
tetragonal
4/mmm
13,927.324487
false
[CIF] data_VZnFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60872094 _cell_length_b 8.60872094 _cell_length_c 8.60872094 _cell_angle_alpha 17.03729422 _cell_angle_beta 17.03729422 _cell_angle_gamma 17.03729422 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnFe2 _chemical_formula_sum 'V1 Zn1 Fe2' _cell_volume 47.78066298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 25.30506401 1 Fe Fe1 1 0.00000000 0.00000000 6.47919101 1 V V2 1 -0.00000000 -0.00000000 12.84785516 1 Zn Zn3 1 -0.00000000 0.00000000 18.98178506 1 [/CIF]
Fe2VZn
R3m
160
trigonal
3m
7,924.168064
false
[CIF] data_CaTaVRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61440679 _cell_length_b 4.61440679 _cell_length_c 4.61440679 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaVRh _chemical_formula_sum 'Ca1 Ta1 V1 Rh1' _cell_volume 69.47565254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63143916 1.63143916 1.63143916 1 Ta Ta2 1 4.89431750 4.89431750 4.89431750 1 V V3 1 3.26287833 3.26287833 3.26287833 1 [/CIF]
CaRhTaV
F-43m
216
cubic
-43m
8,959.844773
false
[CIF] data_Na2TiV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26669010 _cell_length_b 6.26669010 _cell_length_c 2.83499308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 129.89728780 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TiV _chemical_formula_sum 'Na2 Ti1 V1' _cell_volume 85.41506887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32675369 -2.83858694 1.41749654 1 Na Na1 1 1.32675369 2.83858694 1.41749654 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 2.65350738 -0.00000000 0.00000000 1 [/CIF]
Na2TiV
Cmmm
65
orthorhombic
mmm
2,814.798344
false
[CIF] data_ScTc2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45627708 _cell_length_b 4.45627708 _cell_length_c 3.44135109 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTc2Sn _chemical_formula_sum 'Sc1 Tc2 Sn1' _cell_volume 68.33974512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 2.22813854 2.22813854 0.00000000 1 Tc Tc2 1 2.22813854 0.00000000 1.72067554 1 Tc Tc3 1 0.00000000 2.22813854 1.72067554 1 [/CIF]
ScSnTc2
P4/mmm
123
tetragonal
4/mmm
8,783.508156
false
[CIF] data_MnSn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17030831 _cell_length_b 3.17030831 _cell_length_c 7.23893689 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.05060554 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSn2Ir _chemical_formula_sum 'Mn1 Sn2 Ir1' _cell_volume 72.65440024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 3.61946845 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 2.18128045 0.00000000 1.85524223 1 Sn Sn3 1 2.18128045 0.00000000 5.38369466 1 [/CIF]
IrMnSn2
Cmmm
65
orthorhombic
mmm
11,075.11438
false
[CIF] data_PrPa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29001017 _cell_length_b 3.29001017 _cell_length_c 5.33933900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrPa _chemical_formula_sum 'Pr1 Pa1' _cell_volume 57.79389650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 1.64500508 1.64500508 2.66966950 1 Pr Pr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PaPr
P4/mmm
123
tetragonal
4/mmm
10,686.712603
false
[CIF] data_LaScRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63039389 _cell_length_b 4.63039389 _cell_length_c 4.63039389 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScRh _chemical_formula_sum 'La1 Sc1 Rh1' _cell_volume 70.20027471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 4.91127438 4.91127438 4.91127438 1 Rh Rh1 1 1.63709146 1.63709146 1.63709146 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaRhSc
F-43m
216
cubic
-43m
6,783.272752
false
[CIF] data_AcGdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12035536 _cell_length_b 5.12035536 _cell_length_c 5.12035536 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcGdPt2 _chemical_formula_sum 'Ac1 Gd1 Pt2' _cell_volume 94.92602848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62063800 3.62063800 3.62063800 1 Gd Gd1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.43095700 5.43095700 5.43095700 1 Pt Pt3 1 1.81031900 1.81031900 1.81031900 1 [/CIF]
AcGdPt2
Fm-3m
225
cubic
m-3m
13,546.878168
false
[CIF] data_Nb2CoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57129182 _cell_length_b 4.57129182 _cell_length_c 3.02467943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.08626731 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CoOs _chemical_formula_sum 'Nb2 Co1 Os1' _cell_volume 62.22901084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.46786633 1.75201189 1.51233971 1 Nb Nb2 1 1.46786633 -1.75201189 1.51233971 1 Os Os3 1 2.93573266 -0.00000000 0.00000000 1 [/CIF]
CoNb2Os
Cmmm
65
orthorhombic
mmm
11,607.03917
false
[CIF] data_CdSn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92795476 _cell_length_b 6.92795476 _cell_length_c 6.92795476 _cell_angle_alpha 153.23215398 _cell_angle_beta 140.25759111 _cell_angle_gamma 48.56535973 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSn2Pt _chemical_formula_sum 'Cd1 Sn2 Pt1' _cell_volume 95.39134328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 0.00000000 6.31502220 1 Sn Sn2 1 1.60364789 -0.00000000 3.98786604 1 Sn Sn3 1 -0.00000000 2.35485990 2.32715616 1 [/CIF]
CdPtSn2
Immm
71
orthorhombic
mmm
9,485.689313
false
[CIF] data_LiLaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70995418 _cell_length_b 4.70995418 _cell_length_c 4.70995418 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaMo _chemical_formula_sum 'Li1 La1 Mo1' _cell_volume 73.88138850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33044054 3.33044054 3.33044054 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.66522027 1.66522027 1.66522027 1 [/CIF]
LaLiMo
F-43m
216
cubic
-43m
5,434.779965
false
[CIF] data_VCuBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08400728 _cell_length_b 5.08400728 _cell_length_c 5.08400728 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCuBiPb _chemical_formula_sum 'V1 Cu1 Bi1 Pb1' _cell_volume 92.91877856 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79746801 1.79746801 1.79746801 1 Cu Cu1 1 5.39240403 5.39240403 5.39240403 1 Pb Pb2 1 3.59493602 3.59493602 3.59493602 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCuPbV
F-43m
216
cubic
-43m
9,483.49508
false
[CIF] data_K2LaV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72466887 _cell_length_b 7.72466887 _cell_length_c 3.62764850 _cell_angle_alpha 102.11612609 _cell_angle_beta 102.11612609 _cell_angle_gamma 127.90017122 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LaV _chemical_formula_sum 'K2 La1 V1' _cell_volume 150.03516882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.82924180 3.46996687 1.59323948 1 K K1 1 0.82924180 -3.46996687 1.59323948 1 La La2 1 3.39231910 -0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2LaV
C2/m
12
monoclinic
2/m
2,966.616581
false
[CIF] data_AgPBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85294794 _cell_length_b 4.99729319 _cell_length_c 5.05784367 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.99968249 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPBr2 _chemical_formula_sum 'Ag1 P1 Br2' _cell_volume 113.72938670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.03732998 2.49864660 3.20258005 1 Br Br1 1 -1.25935840 0.00000000 4.61385134 1 Br Br2 1 2.35064341 2.49864660 1.85403779 1 P P3 1 1.48877785 0.00000000 2.05343461 1 [/CIF]
AgBr2P
Pm
6
monoclinic
m
4,360.525837
false
[CIF] data_PmZnCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72279872 _cell_length_b 4.72279872 _cell_length_c 4.72279872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmZnCr2 _chemical_formula_sum 'Pm1 Zn1 Cr2' _cell_volume 74.48748523 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.00928450 5.00928450 5.00928450 1 Cr Cr1 1 1.66976150 1.66976150 1.66976150 1 Pm Pm2 1 3.33952300 3.33952300 3.33952300 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2PmZn
Fm-3m
225
cubic
m-3m
7,008.255386
false
[CIF] data_Ca2ZrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03928120 _cell_length_b 5.03928120 _cell_length_c 5.03928120 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZrRu _chemical_formula_sum 'Ca2 Zr1 Ru1' _cell_volume 90.48795693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.78165495 1.78165495 1.78165495 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 5.34496486 5.34496486 5.34496486 1 Zr Zr3 1 3.56330991 3.56330991 3.56330991 1 [/CIF]
Ca2RuZr
F-43m
216
cubic
-43m
4,999.713598
false
[CIF] data_GaTeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24910228 _cell_length_b 5.24910228 _cell_length_c 5.24910228 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTeBr _chemical_formula_sum 'Ga1 Te1 Br1' _cell_volume 102.26808145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85583791 1.85583791 1.85583791 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 3.71167582 3.71167582 3.71167582 1 [/CIF]
BrGaTe
F-43m
216
cubic
-43m
4,501.367947
false
[CIF] data_K2SbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40972730 _cell_length_b 5.77728524 _cell_length_c 7.35546560 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.72377444 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SbCl _chemical_formula_sum 'K2 Sb1 Cl1' _cell_volume 144.88351526 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.15519925 0.00000000 6.82996789 1 K K1 1 2.94179704 2.88864262 6.47858201 1 K K2 1 2.95948771 0.00000000 1.98646751 1 Sb Sb3 1 1.23555033 2.88864262 3.09217953 1 [/CIF]
ClK2Sb
Pm
6
monoclinic
m
2,698.076705
false
[CIF] data_CaHoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96418235 _cell_length_b 4.96418235 _cell_length_c 4.96418235 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHoPd2 _chemical_formula_sum 'Ca1 Ho1 Pd2' _cell_volume 86.50240447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ho Ho1 1 3.51020700 3.51020700 3.51020700 1 Pd Pd2 1 1.75510350 1.75510350 1.75510350 1 Pd Pd3 1 5.26531050 5.26531050 5.26531050 1 [/CIF]
CaHoPd2
Fm-3m
225
cubic
m-3m
8,021.204307
false
[CIF] data_V2AsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58281272 _cell_length_b 4.58281272 _cell_length_c 2.87764773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2AsAu _chemical_formula_sum 'V2 As1 Au1' _cell_volume 60.43685381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 2.29140636 2.29140636 0.00000000 1 V V2 1 2.29140636 0.00000000 1.43882387 1 V V3 1 0.00000000 2.29140636 1.43882387 1 [/CIF]
AsAuV2
P4/mmm
123
tetragonal
4/mmm
10,269.588653
false
[CIF] data_HfBiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58847804 _cell_length_b 4.58847804 _cell_length_c 3.59935638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBiMo2 _chemical_formula_sum 'Hf1 Bi1 Mo2' _cell_volume 75.78131975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29423902 2.29423902 0.00000000 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 0.00000000 2.29423902 1.79967819 1 Mo Mo3 1 2.29423902 0.00000000 1.79967819 1 [/CIF]
BiHfMo2
P4/mmm
123
tetragonal
4/mmm
12,695.763582
false
[CIF] data_CaAsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08090032 _cell_length_b 5.08090032 _cell_length_c 4.77213478 _cell_angle_alpha 108.87978414 _cell_angle_beta 108.87978414 _cell_angle_gamma 107.47000718 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAsSe2 _chemical_formula_sum 'Ca1 As1 Se2' _cell_volume 98.37096974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00545774 0.00000000 0.00000000 1 Ca Ca1 1 -0.00000000 0.00000000 0.00000000 1 Se Se2 1 0.19746222 2.04833908 1.99739745 1 Se Se3 1 0.19746222 -2.04833907 1.99739745 1 [/CIF]
AsCaSe2
C2/m
12
monoclinic
2/m
4,606.985771
false
[CIF] data_InCo4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90780840 _cell_length_b 4.90780840 _cell_length_c 4.90780840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCo4As _chemical_formula_sum 'In1 Co4 As1' _cell_volume 83.58874424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 4.34340328 4.34340328 2.59728592 1 Co Co2 1 4.34340328 2.59728592 4.34340328 1 Co Co3 1 2.59728592 4.34340328 4.34340328 1 Co Co4 1 2.59728592 2.59728592 2.59728592 1 In In5 1 5.20551690 5.20551690 5.20551690 1 [/CIF]
AsCo4In
F-43m
216
cubic
-43m
8,452.256523
false
[CIF] data_BaCu2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30738796 _cell_length_b 5.30738796 _cell_length_c 5.30738796 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCu2Te _chemical_formula_sum 'Ba1 Cu2 Te1' _cell_volume 105.71278341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87644501 1.87644501 1.87644501 1 Cu Cu1 1 5.62933503 5.62933503 5.62933503 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.75289002 3.75289002 3.75289002 1 [/CIF]
BaCu2Te
F-43m
216
cubic
-43m
6,157.844334
false
[CIF] data_MgCdSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81353351 _cell_length_b 7.55828655 _cell_length_c 3.27942166 _cell_angle_alpha 82.07972817 _cell_angle_beta 73.35644097 _cell_angle_gamma 24.56383087 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCdSn _chemical_formula_sum 'Mg1 Cd1 Sn1' _cell_volume 73.38632285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84810661 2.70907888 0.07624829 1 Mg Mg1 1 1.84810661 2.70907888 9.72782400 1 Sn Sn2 1 1.84810661 2.70907888 4.85364888 1 [/CIF]
CdMgSn
Fmm2
42
orthorhombic
mm2
5,779.617171
false
[CIF] data_La2RuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71341438 _cell_length_b 7.71341438 _cell_length_c 7.71341438 _cell_angle_alpha 31.48869058 _cell_angle_beta 31.48869058 _cell_angle_gamma 31.48869058 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2RuAu _chemical_formula_sum 'La2 Ru1 Au1' _cell_volume 111.15725075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.98752776 1 La La1 1 -0.00000000 -0.00000000 16.21602452 1 La La2 1 0.00000000 0.00000000 5.75903100 1 Ru Ru3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
AuLa2Ru
R-3m
166
trigonal
-3m
8,605.126834
false
[CIF] data_AgSnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20253675 _cell_length_b 3.20253675 _cell_length_c 7.52557084 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSnP2 _chemical_formula_sum 'Ag1 Sn1 P2' _cell_volume 77.18407298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 5.87413436 1 P P1 1 1.60126838 1.60126838 0.38917331 1 P P2 1 0.00000000 0.00000000 1.22861198 1 Sn Sn3 1 1.60126838 1.60126838 3.79643661 1 [/CIF]
AgP2Sn
P4mm
99
tetragonal
4mm
6,207.345867
false
[CIF] data_NpNb2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52277821 _cell_length_b 4.52277821 _cell_length_c 4.52277821 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpNb2Co _chemical_formula_sum 'Np1 Nb2 Co1' _cell_volume 65.41854437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.79713072 4.79713072 4.79713072 1 Nb Nb2 1 1.59904357 1.59904357 1.59904357 1 Np Np3 1 3.19808714 3.19808714 3.19808714 1 [/CIF]
CoNb2Np
Fm-3m
225
cubic
m-3m
12,228.305998
false
[CIF] data_NbReO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02665286 _cell_length_b 4.02665286 _cell_length_c 4.02665286 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbReO3 _chemical_formula_sum 'Nb1 Re1 O3' _cell_volume 65.28788071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 O O1 1 0.00000000 0.00000000 2.01332643 1 O O2 1 0.00000000 2.01332643 0.00000000 1 O O3 1 2.01332643 0.00000000 0.00000000 1 Re Re4 1 2.01332643 2.01332643 2.01332643 1 [/CIF]
NbO3Re
Pm-3m
221
cubic
m-3m
8,319.791542
false
[CIF] data_SrLi4V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79379613 _cell_length_b 5.79379613 _cell_length_c 5.79379613 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi4V _chemical_formula_sum 'Sr1 Li4 V1' _cell_volume 137.52277572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15480211 5.15480211 3.03886295 1 Li Li1 1 5.15480211 3.03886295 5.15480211 1 Li Li2 1 3.03886295 5.15480211 5.15480211 1 Li Li3 1 3.03886295 3.03886295 3.03886295 1 Sr Sr4 1 6.14524880 6.14524880 6.14524880 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li4SrV
F-43m
216
cubic
-43m
2,008.321815
false
[CIF] data_BaReSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00600200 _cell_length_b 5.00600200 _cell_length_c 5.00600200 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaReSnRu _chemical_formula_sum 'Ba1 Re1 Sn1 Ru1' _cell_volume 88.70703395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.30966694 5.30966694 5.30966694 1 Re Re1 1 1.76988898 1.76988898 1.76988898 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.53977796 3.53977796 3.53977796 1 [/CIF]
BaReRuSn
F-43m
216
cubic
-43m
10,170.491361
false
[CIF] data_ZnNiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80331405 _cell_length_b 4.80331405 _cell_length_c 4.80331405 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiSb2 _chemical_formula_sum 'Zn1 Ni1 Sb2' _cell_volume 78.36244014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.69822797 1.69822797 1.69822797 1 Sb Sb2 1 5.09468391 5.09468391 5.09468391 1 Zn Zn3 1 3.39645594 3.39645594 3.39645594 1 [/CIF]
NiSb2Zn
Fm-3m
225
cubic
m-3m
7,789.486905
false
[CIF] data_LaTlSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32636567 _cell_length_b 5.32636567 _cell_length_c 5.32636567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlSe2 _chemical_formula_sum 'La1 Tl1 Se2' _cell_volume 106.85083951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Se Se1 1 1.88315464 1.88315464 1.88315464 1 Se Se2 1 5.64946393 5.64946393 5.64946393 1 Tl Tl3 1 3.76630929 3.76630929 3.76630929 1 [/CIF]
LaSe2Tl
Fm-3m
225
cubic
m-3m
7,789.177849
false
[CIF] data_MgScCoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78739011 _cell_length_b 4.78739011 _cell_length_c 4.78739011 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScCoPb _chemical_formula_sum 'Mg1 Sc1 Co1 Pb1' _cell_volume 77.58565959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69259801 1.69259801 1.69259801 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.07779402 5.07779402 5.07779402 1 Sc Sc3 1 3.38519601 3.38519601 3.38519601 1 [/CIF]
CoMgPbSc
F-43m
216
cubic
-43m
7,178.324194
false
[CIF] data_Ni4AgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73869015 _cell_length_b 4.73869015 _cell_length_c 4.73869015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4AgOs _chemical_formula_sum 'Ni4 Ag1 Os1' _cell_volume 75.24193217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.18565626 4.18565626 2.51586362 1 Ni Ni2 1 4.18565626 2.51586362 4.18565626 1 Ni Ni3 1 2.51586362 4.18565626 4.18565626 1 Ni Ni4 1 2.51586362 2.51586362 2.51586362 1 Os Os5 1 5.02613991 5.02613991 5.02613991 1 [/CIF]
AgNi4Os
F-43m
216
cubic
-43m
11,760.123855
false
[CIF] data_YAl2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24709817 _cell_length_b 3.24709817 _cell_length_c 6.96860774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAl2Rh _chemical_formula_sum 'Y1 Al2 Rh1' _cell_volume 73.47453679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62354909 1.62354909 0.33301868 1 Al Al1 1 0.00000000 0.00000000 1.90902981 1 Rh Rh2 1 1.62354909 1.62354909 3.08741441 1 Y Y3 1 0.00000000 0.00000000 5.12344870 1 [/CIF]
Al2RhY
P4mm
99
tetragonal
4mm
5,554.550675
false
[CIF] data_KRbRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96676858 _cell_length_b 4.96676858 _cell_length_c 4.96676858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRbRe3 _chemical_formula_sum 'K1 Rb1 Re3' _cell_volume 122.52417171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.48338429 0.00000000 2.48338429 1 Re Re1 1 2.48338429 2.48338429 0.00000000 1 Re Re2 1 0.00000000 2.48338429 2.48338429 1 K K3 1 0.00000000 0.00000000 0.00000000 1 Rb Rb4 1 2.48338429 2.48338429 2.48338429 1 [/CIF]
KRbRe3
Pm-3m
221
cubic
m-3m
9,259.06173
false
[CIF] data_CrCo2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47330650 _cell_length_b 4.47330650 _cell_length_c 4.47330650 _cell_angle_alpha 147.40573133 _cell_angle_beta 128.33089513 _cell_angle_gamma 62.43798606 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2B _chemical_formula_sum 'Cr1 Co2 B1' _cell_volume 37.44447343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 -0.00000000 1.94935049 2.21055339 1 Co Co2 1 1.25529347 0.00000000 1.61498474 1 Cr Cr3 1 -0.00000000 -0.00000000 3.82553813 1 [/CIF]
BCo2Cr
Immm
71
orthorhombic
mmm
8,012.274202
false
[CIF] data_MnSb3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28114878 _cell_length_b 5.28114878 _cell_length_c 5.28114878 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSb3As _chemical_formula_sum 'Mn1 Sb3 As1' _cell_volume 147.29405135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 2.64057439 0.00000000 2.64057439 1 Sb Sb1 1 2.64057439 2.64057439 0.00000000 1 Sb Sb2 1 0.00000000 2.64057439 2.64057439 1 As As3 1 2.64057439 2.64057439 2.64057439 1 Mn Mn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsMnSb3
Pm-3m
221
cubic
m-3m
5,582.022603
false
[CIF] data_Mn2GaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08481969 _cell_length_b 3.08481969 _cell_length_c 7.19040138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2GaCl _chemical_formula_sum 'Mn2 Ga1 Cl1' _cell_volume 68.42466859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07501441 1 Ga Ga1 1 1.54240985 1.54240985 5.90223910 1 Mn Mn2 1 0.00000000 0.00000000 0.13112071 1 Mn Mn3 1 1.54240985 1.54240985 1.67722785 1 [/CIF]
ClGaMn2
P4mm
99
tetragonal
4mm
5,218.913572
false
[CIF] data_Li2ZrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50369339 _cell_length_b 4.50369339 _cell_length_c 4.50369339 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZrRu _chemical_formula_sum 'Li2 Zr1 Ru1' _cell_volume 64.59389162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59229607 1.59229607 1.59229607 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.77688820 4.77688820 4.77688820 1 Zr Zr3 1 3.18459214 3.18459214 3.18459214 1 [/CIF]
Li2RuZr
F-43m
216
cubic
-43m
5,300.286318
false
[CIF] data_NbAlTcOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42584001 _cell_length_b 4.42584001 _cell_length_c 4.42584001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlTcOs _chemical_formula_sum 'Nb1 Al1 Tc1 Os1' _cell_volume 61.30164550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69431222 4.69431222 4.69431222 1 Os Os2 1 1.56477074 1.56477074 1.56477074 1 Tc Tc3 1 3.12954148 3.12954148 3.12954148 1 [/CIF]
AlNbOsTc
F-43m
216
cubic
-43m
11,079.645947
false
[CIF] data_TaMn2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26908839 _cell_length_b 4.26908839 _cell_length_c 4.26908839 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMn2Re _chemical_formula_sum 'Ta1 Mn2 Re1' _cell_volume 55.01618131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.52805203 4.52805203 4.52805203 1 Mn Mn1 1 1.50935068 1.50935068 1.50935068 1 Re Re2 1 3.01870135 3.01870135 3.01870135 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2ReTa
Fm-3m
225
cubic
m-3m
14,398.101482
false
[CIF] data_ReAuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71648952 _cell_length_b 5.71648952 _cell_length_c 6.30997656 _cell_angle_alpha 110.57836375 _cell_angle_beta 110.57836375 _cell_angle_gamma 31.31140835 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAuCl2 _chemical_formula_sum 'Re1 Au1 Cl2' _cell_volume 99.76492814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.07998394 0.00000000 1.61359943 1 Cl Cl1 1 0.06032443 0.00000000 0.78299280 1 Cl Cl2 1 0.19222433 0.00000000 3.99941272 1 Re Re3 1 4.72570075 0.00000000 2.41583511 1 [/CIF]
AuCl2Re
Cm
8
monoclinic
m
7,557.935216
false
[CIF] data_KAlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83128952 _cell_length_b 6.83128952 _cell_length_c 6.83128952 _cell_angle_alpha 40.72503229 _cell_angle_beta 40.72503229 _cell_angle_gamma 40.72503229 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlHg2 _chemical_formula_sum 'K1 Al1 Hg2' _cell_volume 122.43991046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 -0.00000000 -0.00000000 5.46899301 1 Hg Hg2 1 0.00000000 -0.00000000 13.29791107 1 K K3 1 0.00000000 -0.00000000 9.38345204 1 [/CIF]
AlHg2K
R-3m
166
trigonal
-3m
6,367.434236
false
[CIF] data_CuBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65325328 _cell_length_b 7.65325328 _cell_length_c 4.43199821 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBi2 _chemical_formula_sum 'Cu3 Bi6' _cell_volume 224.81349660 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.05154481 0.00000000 2.21599910 1 Bi Bi1 1 -1.02577241 1.77668992 2.21599910 1 Bi Bi2 1 2.80085423 4.85122184 2.21599910 1 Bi Bi3 1 4.61376875 0.00000000 0.00000000 1 Bi Bi4 1 -2.30688438 3.99564095 0.00000000 1 Bi Bi5 1 1.51974226 2.63227081 0.00000000 1 Cu Cu6 1 -0.00000000 4.41860784 2.21599910 1 Cu Cu7 1 3.82662664 2.20930392 2.21599910 1 Cu Cu8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi6Cu3
P-62m
189
hexagonal
-6m2
10,669.655482
false
[CIF] data_ThC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83786204 _cell_length_b 3.83786204 _cell_length_c 3.83786204 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThC _chemical_formula_sum 'Th1 C1' _cell_volume 39.97174240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Th Th0 1 2.71377828 2.71377828 2.71377828 1 C C1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C4Th4
Fm-3m
225
cubic
m-3m
10,138.474727
false
[CIF] data_CaZnIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97679030 _cell_length_b 5.97679030 _cell_length_c 5.97679030 _cell_angle_alpha 140.01555984 _cell_angle_beta 131.89293717 _cell_angle_gamma 64.28087871 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZnIn2 _chemical_formula_sum 'Ca1 Zn1 In2' _cell_volume 100.76986433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 2.04342004 -0.00000000 2.76879909 1 In In2 1 -0.00000000 2.43607990 2.29202807 1 Zn Zn3 1 0.00000000 0.00000000 5.06082716 1 [/CIF]
CaIn2Zn
Immm
71
orthorhombic
mmm
5,521.863203
false
[CIF] data_MgSc2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04759628 _cell_length_b 5.04759628 _cell_length_c 5.04759628 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSc2Cl _chemical_formula_sum 'Mg1 Sc2 Cl1' _cell_volume 90.93662621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56918956 3.56918956 3.56918956 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.78459478 1.78459478 1.78459478 1 Sc Sc3 1 5.35378434 5.35378434 5.35378434 1 [/CIF]
ClMgSc2
Fm-3m
225
cubic
m-3m
2,733.030685
false
[CIF] data_SrZr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06395903 _cell_length_b 3.06395903 _cell_length_c 10.63210000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.26504169 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZr2W _chemical_formula_sum 'Sr1 Zr2 W1' _cell_volume 94.78364037 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 0.00000000 5.03975596 1 W W1 1 1.79521185 0.00000000 2.37161473 1 Zr Zr2 1 0.00000000 0.00000000 0.23792620 1 Zr Zr3 1 1.79521185 0.00000000 8.29885312 1 [/CIF]
SrWZr2
Cmm2
35
orthorhombic
mm2
7,952.131441
false
[CIF] data_Th2NiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29372545 _cell_length_b 5.29372545 _cell_length_c 5.29372545 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2NiPb _chemical_formula_sum 'Th2 Ni1 Pb1' _cell_volume 104.89849133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 -0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.74322916 3.74322916 3.74322916 1 Th Th2 1 5.61484374 5.61484374 5.61484374 1 Th Th3 1 1.87161458 1.87161458 1.87161458 1 [/CIF]
NiPbTh2
Fm-3m
225
cubic
m-3m
11,555.38931
false
[CIF] data_CrCoAgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28810079 _cell_length_b 4.28810079 _cell_length_c 4.28810079 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCoAgPt _chemical_formula_sum 'Cr1 Co1 Ag1 Pt1' _cell_volume 55.75450412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.54821773 4.54821773 4.54821773 1 Co Co1 1 3.03214515 3.03214515 3.03214515 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 1.51607257 1.51607257 1.51607257 1 [/CIF]
AgCoCrPt
F-43m
216
cubic
-43m
12,326.652388
false
[CIF] data_TlCr4Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04492895 _cell_length_b 5.04492895 _cell_length_c 5.04492895 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCr4Sb _chemical_formula_sum 'Tl1 Cr4 Sb1' _cell_volume 90.79253968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.68193497 2.68193497 4.45267197 1 Cr Cr1 1 2.68193497 4.45267197 2.68193497 1 Cr Cr2 1 4.45267197 2.68193497 2.68193497 1 Cr Cr3 1 4.45267197 4.45267197 4.45267197 1 Sb Sb4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 1.78365174 1.78365174 1.78365174 1 [/CIF]
Cr4SbTl
F-43m
216
cubic
-43m
9,768.86334
false
[CIF] data_Co2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91124200 _cell_length_b 4.91124200 _cell_length_c 6.29960307 _cell_angle_alpha 106.04276056 _cell_angle_beta 106.04276056 _cell_angle_gamma 31.61763404 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2Pt _chemical_formula_sum 'Co4 Pt2' _cell_volume 76.30219138 _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 Co Co0 1 0.33747001 0.00000000 3.17018610 1 Co Co1 1 4.01574448 0.00000000 1.34668531 1 Co Co2 1 3.62585273 0.00000000 4.68748474 1 Co Co3 1 7.30412720 0.00000000 2.86398395 1 Pt Pt4 1 6.17855126 0.00000000 5.19052664 1 Pt Pt5 1 1.46304595 0.00000000 0.84364341 1 [/CIF]
Co4Pt2
C2/m
12
monoclinic
2/m
13,621.2693
false
[CIF] data_Sr2CuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11540232 _cell_length_b 6.11540232 _cell_length_c 6.11540232 _cell_angle_alpha 135.46058218 _cell_angle_beta 135.46058218 _cell_angle_gamma 64.81539528 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CuW _chemical_formula_sum 'Sr2 Cu1 W1' _cell_volume 110.92052694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 2.31753547 0.00000000 2.58148234 1 Sr Sr2 1 -0.00000000 0.00000000 5.16296467 1 W W3 1 0.00000000 2.31753547 2.58148234 1 [/CIF]
CuSr2W
I-4m2
119
tetragonal
-42m
6,326.935176
false
[CIF] data_LiZn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18675241 _cell_length_b 4.18675241 _cell_length_c 2.97106795 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZn2Cu _chemical_formula_sum 'Li1 Zn2 Cu1' _cell_volume 52.07954034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09337621 2.09337621 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 2.09337621 1.48553398 1 Zn Zn3 1 2.09337621 0.00000000 1.48553398 1 [/CIF]
CuLiZn2
P4/mmm
123
tetragonal
4/mmm
6,416.694605
false
[CIF] data_YbPmTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13951513 _cell_length_b 5.13951513 _cell_length_c 5.13951513 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbPmTi2 _chemical_formula_sum 'Yb1 Pm1 Ti2' _cell_volume 95.99562681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pm Pm0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 5.45127900 5.45127900 5.45127900 1 Ti Ti2 1 1.81709300 1.81709300 1.81709300 1 Yb Yb3 1 3.63418600 3.63418600 3.63418600 1 [/CIF]
PmTi2Yb
Fm-3m
225
cubic
m-3m
7,157.733765
false
[CIF] data_LaZr2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35773886 _cell_length_b 3.35773886 _cell_length_c 8.61247495 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZr2Pd _chemical_formula_sum 'La1 Zr2 Pd1' _cell_volume 97.10057607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.67886943 1.67886943 4.58098094 1 Pd Pd1 1 0.00000000 0.00000000 6.81105627 1 Zr Zr2 1 1.67886943 1.67886943 8.36029376 1 Zr Zr3 1 0.00000000 0.00000000 1.77885640 1 [/CIF]
LaPdZr2
P4mm
99
tetragonal
4mm
7,315.496336
false
[CIF] data_CaScHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16959820 _cell_length_b 5.16959820 _cell_length_c 5.16959820 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaScHg2 _chemical_formula_sum 'Ca1 Sc1 Hg2' _cell_volume 97.69118314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.82772897 1.82772897 1.82772897 1 Hg Hg2 1 5.48318691 5.48318691 5.48318691 1 Sc Sc3 1 3.65545794 3.65545794 3.65545794 1 [/CIF]
CaHg2Sc
Fm-3m
225
cubic
m-3m
8,264.586114
false
[CIF] data_NaCdPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32704452 _cell_length_b 3.32704452 _cell_length_c 6.67335950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdPd2 _chemical_formula_sum 'Na1 Cd1 Pd2' _cell_volume 73.86891940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 3.33667975 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.66352226 1.66352226 1.80701409 1 Pd Pd3 1 1.66352226 1.66352226 4.86634541 1 [/CIF]
CdNaPd2
P4/mmm
123
tetragonal
4/mmm
7,828.291068
false
[CIF] data_ZrScIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18669608 _cell_length_b 3.18669608 _cell_length_c 8.78322377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScIn2 _chemical_formula_sum 'Zr1 Sc1 In2' _cell_volume 89.19391775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.59334804 1.59334804 6.59879878 1 In In1 1 1.59334804 1.59334804 2.18442499 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 4.39161188 1 [/CIF]
In2ScZr
P4/mmm
123
tetragonal
4/mmm
6,810.757995
false
[CIF] data_NaLaGaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17000146 _cell_length_b 5.17000146 _cell_length_c 5.17000146 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaGaAu _chemical_formula_sum 'Na1 La1 Ga1 Au1' _cell_volume 97.71404661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82787155 1.82787155 1.82787155 1 Ga Ga1 1 5.48361464 5.48361464 5.48361464 1 La La2 1 3.65574309 3.65574309 3.65574309 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuGaLaNa
F-43m
216
cubic
-43m
7,283.311276
false
[CIF] data_HgGeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40611713 _cell_length_b 3.40611713 _cell_length_c 10.24737623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.78082581 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgGeCl2 _chemical_formula_sum 'Hg1 Ge1 Cl2' _cell_volume 117.15827149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19439645 0.00000000 8.62770863 1 Cl Cl1 1 2.19439645 0.00000000 1.61966760 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 0.00000000 0.00000000 5.12368811 1 [/CIF]
Cl2GeHg
Cmmm
65
orthorhombic
mmm
4,877.600744
false
[CIF] data_YZrCrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96103913 _cell_length_b 4.96103913 _cell_length_c 4.96103913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrCrHg _chemical_formula_sum 'Y1 Zr1 Cr1 Hg1' _cell_volume 86.33819392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 5.26197662 5.26197662 5.26197662 1 Y Y2 1 1.75399221 1.75399221 1.75399221 1 Zr Zr3 1 3.50798441 3.50798441 3.50798441 1 [/CIF]
CrHgYZr
F-43m
216
cubic
-43m
8,322.40874
false
[CIF] data_Mg2TaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03431723 _cell_length_b 3.03431723 _cell_length_c 8.30447858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TaAu _chemical_formula_sum 'Mg2 Ta1 Au1' _cell_volume 76.46000738 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51715862 1.51715862 6.23447726 1 Mg Mg1 1 0.00000000 0.00000000 8.07874699 1 Mg Mg2 1 1.51715862 1.51715862 2.17487351 1 Ta Ta3 1 0.00000000 0.00000000 4.27309869 1 [/CIF]
AuMg2Ta
P4mm
99
tetragonal
4mm
9,263.149909
false
[CIF] data_CaTe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02290670 _cell_length_b 5.02290670 _cell_length_c 5.02290670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTe2Mo _chemical_formula_sum 'Ca1 Te2 Mo1' _cell_volume 89.60873292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.55173139 3.55173139 3.55173139 1 Te Te2 1 1.77586570 1.77586570 1.77586570 1 Te Te3 1 5.32759709 5.32759708 5.32759709 1 [/CIF]
CaMoTe2
Fm-3m
225
cubic
m-3m
7,250.029793
false
[CIF] data_LaScTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47305437 _cell_length_b 5.47305437 _cell_length_c 5.47305437 _cell_angle_alpha 131.24921437 _cell_angle_beta 131.24921437 _cell_angle_gamma 71.41742766 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScTi2 _chemical_formula_sum 'La1 Sc1 Ti2' _cell_volume 90.69834985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.44409152 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 2.25880219 -0.00000000 2.22204576 1 Ti Ti3 1 0.00000000 2.25880219 2.22204576 1 [/CIF]
LaScTi2
I4/mmm
139
tetragonal
4/mmm
5,118.936071
false
[CIF] data_Si17Au12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87568861 _cell_length_b 8.87568861 _cell_length_c 8.87568861 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si17Au12 _chemical_formula_sum 'Si17 Au12' _cell_volume 538.25030117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.06106724 3.91250641 -1.06106724 1 Au Au1 1 -1.06106724 3.91250641 1.06106724 1 Au Au2 1 4.06331397 1.21187480 4.06331397 1 Au Au3 1 1.06106724 6.33625601 1.06106724 1 Au Au4 1 3.91250641 1.06106724 -1.06106724 1 Au Au5 1 3.91250641 -1.06106724 1.06106724 1 Au Au6 1 6.33625601 1.06106724 1.06106724 1 Au Au7 1 1.21187480 4.06331397 4.06331397 1 Au Au8 1 1.06106724 1.06106724 6.33625601 1 Au Au9 1 4.06331397 4.06331397 1.21187480 1 Au Au10 1 1.06106724 -1.06106724 3.91250641 1 Au Au11 1 -1.06106724 1.06106724 3.91250641 1 Si Si12 1 -1.57643778 6.52677246 1.57643778 1 Si Si13 1 1.57643778 6.52677246 -1.57643778 1 Si Si14 1 1.57643778 3.72198996 1.57643778 1 Si Si15 1 3.54794343 -1.40239125 3.54794343 1 Si Si16 1 6.52677246 -1.57643778 1.57643778 1 Si Si17 1 6.52677246 1.57643778 -1.57643778 1 Si Si18 1 -1.40239125 3.54794343 3.54794343 1 Si Si19 1 3.72198996 1.57643778 1.57643778 1 Si Si20 1 3.54794343 3.54794343 -1.40239125 1 Si Si21 1 1.57643778 1.57643778 3.72198996 1 Si Si22 1 -1.57643778 1.57643778 6.52677246 1 Si Si23 1 1.57643778 -1.57643778 6.52677246 1 Si Si24 1 3.75455130 3.75455130 -3.75455130 1 Si Si25 1 -3.75455130 3.75455130 3.75455130 1 Si Si26 1 1.36982991 1.36982991 1.36982991 1 Si Si27 1 3.75455130 -3.75455130 3.75455130 1 Si Si28 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au12Si17
I-43m
217
cubic
-43m
8,764.841135
false
[CIF] data_VMo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19171724 _cell_length_b 5.19171724 _cell_length_c 5.19171724 _cell_angle_alpha 144.89476159 _cell_angle_beta 129.53483642 _cell_angle_gamma 62.95794330 _symmetry_Int_Tables_number 1 _chemical_formula_structural VMo2W _chemical_formula_sum 'V1 Mo2 W1' _cell_volume 61.37199580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00090307 1 Mo Mo1 1 1.56572611 0.00000000 2.21378430 1 V V2 1 0.00000000 0.00000000 4.42658335 1 W W3 1 -0.00000000 2.21319667 2.21405315 1 [/CIF]
Mo2VW
Imm2
44
orthorhombic
mm2
11,545.241462
false
[CIF] data_ScFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72787145 _cell_length_b 6.72787145 _cell_length_c 4.21824740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 152.31667168 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFe2 _chemical_formula_sum 'Sc2 Fe4' _cell_volume 88.70580431 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.60957314 -1.50910062 3.16368555 1 Fe Fe1 1 1.60957314 1.50910062 1.05456185 1 Fe Fe2 1 1.60957314 3.29219080 3.16368555 1 Fe Fe3 1 1.60957314 -3.29219080 1.05456185 1 Sc Sc4 1 1.60957314 -5.45335941 3.16368555 1 Sc Sc5 1 1.60957314 5.45335941 1.05456185 1 [/CIF]
Fe4Sc2
Cmcm
63
orthorhombic
mmm
5,864.704312
false
[CIF] data_Cu2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39383262 _cell_length_b 5.39383262 _cell_length_c 5.39383262 _cell_angle_alpha 150.56227129 _cell_angle_beta 150.56227129 _cell_angle_gamma 42.11667150 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2Ru _chemical_formula_sum 'Cu2 Ru1' _cell_volume 37.81488493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 3.29909607 1 Cu Cu1 1 -0.00000000 0.00000000 6.76811571 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2Ru
I4/mmm
139
tetragonal
4/mmm
10,019.121181
false
[CIF] data_YScSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09373839 _cell_length_b 5.09373839 _cell_length_c 5.09373839 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScSnAu _chemical_formula_sum 'Y1 Sc1 Sn1 Au1' _cell_volume 93.45335813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80090848 1.80090848 1.80090848 1 Sc Sc1 1 0.00000000 -0.00000000 0.00000000 1 Sn Sn2 1 5.40272544 5.40272544 5.40272544 1 Y Y3 1 3.60181696 3.60181696 3.60181696 1 [/CIF]
AuScSnY
F-43m
216
cubic
-43m
7,987.684718
false
[CIF] data_NaHf2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21824180 _cell_length_b 5.21824180 _cell_length_c 3.47557664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.70213569 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHf2Te _chemical_formula_sum 'Na1 Hf2 Te1' _cell_volume 90.15892126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.53908438 -2.10682964 1.73778832 1 Hf Hf1 1 1.53908438 2.10682964 1.73778832 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.07816876 0.00000000 0.00000000 1 [/CIF]
Hf2NaTe
Cmmm
65
orthorhombic
mmm
9,348.375282
false
[CIF] data_SiPdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47632401 _cell_length_b 3.47632401 _cell_length_c 6.55876444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPdSe2 _chemical_formula_sum 'Si1 Pd1 Se2' _cell_volume 79.26154423 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73816200 1.73816200 4.76164265 1 Se Se1 1 0.00000000 0.00000000 5.92105407 1 Se Se2 1 1.73816200 1.73816200 2.26592089 1 Si Si3 1 0.00000000 0.00000000 3.44829349 1 [/CIF]
PdSe2Si
P4mm
99
tetragonal
4mm
6,126.350067
false
[CIF] data_NaHfBeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48516293 _cell_length_b 4.48516293 _cell_length_c 4.48516293 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfBeRh _chemical_formula_sum 'Na1 Hf1 Be1 Rh1' _cell_volume 63.79985229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17148912 3.17148912 3.17148912 1 Na Na2 1 1.58574456 1.58574456 1.58574456 1 Rh Rh3 1 4.75723368 4.75723368 4.75723368 1 [/CIF]
BeHfNaRh
F-43m
216
cubic
-43m
8,156.895236
false
[CIF] data_ScFeSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10872369 _cell_length_b 5.10872369 _cell_length_c 5.10872369 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeSe3 _chemical_formula_sum 'Sc1 Fe1 Se3' _cell_volume 133.33287457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 2.55436184 2.55436184 2.55436184 1 Se Se2 1 0.00000000 2.55436184 0.00000000 1 Se Se3 1 0.00000000 0.00000000 2.55436184 1 Se Se4 1 2.55436184 0.00000000 0.00000000 1 [/CIF]
FeScSe3
Pm-3m
221
cubic
m-3m
4,205.507068
false
[CIF] data_TbCoSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59013707 _cell_length_b 5.59013707 _cell_length_c 5.59013707 _cell_angle_alpha 137.33411676 _cell_angle_beta 137.33411676 _cell_angle_gamma 61.92437571 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCoSi3 _chemical_formula_sum 'Tb1 Co1 Si3' _cell_volume 79.29740985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 -0.00000000 0.02584345 1 Co Co1 1 0.00000000 -0.00000000 6.33634266 1 Si Si2 1 -0.00000000 0.00000000 4.11559594 1 Si Si3 1 2.03361828 -0.00000000 2.50274345 1 Si Si4 1 -0.00000000 2.03361828 2.50274345 1 [/CIF]
CoSi3Tb
I4mm
107
tetragonal
4mm
6,326.484506
false
[CIF] data_Tm2UMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02547050 _cell_length_b 5.02547050 _cell_length_c 5.02547050 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2UMo _chemical_formula_sum 'Tm2 U1 Mo1' _cell_volume 89.74601763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tm Tm1 1 1.77677213 1.77677214 1.77677214 1 Tm Tm2 1 5.33031641 5.33031641 5.33031641 1 U U3 1 3.55354427 3.55354427 3.55354427 1 [/CIF]
MoTm2U
Fm-3m
225
cubic
m-3m
12,431.140379
false
[CIF] data_HfSi2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18534673 _cell_length_b 5.18534673 _cell_length_c 5.18534673 _cell_angle_alpha 133.64109809 _cell_angle_beta 133.64109809 _cell_angle_gamma 67.64911955 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSi2Hg _chemical_formula_sum 'Hf1 Si2 Hg1' _cell_volume 71.77923211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 4.30770573 1 Si Si2 1 0.00000000 2.04101593 2.15385287 1 Si Si3 1 2.04101593 0.00000000 2.15385287 1 [/CIF]
HfHgSi2
I4/mmm
139
tetragonal
4/mmm
10,069.086392
false
[CIF] data_TlInCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11839401 _cell_length_b 3.11839401 _cell_length_c 6.48135833 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlInCo2 _chemical_formula_sum 'Tl1 In1 Co2' _cell_volume 63.02719929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55919701 1.55919701 4.90645087 1 Co Co1 1 1.55919701 1.55919701 1.57490746 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.24067917 1 [/CIF]
Co2InTl
P4/mmm
123
tetragonal
4/mmm
11,515.155164
false
[CIF] data_TaBeMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19572759 _cell_length_b 5.19572759 _cell_length_c 5.19572759 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBeMo4 _chemical_formula_sum 'Ta1 Be1 Mo4' _cell_volume 99.18000383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.59873762 4.59873762 2.74913080 1 Mo Mo2 1 4.59873762 2.74913080 4.59873762 1 Mo Mo3 1 2.74913080 4.59873762 4.59873762 1 Mo Mo4 1 2.74913080 2.74913080 2.74913080 1 Ta Ta5 1 5.51090132 5.51090132 5.51090132 1 [/CIF]
BeMo4Ta
F-43m
216
cubic
-43m
9,606.950822
false
[CIF] data_InPd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80791662 _cell_length_b 4.80791662 _cell_length_c 3.39455336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPd2Pb _chemical_formula_sum 'In1 Pd2 Pb1' _cell_volume 78.46870670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.40395831 2.40395831 0.00000000 1 Pd Pd2 1 2.40395831 0.00000000 1.69727668 1 Pd Pd3 1 0.00000000 2.40395831 1.69727668 1 [/CIF]
InPbPd2
P4/mmm
123
tetragonal
4/mmm
11,318.557951
false
[CIF] data_NaCrFeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56697177 _cell_length_b 4.56697177 _cell_length_c 4.56697177 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrFeAu _chemical_formula_sum 'Na1 Cr1 Fe1 Au1' _cell_volume 67.35502230 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61466836 1.61466836 1.61466836 1 Cr Cr1 1 4.84400507 4.84400507 4.84400507 1 Fe Fe2 1 3.22933671 3.22933671 3.22933671 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCrFeNa
F-43m
216
cubic
-43m
8,081.363997
false
[CIF] data_KTbF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41633300 _cell_length_b 8.58148398 _cell_length_c 11.17768148 _cell_angle_alpha 79.05550266 _cell_angle_beta 75.67228650 _cell_angle_gamma 70.53431473 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTbF5 _chemical_formula_sum 'K6 Tb6 F30' _cell_volume 645.35287852 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.17964229 4.35951383 2.54341957 1 K K1 1 7.06694646 8.05427578 10.04844801 1 K K2 1 9.20809490 7.19520916 4.58656341 1 K K3 1 3.83406610 2.16892584 6.16835359 1 K K4 1 5.97521454 1.30985922 0.70646899 1 K K5 1 8.86251871 5.00462117 8.21149743 1 Tb Tb6 1 7.78271823 5.49642993 0.91882482 1 Tb Tb7 1 7.38792714 1.24332933 7.98110560 1 Tb Tb8 1 5.25944277 3.86770507 9.83609218 1 Tb Tb9 1 5.65423386 8.12080567 2.77381140 1 Tb Tb10 1 7.59508691 3.25851404 4.74296142 1 Tb Tb11 1 5.44707409 6.10562096 6.01195558 1 F F12 1 5.68275406 6.25276157 1.47103604 1 F F13 1 8.82940272 7.48208363 7.44187557 1 F F14 1 11.50309794 7.72101862 6.93630843 1 F F15 1 5.27572848 1.91176231 8.54693254 1 F F16 1 10.14084821 8.23342019 9.97615346 1 F F17 1 10.45910708 3.19728970 9.46779004 1 F F18 1 4.42400949 6.65470397 4.02054289 1 F F19 1 6.32232713 3.95998814 0.15116036 1 F F20 1 3.48405519 7.99378223 1.66312961 1 F F21 1 2.58305392 6.16684530 1.28712696 1 F F22 1 6.71983387 5.40414686 10.60375664 1 F F23 1 9.55810581 1.37035277 9.09178739 1 F F24 1 2.90131279 1.13071481 0.77876354 1 F F25 1 6.49278580 1.62468062 5.90947198 1 F F26 1 7.76643252 7.45237269 2.20798446 1 F F27 1 7.54517221 4.67772554 2.99364190 1 F F28 1 11.41171922 5.82645036 9.66447597 1 F F29 1 6.54937520 7.73945438 4.84544502 1 F F30 1 5.48257602 4.10999754 4.93356006 1 F F31 1 1.63044178 3.53768464 1.09044103 1 F F32 1 7.35940694 3.11137343 9.28388096 1 F F33 1 5.49698879 4.68640946 7.76127510 1 F F34 1 6.24908778 2.07379810 3.15788024 1 F F35 1 7.55958498 5.25413746 5.82135694 1 F F36 1 8.61815151 2.70943103 6.73437411 1 F F37 1 3.19691420 5.21734979 6.14274613 1 F F38 1 4.21275828 1.88205137 3.31304143 1 F F39 1 6.79307322 7.29033690 7.59703676 1 F F40 1 1.53906306 1.64311638 3.81860857 1 F F41 1 9.84524680 4.14678521 4.61217087 1 [/CIF]
F30K6Tb6
P-1
2
triclinic
-1
4,523.701467
false
[CIF] data_ZnTeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86859568 _cell_length_b 4.86859568 _cell_length_c 4.86859568 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTeAu2 _chemical_formula_sum 'Zn1 Te1 Au2' _cell_volume 81.60112200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72130851 1.72130851 1.72130851 1 Au Au1 1 3.44261702 3.44261702 3.44261702 1 Te Te2 1 5.16392553 5.16392553 5.16392553 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2TeZn
F-43m
216
cubic
-43m
11,943.367572
false
[CIF] data_CuNi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91144727 _cell_length_b 2.91144727 _cell_length_c 5.81208976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNi2Pd _chemical_formula_sum 'Cu1 Ni2 Pd1' _cell_volume 49.26632535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.49475991 1 Ni Ni1 1 1.45572364 1.45572364 0.04380560 1 Ni Ni2 1 0.00000000 0.00000000 1.29312918 1 Pd Pd3 1 1.45572364 1.45572364 2.88643995 1 [/CIF]
CuNi2Pd
P4mm
99
tetragonal
4mm
9,685.328607
false
[CIF] data_Tl2SiTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.93100340 _cell_length_b 9.93100340 _cell_length_c 9.93100340 _cell_angle_alpha 18.21707105 _cell_angle_beta 18.21707105 _cell_angle_gamma 18.21707105 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2SiTc _chemical_formula_sum 'Tl2 Si1 Tc1' _cell_volume 83.59502255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Tc Tc1 1 -0.00000000 -0.00000000 14.64551448 1 Tl Tl2 1 0.00000000 -0.00000000 22.10314783 1 Tl Tl3 1 0.00000000 0.00000000 7.18788113 1 [/CIF]
SiTcTl2
R-3m
166
trigonal
-3m
10,642.351176
false
[CIF] data_CaGaIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96740114 _cell_length_b 4.96740114 _cell_length_c 4.96740114 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaIrPb _chemical_formula_sum 'Ca1 Ga1 Ir1 Pb1' _cell_volume 86.67077894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 5.26872455 5.26872454 5.26872455 1 Ir Ir2 1 1.75624152 1.75624152 1.75624152 1 Pb Pb3 1 3.51248303 3.51248303 3.51248303 1 [/CIF]
CaGaIrPb
F-43m
216
cubic
-43m
9,756.187642
false
[CIF] data_CuReRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28474755 _cell_length_b 4.28474755 _cell_length_c 4.28474755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuReRu2 _chemical_formula_sum 'Cu1 Re1 Ru2' _cell_volume 55.62380838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.02977405 3.02977405 3.02977405 1 Ru Ru2 1 1.51488702 1.51488702 1.51488702 1 Ru Ru3 1 4.54466108 4.54466108 4.54466107 1 [/CIF]
CuReRu2
Fm-3m
225
cubic
m-3m
13,490.374037
false
[CIF] data_TaBe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69180975 _cell_length_b 3.63812315 _cell_length_c 5.32117759 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.42295501 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBe2Os _chemical_formula_sum 'Ta1 Be2 Os1' _cell_volume 50.68749351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.05182592 1.81906158 1.50530132 1 Be Be1 1 0.40473833 1.81906158 3.67051741 1 Os Os2 1 -0.61762275 0.00000000 2.58790937 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2OsTa
P2/m
10
monoclinic
2/m
12,750.394353
false
[CIF] data_LaGa3Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63574674 _cell_length_b 5.63574674 _cell_length_c 5.63574674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGa3Si _chemical_formula_sum 'La1 Ga3 Si1' _cell_volume 179.00056651 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Ga Ga1 1 2.81787337 0.00000000 2.81787337 1 Ga Ga2 1 2.81787337 2.81787337 0.00000000 1 Ga Ga3 1 0.00000000 2.81787337 2.81787337 1 La La4 1 2.81787337 2.81787337 2.81787337 1 [/CIF]
Ga3LaSi
Pm-3m
221
cubic
m-3m
3,489.532674
false
[CIF] data_KBaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00632677 _cell_length_b 6.00632677 _cell_length_c 6.00632677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaIn _chemical_formula_sum 'K1 Ba1 In1' _cell_volume 153.21873430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.37067159 6.37067159 6.37067159 1 In In1 1 4.24711439 4.24711439 4.24711439 1 K K2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaInK
F-43m
216
cubic
-43m
3,156.408253
false
[CIF] data_ZnFeTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64101613 _cell_length_b 2.64101613 _cell_length_c 7.67915201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeTc2 _chemical_formula_sum 'Zn1 Fe1 Tc2' _cell_volume 53.56182571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 1.32050807 1.32050807 1.77434863 1 Tc Tc2 1 1.32050807 1.32050807 5.90480338 1 Zn Zn3 1 0.00000000 0.00000000 3.83957601 1 [/CIF]
FeTc2Zn
P4/mmm
123
tetragonal
4/mmm
9,890.888883
false
[CIF] data_LaHf2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33886633 _cell_length_b 5.36350282 _cell_length_c 5.91167090 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.03596136 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHf2Tl _chemical_formula_sum 'La1 Hf2 Tl1' _cell_volume 104.82676275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.48814316 2.68175141 4.25848491 1 Hf Hf1 1 2.02430344 2.68175141 1.59513647 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 1.25622330 0.00000000 2.92681069 1 [/CIF]
Hf2LaTl
P2/m
10
monoclinic
2/m
11,092.812744
false
[CIF] data_CdFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34188424 _cell_length_b 4.34188424 _cell_length_c 2.68672594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFe2 _chemical_formula_sum 'Cd1 Fe2' _cell_volume 43.86422714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 -0.00000000 2.50678804 1.34336297 1 Fe Fe2 1 2.17094212 1.25339402 1.34336297 1 [/CIF]
Cd2Fe4
P6/mmm
191
hexagonal
6/mmm
8,483.643702
false
[CIF] data_TcNiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06844147 _cell_length_b 4.06844147 _cell_length_c 4.06844147 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNiRh _chemical_formula_sum 'Tc1 Ni1 Rh1' _cell_volume 47.61778815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 2.87682255 2.87682255 2.87682255 1 Tc Tc2 1 4.31523382 4.31523382 4.31523382 1 [/CIF]
NiRhTc
F-43m
216
cubic
-43m
9,084.397079
false
[CIF] data_Ag2PdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74643158 _cell_length_b 2.74643158 _cell_length_c 9.64293736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.48515922 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2PdW _chemical_formula_sum 'Ag2 Pd1 W1' _cell_volume 66.71040802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.50614729 0.00000000 7.27694046 1 Ag Ag1 1 1.50614729 0.00000000 2.36599690 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 4.82146868 1 [/CIF]
Ag2PdW
Cmmm
65
orthorhombic
mmm
12,595.137922
false
[CIF] data_YAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48856820 _cell_length_b 3.48856820 _cell_length_c 11.48382006 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlO3 _chemical_formula_sum 'Y2 Al2 O6' _cell_volume 121.03513126 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 2.01412579 4.68874061 1 O O1 1 1.74428410 1.00706289 10.43065064 1 O O2 1 1.74428410 1.00706289 6.79507945 1 O O3 1 0.00000000 2.01412579 1.05316942 1 O O4 1 0.00000000 0.00000000 2.87095501 1 O O5 1 0.00000000 0.00000000 8.61286504 1 Al Al6 1 1.74428410 1.00706289 8.61286504 1 Al Al7 1 0.00000000 2.01412579 2.87095501 1 Y Y8 1 0.00000000 0.00000000 5.74191003 1 Y Y9 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2O6Y2
P6_3/mmc
194
hexagonal
6/mmm
4,496.850122
false