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_ThTaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04529349 _cell_length_b 4.04529349 _cell_length_c 4.04529349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThTaO3 _chemical_formula_sum 'Th1 Ta1 O3' _cell_volume 66.19879859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02264675 0.00000000 1 O O1 1 2.02264675 0.00000000 0.00000000 1 O O2 1 0.00000000 0.00000000 2.02264675 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 Th Th4 1 2.02264675 2.02264675 2.02264675 1 [/CIF]
O3TaTh
Pm-3m
221
cubic
m-3m
11,563.384682
false
[CIF] data_LuTaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60110116 _cell_length_b 4.60110116 _cell_length_c 4.60110116 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuTaOs2 _chemical_formula_sum 'Lu1 Ta1 Os2' _cell_volume 68.87638556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 3.25346983 3.25346983 3.25346983 1 Os Os2 1 4.88020475 4.88020475 4.88020475 1 Os Os3 1 1.62673492 1.62673492 1.62673492 1 [/CIF]
LuOs2Ta
Fm-3m
225
cubic
m-3m
17,753.239236
false
[CIF] data_SrTe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75022628 _cell_length_b 3.75022628 _cell_length_c 7.56500788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTe2Pt _chemical_formula_sum 'Sr1 Te2 Pt1' _cell_volume 106.39576227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.78250394 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.87511314 1.87511314 2.20681909 1 Te Te3 1 1.87511314 1.87511314 5.35818879 1 [/CIF]
PtSrTe2
P4/mmm
123
tetragonal
4/mmm
8,395.207363
false
[CIF] data_K2YAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85567435 _cell_length_b 3.85567435 _cell_length_c 11.41558232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2YAl _chemical_formula_sum 'K2 Y1 Al1' _cell_volume 169.70661177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.03749370 1 K K1 1 1.92783718 1.92783718 10.55634365 1 K K2 1 0.00000000 0.00000000 3.25102257 1 Y Y3 1 1.92783718 1.92783718 6.69409576 1 [/CIF]
AlK2Y
P4mm
99
tetragonal
4mm
1,899.065934
false
[CIF] data_Sb2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.14756391 _cell_length_b 10.14756391 _cell_length_c 10.14756391 _cell_angle_alpha 18.14748968 _cell_angle_beta 18.14748968 _cell_angle_gamma 18.14748968 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2PdRu _chemical_formula_sum 'Sb2 Pd1 Ru1' _cell_volume 88.52116366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 15.14821406 1 Ru Ru1 1 0.00000000 -0.00000000 7.35679184 1 Sb Sb2 1 0.00000000 -0.00000000 29.19519037 1 Sb Sb3 1 -0.00000000 0.00000000 23.13399145 1 [/CIF]
PdRuSb2
R3m
160
trigonal
3m
8,460.346571
false
[CIF] data_CuSiCS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11295872 _cell_length_b 4.11295872 _cell_length_c 4.11295872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSiCS _chemical_formula_sum 'Cu1 Si1 C1 S1' _cell_volume 49.19806858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 4.36245150 4.36245150 4.36245150 1 S S2 1 1.45415050 1.45415050 1.45415050 1 Si Si3 1 2.90830100 2.90830100 2.90830100 1 [/CIF]
CCuSSi
F-43m
216
cubic
-43m
4,580.405567
false
[CIF] data_Ga2RuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36765691 _cell_length_b 4.36765691 _cell_length_c 4.36765691 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2RuW _chemical_formula_sum 'Ga2 Ru1 W1' _cell_volume 58.91563339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.63259973 4.63259973 4.63259973 1 Ga Ga1 1 1.54419991 1.54419991 1.54419991 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.08839982 3.08839982 3.08839982 1 [/CIF]
Ga2RuW
Fm-3m
225
cubic
m-3m
11,960.487829
false
[CIF] data_ZrAlMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53091105 _cell_length_b 4.53091105 _cell_length_c 4.53091105 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlMoRh _chemical_formula_sum 'Zr1 Al1 Mo1 Rh1' _cell_volume 65.77208534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.80575690 4.80575690 4.80575690 1 Rh Rh2 1 1.60191896 1.60191896 1.60191897 1 Zr Zr3 1 3.20383793 3.20383793 3.20383793 1 [/CIF]
AlMoRhZr
F-43m
216
cubic
-43m
8,005.050224
false
[CIF] data_NaSrZrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01260635 _cell_length_b 5.01260635 _cell_length_c 5.01260635 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrZrOs _chemical_formula_sum 'Na1 Sr1 Zr1 Os1' _cell_volume 89.05858722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.54444794 3.54444794 3.54444794 1 Sr Sr2 1 1.77222397 1.77222397 1.77222397 1 Zr Zr3 1 5.31667191 5.31667191 5.31667191 1 [/CIF]
NaOsSrZr
F-43m
216
cubic
-43m
7,310.212589
false
[CIF] data_HfMnInSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86822336 _cell_length_b 4.86822336 _cell_length_c 4.86822336 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnInSn _chemical_formula_sum 'Hf1 Mn1 In1 Sn1' _cell_volume 81.58240239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 5.16353063 5.16353063 5.16353063 1 In In1 1 1.72117688 1.72117688 1.72117688 1 Mn Mn2 1 0.00000000 -0.00000000 0.00000000 1 Sn Sn3 1 3.44235375 3.44235375 3.44235375 1 [/CIF]
HfInMnSn
F-43m
216
cubic
-43m
9,504.485433
false
[CIF] data_K2SrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84169945 _cell_length_b 3.84169945 _cell_length_c 11.29467236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SrRh _chemical_formula_sum 'K2 Sr1 Rh1' _cell_volume 166.69416910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.92084973 1.92084973 11.08759911 1 K K1 1 0.00000000 0.00000000 3.79965349 1 Rh Rh2 1 1.92084973 1.92084973 5.99972973 1 Sr Sr3 1 0.00000000 0.00000000 7.34969856 1 [/CIF]
K2RhSr
P4mm
99
tetragonal
4mm
2,676.903678
false
[CIF] data_Hf2GePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99131271 _cell_length_b 3.72143750 _cell_length_c 6.63803238 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.09590847 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2GePt _chemical_formula_sum 'Hf2 Ge1 Pt1' _cell_volume 73.60239117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 1.23422089 1.86071875 1.65359815 1 Hf Hf2 1 1.16748075 1.86071875 4.95819681 1 Pt Pt3 1 -0.29480553 0.00000000 3.30589748 1 [/CIF]
GeHf2Pt
P2/m
10
monoclinic
2/m
14,093.908914
false
[CIF] data_PtRh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73437152 _cell_length_b 4.73437152 _cell_length_c 4.73437152 _cell_angle_alpha 99.56994033 _cell_angle_beta 99.56994033 _cell_angle_gamma 131.87418545 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtRh4 _chemical_formula_sum 'Pt1 Rh4' _cell_volume 72.14974483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Rh Rh1 1 1.21305305 3.65974097 0.00000000 1 Rh Rh2 1 1.84373192 -0.60295600 1.93038988 1 Rh Rh3 1 2.45382896 1.21305305 -0.00000000 1 Rh Rh4 1 0.60295600 1.84373192 1.93038987 1 [/CIF]
PtRh4
I4/m
87
tetragonal
4/m
13,963.445294
false
[CIF] data_ZnFe2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97254160 _cell_length_b 2.97254160 _cell_length_c 5.59877170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFe2Cu _chemical_formula_sum 'Zn1 Fe2 Cu1' _cell_volume 49.47076669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.22217147 1 Fe Fe1 1 1.48627080 1.48627080 0.08033000 1 Fe Fe2 1 0.00000000 0.00000000 1.30846318 1 Zn Zn3 1 1.48627080 1.48627080 2.78719290 1 [/CIF]
CuFe2Zn
P4mm
99
tetragonal
4mm
8,076.532764
false
[CIF] data_HfScTaZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75922088 _cell_length_b 4.75922088 _cell_length_c 4.75922088 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScTaZn _chemical_formula_sum 'Hf1 Sc1 Ta1 Zn1' _cell_volume 76.22414946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68263868 1.68263868 1.68263868 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 3.36527736 3.36527736 3.36527736 1 Zn Zn3 1 5.04791604 5.04791604 5.04791604 1 [/CIF]
HfScTaZn
F-43m
216
cubic
-43m
10,233.997225
false
[CIF] data_AgAsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21247004 _cell_length_b 5.21247004 _cell_length_c 5.21247004 _cell_angle_alpha 142.23856825 _cell_angle_beta 142.23856825 _cell_angle_gamma 54.46960089 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAsPd _chemical_formula_sum 'Ag1 As1 Pd1' _cell_volume 52.74416643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03921064 1 As As1 1 0.00000000 -0.00000000 2.80433699 1 Pd Pd2 1 0.00000000 0.00000000 6.42566875 1 [/CIF]
AgAsPd
I4mm
107
tetragonal
4mm
9,105.161837
false
[CIF] data_GaReBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03728693 _cell_length_b 5.03728693 _cell_length_c 3.11826773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaReBr2 _chemical_formula_sum 'Ga1 Re1 Br2' _cell_volume 79.12373494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51864347 0.00000000 1.55913387 1 Br Br1 1 0.00000000 2.51864347 1.55913387 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 2.51864347 2.51864347 0.00000000 1 [/CIF]
Br2GaRe
P4/mmm
123
tetragonal
4/mmm
8,724.950577
false
[CIF] data_BAsP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75922068 _cell_length_b 2.75922068 _cell_length_c 8.14345554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BAsP2 _chemical_formula_sum 'B1 As1 P2' _cell_volume 61.99855997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 4.07172777 1 B B1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.37961034 1.37961034 1.11178730 1 P P3 1 1.37961034 1.37961034 7.03166824 1 [/CIF]
AsBP2
P4/mmm
123
tetragonal
4/mmm
3,955.392115
false
[CIF] data_NaCaScCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27941524 _cell_length_b 5.27941524 _cell_length_c 5.27941524 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaScCr _chemical_formula_sum 'Na1 Ca1 Sc1 Cr1' _cell_volume 104.05009199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.59966548 5.59966548 5.59966548 1 Cr Cr1 1 3.73311032 3.73311032 3.73311032 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 1.86655516 1.86655516 1.86655516 1 [/CIF]
CaCrNaSc
F-43m
216
cubic
-43m
2,553.7613
false
[CIF] data_LiNiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68541772 _cell_length_b 2.68541772 _cell_length_c 8.54438555 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.90869329 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiW2 _chemical_formula_sum 'Li1 Ni1 W2' _cell_volume 58.95380530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 4.10561630 1 Ni Ni1 1 1.59906719 0.00000000 2.09365087 1 W W2 1 0.00000000 0.00000000 0.16371128 1 W W3 1 1.59906719 0.00000000 6.45359987 1 [/CIF]
LiNiW2
Cmm2
35
orthorhombic
mm2
12,205.072864
false
[CIF] data_OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69534316 _cell_length_b 3.69534316 _cell_length_c 3.69534316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPd _chemical_formula_sum 'Os1 Pd1' _cell_volume 35.68201133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 2.61300221 2.61300221 2.61300221 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsPd
Fm-3m
225
cubic
m-3m
13,805.245157
false
[CIF] data_BaFeBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46154074 _cell_length_b 5.46154074 _cell_length_c 5.46154074 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeBi2 _chemical_formula_sum 'Ba1 Fe1 Bi2' _cell_volume 115.19417903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.79283874 5.79283874 5.79283874 1 Bi Bi1 1 1.93094625 1.93094625 1.93094624 1 Bi Bi2 1 3.86189249 3.86189249 3.86189249 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBi2Fe
F-43m
216
cubic
-43m
8,809.558763
false
[CIF] data_HgF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91737157 _cell_length_b 3.91737157 _cell_length_c 3.91737157 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgF2 _chemical_formula_sum 'Hg1 F2' _cell_volume 42.50786600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 1.38500000 1.38500000 1.38500000 1 F F1 1 4.15500000 4.15500000 4.15500000 1 Hg Hg2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
F8Hg4
Fm-3m
225
cubic
m-3m
9,320.221175
false
[CIF] data_ScNbGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69772033 _cell_length_b 4.69772033 _cell_length_c 4.86590448 _cell_angle_alpha 113.08571038 _cell_angle_beta 113.08571038 _cell_angle_gamma 47.63400268 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbGe2 _chemical_formula_sum 'Sc1 Nb1 Ge2' _cell_volume 71.68378884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.90923938 0.00000000 1.21077852 1 Ge Ge1 1 0.60051885 0.00000000 3.18552020 1 Nb Nb2 1 3.25487911 0.00000000 2.19814936 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2NbSc
C2/m
12
monoclinic
2/m
6,558.928383
false
[CIF] data_Fe3Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.39023011 _cell_length_b 2.39023011 _cell_length_c 15.61291773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Cu _chemical_formula_sum 'Fe6 Cu2' _cell_volume 84.09830400 _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 1.38000000 0.97580736 4.87903679 1 Cu Cu1 1 1.38000000 -0.97580736 10.73388094 1 Fe Fe2 1 1.38000000 -0.97580736 6.83065151 1 Fe Fe3 1 1.38000000 0.97580736 8.78226622 1 Fe Fe4 1 1.38000000 0.97580736 12.68549565 1 Fe Fe5 1 1.38000000 -0.97580736 14.63711037 1 Fe Fe6 1 1.38000000 0.97580736 0.97580736 1 Fe Fe7 1 1.38000000 -0.97580736 2.92742207 1 [/CIF]
Cu2Fe6
Cmme
67
orthorhombic
mmm
9,125.487906
false
[CIF] data_ZnAgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53214695 _cell_length_b 3.89027038 _cell_length_c 7.12253637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAgPb2 _chemical_formula_sum 'Zn1 Ag1 Pb2' _cell_volume 97.87081968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56126819 1 Pb Pb1 1 1.76607348 1.94513519 5.35303637 1 Pb Pb2 1 1.76607348 1.94513519 1.76950000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgPb2Zn
Pmmm
47
orthorhombic
mmm
9,970.416072
false
[CIF] data_SrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42045183 _cell_length_b 5.42045183 _cell_length_c 3.87092460 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSe _chemical_formula_sum 'Sr2 Se2' _cell_volume 113.73278937 _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 Se Se0 1 2.71022592 0.00000000 1.68912432 1 Se Se1 1 0.00000000 2.71022592 2.18180028 1 Sr Sr2 1 2.71022592 2.71022592 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Se2Sr2
P4/nmm
129
tetragonal
4/mmm
4,864.254174
false
[CIF] data_NiMo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84316119 _cell_length_b 4.84316119 _cell_length_c 2.69288919 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.27719069 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMo2Pt _chemical_formula_sum 'Ni1 Mo2 Pt1' _cell_volume 58.02358466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.33167136 -2.02254888 1.34644460 1 Mo Mo1 1 1.33167136 2.02254888 1.34644460 1 Ni Ni2 1 -0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.66334272 0.00000000 0.00000000 1 [/CIF]
Mo2NiPt
Cmmm
65
orthorhombic
mmm
12,755.122747
false
[CIF] data_BaSi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53944029 _cell_length_b 5.53944029 _cell_length_c 5.53944029 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSi5 _chemical_formula_sum 'Ba1 Si5' _cell_volume 120.19396373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.87546369 5.87546369 5.87546369 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 2.86929867 2.86929867 2.86929867 1 Si Si3 1 4.96465291 2.86929867 4.96465291 1 Si Si4 1 4.96465291 4.96465291 2.86929867 1 Si Si5 1 2.86929867 4.96465291 4.96465291 1 [/CIF]
BaSi5
F-43m
216
cubic
-43m
3,837.315817
false
[CIF] data_YZnCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54511823 _cell_length_b 4.54511823 _cell_length_c 4.54511823 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnCo _chemical_formula_sum 'Y1 Zn1 Co1' _cell_volume 66.39273445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Y Y1 1 1.60694196 1.60694196 1.60694196 1 Zn Zn2 1 3.21388392 3.21388392 3.21388392 1 [/CIF]
CoYZn
F-43m
216
cubic
-43m
5,332.790657
false
[CIF] data_CaInRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67189966 _cell_length_b 4.67189966 _cell_length_c 4.67189966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaInRu _chemical_formula_sum 'Ca1 In1 Ru1' _cell_volume 72.10502339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30353193 3.30353193 3.30353193 1 Ru Ru2 1 4.95529790 4.95529790 4.95529790 1 [/CIF]
CaInRu
F-43m
216
cubic
-43m
5,894.756325
false
[CIF] data_HfCoGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14921286 _cell_length_b 5.14921286 _cell_length_c 5.14921286 _cell_angle_alpha 137.65851571 _cell_angle_beta 135.96702087 _cell_angle_gamma 62.73649468 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoGe2 _chemical_formula_sum 'Hf1 Co1 Ge2' _cell_volume 63.12902846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.77024948 1 Ge Ge1 1 -0.00000000 1.93030303 4.15926371 1 Ge Ge2 1 0.00000000 0.00000000 2.16635366 1 Hf Hf3 1 0.00000000 1.93030303 0.09393575 1 [/CIF]
CoGe2Hf
Imm2
44
orthorhombic
mm2
10,066.583024
false
[CIF] data_Li3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07135783 _cell_length_b 5.07135783 _cell_length_c 5.07135783 _cell_angle_alpha 135.49717534 _cell_angle_beta 129.79847228 _cell_angle_gamma 69.31039595 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Hg _chemical_formula_sum 'Li3 Hg1' _cell_volume 68.93830385 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -0.00000000 0.00000000 4.17164283 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 1.92037833 0.00000000 2.07441819 1 Li Li3 1 -0.00000000 2.15132829 2.09722464 1 [/CIF]
HgLi3
Immm
71
orthorhombic
mmm
5,333.246045
false
[CIF] data_La2HfU _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44725649 _cell_length_b 5.44725649 _cell_length_c 5.44725649 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HfU _chemical_formula_sum 'La2 Hf1 U1' _cell_volume 114.29269571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.77768800 5.77768800 5.77768800 1 La La2 1 1.92589600 1.92589600 1.92589600 1 U U3 1 3.85179200 3.85179200 3.85179200 1 [/CIF]
HfLa2U
Fm-3m
225
cubic
m-3m
10,087.799871
false
[CIF] data_HfPRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12759037 _cell_length_b 5.12759037 _cell_length_c 5.12759037 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPRu4 _chemical_formula_sum 'Hf1 P1 Ru4' _cell_volume 95.32898549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 5.43863088 5.43863088 5.43863088 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.53596824 4.53596824 2.71553960 1 Ru Ru3 1 4.53596824 2.71553960 4.53596824 1 Ru Ru4 1 2.71553960 4.53596824 4.53596824 1 Ru Ru5 1 2.71553960 2.71553960 2.71553960 1 [/CIF]
HfPRu4
F-43m
216
cubic
-43m
10,690.82492
false
[CIF] data_Mg2CuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40559203 _cell_length_b 4.40559203 _cell_length_c 4.40559203 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CuRh _chemical_formula_sum 'Mg2 Cu1 Rh1' _cell_volume 60.46413382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 4.67283600 4.67283600 4.67283600 1 Mg Mg2 1 1.55761200 1.55761200 1.55761200 1 Rh Rh3 1 3.11522400 3.11522400 3.11522400 1 [/CIF]
CuMg2Rh
Fm-3m
225
cubic
m-3m
5,906.278646
false
[CIF] data_MgNb2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47571633 _cell_length_b 9.47571633 _cell_length_c 9.47571633 _cell_angle_alpha 17.53103358 _cell_angle_beta 17.53103358 _cell_angle_gamma 17.53103358 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNb2Co _chemical_formula_sum 'Mg1 Nb2 Co1' _cell_volume 67.37761470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.99178929 1 Mg Mg1 1 -0.00000000 -0.00000000 -0.00000000 1 Nb Nb2 1 -0.00000000 0.00000000 6.70850273 1 Nb Nb3 1 0.00000000 0.00000000 21.27507585 1 [/CIF]
CoMgNb2
R-3m
166
trigonal
-3m
6,630.831675
false
[CIF] data_ZnCrNiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21226887 _cell_length_b 4.21226887 _cell_length_c 4.21226887 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCrNiW _chemical_formula_sum 'Zn1 Cr1 Ni1 W1' _cell_volume 52.84857174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.46778582 4.46778582 4.46778582 1 W W2 1 2.97852388 2.97852388 2.97852388 1 Zn Zn3 1 1.48926194 1.48926194 1.48926194 1 [/CIF]
CrNiWZn
F-43m
216
cubic
-43m
11,308.608077
false
[CIF] data_Li4Co3TeO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01458088 _cell_length_b 6.01458088 _cell_length_c 6.01458088 _cell_angle_alpha 60.95382209 _cell_angle_beta 60.95382209 _cell_angle_gamma 60.95382209 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Co3TeO8 _chemical_formula_sum 'Li4 Co3 Te1 O8' _cell_volume 157.15776202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 -1.52527096 -0.88061560 4.87518634 1 Li Li2 1 0.00000000 1.76123120 4.87518634 1 Li Li3 1 1.52527096 -0.88061560 4.87518634 1 Co Co4 1 1.52527096 0.88061560 2.43759317 1 Co Co5 1 -0.00000000 -1.76123120 2.43759317 1 Co Co6 1 -1.52527096 0.88061560 2.43759317 1 Te Te7 1 0.00000000 0.00000000 7.31277950 1 O O8 1 0.00000000 0.00000000 11.13012353 1 O O9 1 1.39530567 0.80558010 6.16874390 1 O O10 1 0.00000000 -1.61116021 6.16874390 1 O O11 1 0.00000000 0.00000000 3.49543548 1 O O12 1 -1.39530567 0.80558010 6.16874390 1 O O13 1 -1.39530567 -0.80558010 8.45681511 1 O O14 1 -0.00000000 1.61116021 8.45681511 1 O O15 1 1.39530567 -0.80558010 8.45681511 1 [/CIF]
Co3Li4O8Te
R-3m
166
trigonal
-3m
4,862.067542
false
[CIF] data_TcIrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17622565 _cell_length_b 4.17622565 _cell_length_c 4.17622565 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcIrRu _chemical_formula_sum 'Tc1 Ir1 Ru1' _cell_volume 51.50351538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47651874 1.47651874 1.47651874 1 Ru Ru1 1 2.95303748 2.95303748 2.95303748 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRuTc
F-43m
216
cubic
-43m
12,644.8093
false
[CIF] data_Mn2CuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50592734 _cell_length_b 4.50592734 _cell_length_c 4.51053297 _cell_angle_alpha 100.98968142 _cell_angle_beta 100.98968142 _cell_angle_gamma 33.48910407 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CuTc _chemical_formula_sum 'Mn2 Cu1 Tc1' _cell_volume 49.51994878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.21934928 -0.00000000 1.03845706 1 Mn Mn1 1 8.53350344 0.00000000 0.02451472 1 Mn Mn2 1 1.58602155 -0.00000000 3.29150921 1 Tc Tc3 1 3.88858884 0.00000000 2.27589849 1 [/CIF]
CuMn2Tc
Cm
8
monoclinic
m
9,131.91099
false
[CIF] data_TlVP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01908350 _cell_length_b 4.01908350 _cell_length_c 4.09956782 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVP _chemical_formula_sum 'Tl1 V1 P1' _cell_volume 57.34859272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 2.00954175 1.16020947 2.04978391 1 V V2 1 -0.00000000 2.32041894 0.00000000 1 [/CIF]
PTlV
P-6m2
187
hexagonal
-6m2
8,289.827601
false
[CIF] data_LiScBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30118600 _cell_length_b 5.30118600 _cell_length_c 5.30118600 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScBiPb _chemical_formula_sum 'Li1 Sc1 Bi1 Pb1' _cell_volume 105.34262340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87425229 1.87425228 1.87425229 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.74850457 3.74850457 3.74850457 1 Sc Sc3 1 5.62275686 5.62275686 5.62275686 1 [/CIF]
BiLiPbSc
F-43m
216
cubic
-43m
7,378.406173
false
[CIF] data_KNb2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87418146 _cell_length_b 3.62427767 _cell_length_c 8.75690253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNb2Cu _chemical_formula_sum 'K1 Nb2 Cu1' _cell_volume 91.21917974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43709073 1.81213883 3.72787444 1 K K1 1 0.00000000 0.00000000 6.30995399 1 Nb Nb2 1 1.43709073 1.81213883 0.72128329 1 Nb Nb3 1 0.00000000 0.00000000 2.37624207 1 [/CIF]
CuKNb2
Pmm2
25
orthorhombic
mm2
5,251.025262
false
[CIF] data_ScBeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27645600 _cell_length_b 4.27645600 _cell_length_c 4.27645600 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBeRu2 _chemical_formula_sum 'Sc1 Be1 Ru2' _cell_volume 55.30151478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.51195552 1.51195552 1.51195552 1 Ru Ru2 1 4.53586656 4.53586656 4.53586656 1 Sc Sc3 1 3.02391104 3.02391104 3.02391104 1 [/CIF]
BeRu2Sc
Fm-3m
225
cubic
m-3m
7,690.159972
false
[CIF] data_HfVFeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38847517 _cell_length_b 4.38847517 _cell_length_c 4.38847517 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVFeMo _chemical_formula_sum 'Hf1 V1 Fe1 Mo1' _cell_volume 59.76211210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 4.65468083 4.65468083 4.65468083 1 Hf Hf1 1 3.10312055 3.10312055 3.10312055 1 Mo Mo2 1 1.55156027 1.55156028 1.55156028 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeHfMoV
F-43m
216
cubic
-43m
10,592.967344
false
[CIF] data_Na2NiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90270702 _cell_length_b 9.90270702 _cell_length_c 9.90270702 _cell_angle_alpha 18.92395313 _cell_angle_beta 18.92395313 _cell_angle_gamma 18.92395313 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2NiTe _chemical_formula_sum 'Na2 Ni1 Te1' _cell_volume 89.25863418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 21.64355849 1 Na Na1 1 0.00000000 0.00000000 7.52440932 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 -0.00000000 0.00000000 14.58398390 1 [/CIF]
Na2NiTe
R-3m
166
trigonal
-3m
4,321.13142
false
[CIF] data_NaNbTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50759077 _cell_length_b 4.50759077 _cell_length_c 4.50759077 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbTc2 _chemical_formula_sum 'Na1 Nb1 Tc2' _cell_volume 64.76173047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 3.18734800 3.18734800 3.18734800 1 Tc Tc2 1 1.59367400 1.59367400 1.59367400 1 Tc Tc3 1 4.78102200 4.78102200 4.78102200 1 [/CIF]
NaNbTc2
Fm-3m
225
cubic
m-3m
8,043.721158
false
[CIF] data_NaCu2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61238774 _cell_length_b 3.61238774 _cell_length_c 6.28520170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.16241189 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCu2Bi _chemical_formula_sum 'Na1 Cu2 Bi1' _cell_volume 81.95936045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 3.14260085 1 Cu Cu1 1 2.50568993 0.00000000 4.65371098 1 Cu Cu2 1 2.50568993 0.00000000 1.63149072 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCu2Na
Cmmm
65
orthorhombic
mmm
7,274.785407
false
[CIF] data_Sr4TlGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05974384 _cell_length_b 7.05974384 _cell_length_c 7.05974384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4TlGe _chemical_formula_sum 'Sr4 Tl1 Ge1' _cell_volume 248.80083346 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 6.24572822 6.24572822 3.73825726 1 Sr Sr2 1 6.24572822 3.73825726 6.24572822 1 Sr Sr3 1 3.73825726 6.24572822 6.24572822 1 Sr Sr4 1 3.73825726 3.73825726 3.73825726 1 Tl Tl5 1 7.48798911 7.48798911 7.48798911 1 [/CIF]
GeSr4Tl
F-43m
216
cubic
-43m
4,188.06372
false
[CIF] data_MgVCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62394001 _cell_length_b 4.14517800 _cell_length_c 5.33398802 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.22134230 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVCr2 _chemical_formula_sum 'Mg1 V1 Cr2' _cell_volume 56.90706842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.14774898 2.07258900 3.63040534 1 Cr Cr1 1 1.73369632 2.07258900 1.60161142 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.79297367 0.00000000 2.61600838 1 [/CIF]
Cr2MgV
P2/m
10
monoclinic
2/m
5,230.156321
false
[CIF] data_CaCrCoAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56476546 _cell_length_b 4.56476546 _cell_length_c 4.56476546 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCrCoAg _chemical_formula_sum 'Ca1 Cr1 Co1 Ag1' _cell_volume 67.25745135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61388831 1.61388831 1.61388830 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 4.84166492 4.84166492 4.84166492 1 Cr Cr3 1 3.22777661 3.22777661 3.22777661 1 [/CIF]
AgCaCoCr
F-43m
216
cubic
-43m
6,391.4535
false
[CIF] data_Ca2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93424425 _cell_length_b 6.93424425 _cell_length_c 6.93424425 _cell_angle_alpha 151.95128164 _cell_angle_beta 151.95128164 _cell_angle_gamma 40.08445170 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2B _chemical_formula_sum 'Ca2 B1' _cell_volume 73.57947661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 -0.00000000 0.00000000 8.04588551 1 Ca Ca2 1 -0.00000000 0.00000000 4.98273153 1 [/CIF]
BCa2
I4/mmm
139
tetragonal
4/mmm
2,052.940094
false
[CIF] data_ZrP2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10163649 _cell_length_b 7.10163649 _cell_length_c 7.10163649 _cell_angle_alpha 29.18949503 _cell_angle_beta 29.18949503 _cell_angle_gamma 29.18949503 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrP2Se _chemical_formula_sum 'Zr1 P2 Se1' _cell_volume 75.36882804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 15.27409949 1 P P1 1 -0.00000000 0.00000000 5.10904357 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 -0.00000000 10.19157153 1 [/CIF]
P2SeZr
R-3m
166
trigonal
-3m
5,114.361924
false
[CIF] data_YHfZrNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07050130 _cell_length_b 5.07050130 _cell_length_c 5.07050130 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfZrNb _chemical_formula_sum 'Y1 Hf1 Zr1 Nb1' _cell_volume 92.18021064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79269293 1.79269293 1.79269293 1 Nb Nb1 1 5.37807878 5.37807878 5.37807878 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.58538585 3.58538585 3.58538585 1 [/CIF]
HfNbYZr
F-43m
216
cubic
-43m
8,133.816785
false
[CIF] data_NaAl2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04809491 _cell_length_b 5.04809491 _cell_length_c 5.04809491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAl2Sn _chemical_formula_sum 'Na1 Al2 Sn1' _cell_volume 90.96357821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78477107 1.78477107 1.78477107 1 Al Al1 1 5.35431321 5.35431321 5.35431321 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.56954214 3.56954214 3.56954214 1 [/CIF]
Al2NaSn
Fm-3m
225
cubic
m-3m
3,571.822996
false
[CIF] data_Cs3Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07011870 _cell_length_b 7.07011870 _cell_length_c 7.07011870 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3Fe _chemical_formula_sum 'Cs3 Fe1' _cell_volume 249.89934551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.49966444 2.49966444 2.49966444 1 Cs Cs1 1 4.99932888 4.99932888 4.99932888 1 Cs Cs2 1 7.49899332 7.49899332 7.49899332 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs3Fe
Fm-3m
225
cubic
m-3m
3,020.483658
false
[CIF] data_KMgAgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14197933 _cell_length_b 5.14197933 _cell_length_c 5.14197933 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgAgW _chemical_formula_sum 'K1 Mg1 Ag1 W1' _cell_volume 96.13377146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.45389268 5.45389268 5.45389268 1 K K1 1 3.63592845 3.63592845 3.63592845 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.81796423 1.81796423 1.81796423 1 [/CIF]
AgKMgW
F-43m
216
cubic
-43m
6,133.916414
false
[CIF] data_TaTeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22069086 _cell_length_b 3.22069086 _cell_length_c 8.57902239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTeCl2 _chemical_formula_sum 'Ta1 Te1 Cl2' _cell_volume 88.98890910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61034543 1.61034543 8.52338125 1 Cl Cl1 1 0.00000000 0.00000000 2.67183495 1 Ta Ta2 1 1.61034543 1.61034543 4.22188371 1 Te Te3 1 0.00000000 0.00000000 6.03045607 1 [/CIF]
Cl2TaTe
P4mm
99
tetragonal
4mm
7,080.635082
false
[CIF] data_CaIn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99439702 _cell_length_b 4.99439702 _cell_length_c 4.99439702 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIn2Mo _chemical_formula_sum 'Ca1 In2 Mo1' _cell_volume 88.09153756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29735800 5.29735800 5.29735800 1 In In2 1 1.76578600 1.76578600 1.76578600 1 Mo Mo3 1 3.53157200 3.53157200 3.53157200 1 [/CIF]
CaIn2Mo
Fm-3m
225
cubic
m-3m
6,893.011287
false
[CIF] data_CaTcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79884334 _cell_length_b 4.79884334 _cell_length_c 4.79884334 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTcPb _chemical_formula_sum 'Ca1 Tc1 Pb1' _cell_volume 78.14383492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.69664733 1.69664733 1.69664733 1 Tc Tc2 1 3.39329467 3.39329467 3.39329467 1 [/CIF]
CaPbTc
F-43m
216
cubic
-43m
7,356.337054
false
[CIF] data_Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89877530 _cell_length_b 2.89877530 _cell_length_c 2.89877530 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga _chemical_formula_sum Ga1 _cell_volume 17.22378745 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Ga
Fm-3m
225
cubic
m-3m
6,721.969003
false
[CIF] data_Ca2TlIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50898492 _cell_length_b 5.50898492 _cell_length_c 5.50898492 _cell_angle_alpha 120.65477426 _cell_angle_beta 120.65477426 _cell_angle_gamma 88.86959040 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TlIn _chemical_formula_sum 'Ca2 Tl1 In1' _cell_volume 117.02765495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.72718668 1.96683887 1 Ca Ca1 1 2.72718668 0.00000000 1.96683887 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.93367773 1 [/CIF]
Ca2InTl
I4/mmm
139
tetragonal
4/mmm
5,666.59563
false
[CIF] data_ZnIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24072846 _cell_length_b 5.24072846 _cell_length_c 5.24072846 _cell_angle_alpha 148.94728070 _cell_angle_beta 128.06151706 _cell_angle_gamma 61.75776851 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnIr3 _chemical_formula_sum 'Zn1 Ir3' _cell_volume 57.92060898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 -0.00000000 2.29485513 2.33980672 1 Ir Ir1 1 1.40284699 -0.00000000 2.15807001 1 Ir Ir2 1 -0.00000000 -0.00000000 4.49787673 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir3Zn
Immm
71
orthorhombic
mmm
18,406.532257
false
[CIF] data_MnNbTlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87200012 _cell_length_b 4.87200012 _cell_length_c 4.87200012 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbTlSn _chemical_formula_sum 'Mn1 Nb1 Tl1 Sn1' _cell_volume 81.77242404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 -0.00000000 0.00000000 1 Nb Nb1 1 5.16753648 5.16753648 5.16753648 1 Sn Sn2 1 1.72251216 1.72251216 1.72251216 1 Tl Tl3 1 3.44502432 3.44502432 3.44502432 1 [/CIF]
MnNbSnTl
F-43m
216
cubic
-43m
9,563.254354
false
[CIF] data_LiOs2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86878525 _cell_length_b 4.59733480 _cell_length_c 5.14012705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.09789948 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiOs2Pb _chemical_formula_sum 'Li1 Os2 Pb1' _cell_volume 67.79183531 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 2.11176901 2.29866740 1.05308456 1 Os Os2 1 0.74823347 2.29866740 4.08703499 1 Pb Pb3 1 1.43000124 0.00000000 2.57005977 1 [/CIF]
LiOs2Pb
P2/m
10
monoclinic
2/m
14,564.559065
false
[CIF] data_AlVTcSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48008232 _cell_length_b 4.48008232 _cell_length_c 4.48008232 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVTcSn _chemical_formula_sum 'Al1 V1 Tc1 Sn1' _cell_volume 63.58328839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 4.75184489 4.75184489 4.75184489 1 Tc Tc2 1 3.16789659 3.16789659 3.16789659 1 V V3 1 1.58394829 1.58394829 1.58394829 1 [/CIF]
AlSnTcV
F-43m
216
cubic
-43m
7,718.293027
false
[CIF] data_ScReCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.58261780 _cell_length_b 10.58261780 _cell_length_c 10.58261780 _cell_angle_alpha 16.52636112 _cell_angle_beta 16.52636112 _cell_angle_gamma 16.52636112 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReCl2 _chemical_formula_sum 'Sc1 Re1 Cl2' _cell_volume 83.62609076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 22.62675619 1 Cl Cl1 1 -0.00000000 -0.00000000 8.68086604 1 Re Re2 1 0.00000000 -0.00000000 15.65381111 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2ReSc
R-3m
166
trigonal
-3m
5,998.094905
false
[CIF] data_FeB2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87805050 _cell_length_b 2.87805050 _cell_length_c 6.16168610 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeB2Sb _chemical_formula_sum 'Fe1 B2 Sb1' _cell_volume 51.03832229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.43406984 1 B B1 1 1.43902525 1.43902525 1.71016507 1 Fe Fe2 1 0.00000000 0.00000000 2.23760460 1 Sb Sb3 1 1.43902525 1.43902525 4.86068958 1 [/CIF]
B2FeSb
P4mm
99
tetragonal
4mm
6,481.878748
false
[CIF] data_ZnAgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06578386 _cell_length_b 5.06578386 _cell_length_c 5.06578386 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAgBr2 _chemical_formula_sum 'Zn1 Ag1 Br2' _cell_volume 91.92316506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58205012 3.58205012 3.58205012 1 Br Br1 1 5.37307518 5.37307518 5.37307518 1 Br Br2 1 1.79102506 1.79102506 1.79102506 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBr2Zn
Fm-3m
225
cubic
m-3m
6,016.47116
false
[CIF] data_DyMg2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98671774 _cell_length_b 4.98671774 _cell_length_c 4.98671774 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyMg2Ga _chemical_formula_sum 'Dy1 Mg2 Ga1' _cell_volume 87.68581922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 3.52614193 3.52614193 3.52614193 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 5.28921290 5.28921290 5.28921290 1 Mg Mg3 1 1.76307097 1.76307097 1.76307097 1 [/CIF]
DyGaMg2
Fm-3m
225
cubic
m-3m
5,318.239276
false
[CIF] data_Sc2FeGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47370125 _cell_length_b 4.47370125 _cell_length_c 4.47370125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2FeGe _chemical_formula_sum 'Sc2 Fe1 Ge1' _cell_volume 63.31198624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16338449 3.16338449 3.16338449 1 Ge Ge1 1 4.74507673 4.74507673 4.74507673 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 1.58169224 1.58169224 1.58169225 1 [/CIF]
FeGeSc2
F-43m
216
cubic
-43m
5,728.085309
false
[CIF] data_NaY2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66054045 _cell_length_b 5.66054045 _cell_length_c 3.53229015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaY2Br _chemical_formula_sum 'Na1 Y2 Br1' _cell_volume 113.18064554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.83027023 2.83027023 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 0.00000000 2.83027023 1.76614508 1 Y Y3 1 2.83027023 0.00000000 1.76614508 1 [/CIF]
BrNaY2
P4/mmm
123
tetragonal
4/mmm
4,118.393173
false
[CIF] data_SrYBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64184175 _cell_length_b 4.12946381 _cell_length_c 8.45469763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYBi2 _chemical_formula_sum 'Sr1 Y1 Bi2' _cell_volume 127.14896081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82092088 2.06473190 6.13627759 1 Bi Bi1 1 1.82092088 2.06473190 2.31842004 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 4.22734881 1 [/CIF]
Bi2SrY
Pmmm
47
orthorhombic
mmm
7,763.872395
false
[CIF] data_YTaMnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74340869 _cell_length_b 4.74340869 _cell_length_c 4.74340869 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaMnAu _chemical_formula_sum 'Y1 Ta1 Mn1 Au1' _cell_volume 75.46692189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67704823 1.67704823 1.67704823 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 3.35409645 3.35409645 3.35409645 1 Y Y3 1 5.03114468 5.03114468 5.03114468 1 [/CIF]
AuMnTaY
F-43m
216
cubic
-43m
11,480.528048
false
[CIF] data_PrNdHf2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35988920 _cell_length_b 5.35988920 _cell_length_c 5.35988920 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrNdHf2 _chemical_formula_sum 'Pr1 Nd1 Hf2' _cell_volume 108.88108459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89500700 1.89500700 1.89500700 1 Hf Hf1 1 5.68502100 5.68502100 5.68502100 1 Nd Nd2 1 3.79001400 3.79001400 3.79001400 1 Pr Pr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2NdPr
Fm-3m
225
cubic
m-3m
9,793.081816
false
[CIF] data_NaF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42101560 _cell_length_b 3.42101560 _cell_length_c 3.42101560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaF _chemical_formula_sum 'Na1 F1' _cell_volume 28.31067123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 2.41902333 2.41902333 2.41902333 1 [/CIF]
F4Na4
Fm-3m
225
cubic
m-3m
2,462.78162
false
[CIF] data_TiAlCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29959819 _cell_length_b 5.29959819 _cell_length_c 5.70499263 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.12722897 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlCu2 _chemical_formula_sum 'Ti2 Al2 Cu4' _cell_volume 115.01161502 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.06530041 -1.90045261 4.27874447 1 Al Al1 1 2.06530041 1.90045261 1.42624816 1 Cu Cu2 1 2.06530041 -3.69806605 0.20916112 1 Cu Cu3 1 2.06530041 3.69806605 3.06165743 1 Cu Cu4 1 2.06530041 -3.69806605 2.64333520 1 Cu Cu5 1 2.06530041 3.69806605 5.49583151 1 Ti Ti6 1 2.06530041 -0.82071773 1.42624816 1 Ti Ti7 1 2.06530041 0.82071773 4.27874447 1 [/CIF]
Al2Cu4Ti2
Cmcm
63
orthorhombic
mmm
5,831.2398
false
[CIF] data_MgZrTlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28330662 _cell_length_b 5.28330662 _cell_length_c 5.28330662 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrTlPb _chemical_formula_sum 'Mg1 Zr1 Tl1 Pb1' _cell_volume 104.28034294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 5.60379291 5.60379291 5.60379291 1 Tl Tl2 1 3.73586194 3.73586194 3.73586194 1 Zr Zr3 1 1.86793097 1.86793097 1.86793097 1 [/CIF]
MgPbTlZr
F-43m
216
cubic
-43m
8,393.629537
false
[CIF] data_Sc22Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.69516690 _cell_length_b 11.69516690 _cell_length_c 11.69516690 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Cu _chemical_formula_sum 'Sc44 Cu2' _cell_volume 1131.10851992 _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 4.13486591 4.13486591 4.13486591 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 9.12842918 11.32771747 5.21174617 1 Sc Sc3 1 9.12842918 5.21174617 11.32771747 1 Sc Sc4 1 7.41103446 5.21174617 5.21174617 1 Sc Sc5 1 7.41103446 11.32771747 11.32771747 1 Sc Sc6 1 5.21174617 7.41103446 5.21174617 1 Sc Sc7 1 11.32771747 7.41103446 11.32771747 1 Sc Sc8 1 5.21174617 9.12842918 11.32771747 1 Sc Sc9 1 11.32771747 9.12842918 5.21174617 1 Sc Sc10 1 5.21174617 11.32771747 9.12842918 1 Sc Sc11 1 11.32771747 5.21174617 9.12842918 1 Sc Sc12 1 11.32771747 11.32771747 7.41103446 1 Sc Sc13 1 5.21174617 5.21174617 7.41103446 1 Sc Sc14 1 3.27616855 7.19285156 9.34661208 1 Sc Sc15 1 3.27616855 9.34661208 7.19285156 1 Sc Sc16 1 13.26329509 7.19285156 7.19285156 1 Sc Sc17 1 13.26329509 9.34661208 9.34661208 1 Sc Sc18 1 7.19285156 7.19285156 13.26329509 1 Sc Sc19 1 9.34661208 9.34661208 13.26329509 1 Sc Sc20 1 7.19285156 9.34661208 3.27616855 1 Sc Sc21 1 9.34661208 7.19285156 3.27616855 1 Sc Sc22 1 7.19285156 3.27616855 9.34661208 1 Sc Sc23 1 9.34661208 3.27616855 7.19285156 1 Sc Sc24 1 9.34661208 13.26329509 9.34661208 1 Sc Sc25 1 7.19285156 13.26329509 7.19285156 1 Sc Sc26 1 12.40459773 10.12646789 12.40459773 1 Sc Sc27 1 12.40459773 14.68272757 12.40459773 1 Sc Sc28 1 12.40459773 12.40459773 14.68272757 1 Sc Sc29 1 12.40459773 12.40459773 10.12646789 1 Sc Sc30 1 14.68272757 12.40459773 12.40459773 1 Sc Sc31 1 10.12646789 12.40459773 12.40459773 1 Sc Sc32 1 8.26973182 8.26973182 10.54786166 1 Sc Sc33 1 8.26973182 8.26973182 5.99160198 1 Sc Sc34 1 8.26973182 5.99160198 8.26973182 1 Sc Sc35 1 8.26973182 10.54786166 8.26973182 1 Sc Sc36 1 5.99160198 8.26973182 8.26973182 1 Sc Sc37 1 10.54786166 8.26973182 8.26973182 1 Sc Sc38 1 6.20229886 2.06743296 6.20229886 1 Sc Sc39 1 6.20229886 6.20229887 2.06743296 1 Sc Sc40 1 2.06743296 6.20229886 6.20229886 1 Sc Sc41 1 2.06743296 2.06743296 2.06743296 1 Sc Sc42 1 6.20229887 10.33716478 6.20229886 1 Sc Sc43 1 6.20229886 6.20229886 10.33716478 1 Sc Sc44 1 10.33716478 6.20229887 6.20229886 1 Sc Sc45 1 10.33716478 10.33716478 10.33716478 1 [/CIF]
Cu2Sc44
Fd-3m
227
cubic
m-3m
3,090.496878
true
[CIF] data_Be2TlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04236188 _cell_length_b 4.04236188 _cell_length_c 4.46077528 _cell_angle_alpha 102.45386215 _cell_angle_beta 102.45386215 _cell_angle_gamma 50.64830544 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TlCo _chemical_formula_sum 'Be2 Tl1 Co1' _cell_volume 54.73752210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.21735046 0.00000000 3.97888124 1 Be Be1 1 5.02619655 -0.00000000 0.35307911 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.12177351 0.00000000 2.16598018 1 [/CIF]
Be2CoTl
C2/m
12
monoclinic
2/m
8,534.8673
false
[CIF] data_LiTaMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80786250 _cell_length_b 4.80786250 _cell_length_c 4.80786250 _cell_angle_alpha 143.38177779 _cell_angle_beta 128.24795798 _cell_angle_gamma 65.05843128 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaMn2 _chemical_formula_sum 'Li1 Ta1 Mn2' _cell_volume 51.38566881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 -0.00000000 2.09827271 1.99630797 1 Mn Mn2 1 1.51035841 0.00000000 2.05728438 1 Ta Ta3 1 0.00000000 0.00000000 4.05359235 1 [/CIF]
LiMn2Ta
Immm
71
orthorhombic
mmm
9,622.339785
false
[CIF] data_GaPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86700488 _cell_length_b 2.86700488 _cell_length_c 6.30126611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPtRh _chemical_formula_sum 'Ga1 Pt1 Rh1' _cell_volume 44.85546024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 6.26338315 1 Pt Pt1 1 1.43350244 0.82763302 1.99811258 1 Rh Rh2 1 0.00000000 1.65526604 4.34103649 1 [/CIF]
GaPtRh
P3m1
156
trigonal
3m
13,612.63419
false
[CIF] data_ErFeC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56590300 _cell_length_b 3.72088224 _cell_length_c 3.72088224 _cell_angle_alpha 75.09977426 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErFeC2 _chemical_formula_sum 'Er1 Fe1 C2' _cell_volume 47.70974471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 1.78295150 0.00000000 0.02923451 1 Fe Fe1 1 0.00000000 -0.00000000 3.61855973 1 C C2 1 0.00000000 0.70246965 1.76035410 1 C C3 1 0.00000000 -0.70246965 1.76035410 1 [/CIF]
C2ErFe
Amm2
38
orthorhombic
mm2
8,601.206809
false
[CIF] data_EuOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92097449 _cell_length_b 6.92097449 _cell_length_c 6.92097449 _cell_angle_alpha 33.21120743 _cell_angle_beta 33.21120743 _cell_angle_gamma 33.21120743 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuOF _chemical_formula_sum 'Eu2 O2 F2' _cell_volume 88.53740416 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 0.00000000 0.00000000 5.05016569 1 Eu Eu1 1 -0.00000000 -0.00000000 14.54969089 1 O O2 1 -0.00000000 -0.00000000 7.38184897 1 O O3 1 -0.00000000 0.00000000 12.21800761 1 F F4 1 -0.00000000 -0.00000000 2.52162667 1 F F5 1 0.00000000 -0.00000000 17.07822991 1 [/CIF]
Eu2F2O2
R-3m
166
trigonal
-3m
7,013.021645
false
[CIF] data_HgTeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93904236 _cell_length_b 2.93904236 _cell_length_c 9.72095485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.84716473 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgTeW2 _chemical_formula_sum 'Hg1 Te1 W2' _cell_volume 77.38140666 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 4.86047742 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.62543350 0.00000000 2.42541780 1 W W3 1 1.62543350 0.00000000 7.29553705 1 [/CIF]
HgTeW2
Cmmm
65
orthorhombic
mmm
14,932.777397
false
[CIF] data_SrNbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30968168 _cell_length_b 3.30968168 _cell_length_c 7.48029994 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbZn _chemical_formula_sum 'Sr1 Nb1 Zn1' _cell_volume 70.96138695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65484086 0.95542279 7.22914102 1 Sr Sr1 1 0.00000002 1.91084560 2.51791781 1 Zn Zn2 1 0.00000000 0.00000000 5.21354098 1 [/CIF]
NbSrZn
P3m1
156
trigonal
3m
5,754.356954
false
[CIF] data_MnSbP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02915621 _cell_length_b 3.02915621 _cell_length_c 7.02985148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.49001127 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSbP2 _chemical_formula_sum 'Mn1 Sb1 P2' _cell_volume 64.48261139 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 2.11390543 0.00000000 1.19011920 1 P P2 1 2.11390543 0.00000000 5.83973228 1 Sb Sb3 1 0.00000000 0.00000000 3.51492574 1 [/CIF]
MnP2Sb
Cmmm
65
orthorhombic
mmm
6,145.537252
false
[CIF] data_TeMo4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26956518 _cell_length_b 5.26956518 _cell_length_c 5.26956518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeMo4Ir _chemical_formula_sum 'Te1 Mo4 Ir1' _cell_volume 103.46878359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.58921791 5.58921791 5.58921791 1 Mo Mo1 1 4.65521741 2.79707313 4.65521741 1 Mo Mo2 1 2.79707313 4.65521741 4.65521741 1 Mo Mo3 1 2.79707313 2.79707313 2.79707313 1 Mo Mo4 1 4.65521741 4.65521741 2.79707313 1 Te Te5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMo4Te
F-43m
216
cubic
-43m
11,292.777371
false
[CIF] data_ScFeRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49462443 _cell_length_b 4.49462443 _cell_length_c 4.49462443 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeRhAu _chemical_formula_sum 'Sc1 Fe1 Rh1 Au1' _cell_volume 64.20446402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.17817941 3.17817941 3.17817941 1 Fe Fe1 1 1.58908971 1.58908971 1.58908971 1 Rh Rh2 1 4.76726912 4.76726912 4.76726912 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuFeRhSc
F-43m
216
cubic
-43m
10,362.723963
false
[CIF] data_Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06517340 _cell_length_b 4.06517340 _cell_length_c 4.38902406 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te _chemical_formula_sum Te2 _cell_volume 62.81404250 _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 Te Te0 1 0.00000000 2.34702896 1.09725601 1 Te Te1 1 2.03258670 1.17351448 3.29176804 1 [/CIF]
Te2
P6_3/mmc
194
hexagonal
6/mmm
6,746.41454
false
[CIF] data_SrReAgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87057581 _cell_length_b 4.87057581 _cell_length_c 4.87057581 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrReAgPt _chemical_formula_sum 'Sr1 Re1 Ag1 Pt1' _cell_volume 81.70072742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.44401718 3.44401718 3.44401718 1 Pt Pt1 1 1.72200859 1.72200859 1.72200859 1 Re Re2 1 5.16602577 5.16602577 5.16602577 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgPtReSr
F-43m
216
cubic
-43m
11,722.838029
false
[CIF] data_LiYW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84910352 _cell_length_b 5.09696154 _cell_length_c 5.12596523 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.98914930 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYW2 _chemical_formula_sum 'Li1 Y1 W2' _cell_volume 73.71562771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 2.20996826 2.54848077 1.25738290 1 W W2 1 -0.07329989 2.54848077 3.81883180 1 Y Y3 1 1.06833418 0.00000000 2.53810735 1 [/CIF]
LiW2Y
P2/m
10
monoclinic
2/m
10,441.536846
false
[CIF] data_Ca2LaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66443180 _cell_length_b 5.66443180 _cell_length_c 5.66443180 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2LaSn _chemical_formula_sum 'Ca2 La1 Sn1' _cell_volume 128.51507078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 6.00803721 6.00803721 6.00803721 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 2.00267907 2.00267907 2.00267907 1 Sn Sn3 1 4.00535814 4.00535814 4.00535814 1 [/CIF]
Ca2LaSn
F-43m
216
cubic
-43m
4,364.334223
false
[CIF] data_Hf2SiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60470114 _cell_length_b 5.60470114 _cell_length_c 4.83393011 _cell_angle_alpha 113.46857936 _cell_angle_beta 113.46857936 _cell_angle_gamma 32.38700865 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SiAg _chemical_formula_sum 'Hf2 Si1 Ag1' _cell_volume 74.01097554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.81541422 0.00000000 1.12629321 1 Hf Hf1 1 0.01367673 0.00000000 0.05957897 1 Hf Hf2 1 1.08500604 0.00000000 3.16659856 1 Si Si3 1 4.22597205 0.00000000 2.24554349 1 [/CIF]
AgHf2Si
Cm
8
monoclinic
m
11,059.652438
false
[CIF] data_LiZnBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68957422 _cell_length_b 4.68957422 _cell_length_c 4.68957422 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnBiPd _chemical_formula_sum 'Li1 Zn1 Bi1 Pd1' _cell_volume 72.92647845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97404459 4.97404460 4.97404460 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.31602973 3.31602973 3.31602973 1 Zn Zn3 1 1.65801486 1.65801486 1.65801486 1 [/CIF]
BiLiPdZn
F-43m
216
cubic
-43m
8,828.433037
false
[CIF] data_AgTe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86237431 _cell_length_b 4.86237431 _cell_length_c 4.86237431 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgTe2Os _chemical_formula_sum 'Ag1 Te2 Os1' _cell_volume 81.28869804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.43821785 3.43821785 3.43821785 1 Te Te2 1 1.71910892 1.71910892 1.71910893 1 Te Te3 1 5.15732678 5.15732678 5.15732678 1 [/CIF]
AgOsTe2
Fm-3m
225
cubic
m-3m
11,302.595548
false
[CIF] data_NaVOsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38170193 _cell_length_b 4.38170193 _cell_length_c 4.38170193 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaVOsRh _chemical_formula_sum 'Na1 V1 Os1 Rh1' _cell_volume 59.48582590 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.09833115 3.09833115 3.09833115 1 Rh Rh2 1 1.54916558 1.54916558 1.54916558 1 V V3 1 4.64749673 4.64749673 4.64749672 1 [/CIF]
NaOsRhV
F-43m
216
cubic
-43m
10,246.620959
false
[CIF] data_SrMgMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11960064 _cell_length_b 3.11960064 _cell_length_c 8.05616984 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgMn2 _chemical_formula_sum 'Sr1 Mg1 Mn2' _cell_volume 78.40190495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 6.63170101 1 Mn Mn1 1 1.55980032 1.55980032 0.47345160 1 Mn Mn2 1 0.00000000 0.00000000 1.26837047 1 Sr Sr3 1 1.55980032 1.55980032 3.71073169 1 [/CIF]
MgMn2Sr
P4mm
99
tetragonal
4mm
4,697.734427
false
[CIF] data_CaPdRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94736672 _cell_length_b 4.94736672 _cell_length_c 4.94736672 _cell_angle_alpha 130.95922268 _cell_angle_beta 130.95922268 _cell_angle_gamma 71.87787365 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPdRh2 _chemical_formula_sum 'Ca1 Pd1 Rh2' _cell_volume 67.54725066 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.05324142 0.00000000 2.00280034 1 Rh Rh2 1 0.00000000 -0.00000000 4.00560068 1 Rh Rh3 1 -0.00000000 2.05324142 2.00280034 1 [/CIF]
CaPdRh2
I-4m2
119
tetragonal
-42m
8,660.94256
false