Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_ZrBeFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87293889 _cell_length_b 4.87293889 _cell_length_c 4.87293889 _cell_angle_alpha 143.70723740 _cell_angle_beta 143.70723740 _cell_angle_gamma 52.26530018 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBeFe _chemical_formula_sum 'Zr1 Be1 Fe1' _cell_volume 40.30566784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.30710072 1 Fe Fe1 1 0.00000000 0.00000000 5.51185465 1 Zr Zr2 1 0.00000000 -0.00000000 2.93066691 1 [/CIF]
BeFeZr
I4mm
107
tetragonal
4mm
6,430.33707
false
[CIF] data_HfVCuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40507139 _cell_length_b 4.40507139 _cell_length_c 4.40507139 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVCuTc _chemical_formula_sum 'Hf1 V1 Cu1 Tc1' _cell_volume 60.44269982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11485585 3.11485585 3.11485585 1 Hf Hf1 1 4.67228378 4.67228378 4.67228378 1 Tc Tc2 1 1.55742793 1.55742793 1.55742793 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuHfTcV
F-43m
216
cubic
-43m
10,766.199977
false
[CIF] data_GeTe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82244764 _cell_length_b 3.82244764 _cell_length_c 7.77845978 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeTe2Pb _chemical_formula_sum 'Ge1 Te2 Pb1' _cell_volume 113.65190006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 0.00000000 3.88922989 1 Te Te2 1 1.91122382 1.91122382 6.00954787 1 Te Te3 1 1.91122382 1.91122382 1.76891191 1 [/CIF]
GePbTe2
P4/mmm
123
tetragonal
4/mmm
7,817.333646
false
[CIF] data_KZnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73534363 _cell_length_b 3.73534363 _cell_length_c 6.85299153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnSe2 _chemical_formula_sum 'K1 Zn1 Se2' _cell_volume 95.61836563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 1.86767182 1.86767182 2.04717333 1 Se Se2 1 1.86767182 1.86767182 4.80581820 1 Zn Zn3 1 0.00000000 0.00000000 3.42649576 1 [/CIF]
KSe2Zn
P4/mmm
123
tetragonal
4/mmm
4,556.892656
false
[CIF] data_Sr2BP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13343907 _cell_length_b 5.13343907 _cell_length_c 5.13343907 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BP _chemical_formula_sum 'Sr2 B1 P1' _cell_volume 95.65556436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 3.62988958 3.62988958 3.62988958 1 Sr Sr2 1 1.81494479 1.81494479 1.81494479 1 Sr Sr3 1 5.44483437 5.44483437 5.44483437 1 [/CIF]
BPSr2
Fm-3m
225
cubic
m-3m
3,767.567353
false
[CIF] data_AlAuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22497961 _cell_length_b 6.22497961 _cell_length_c 6.31033847 _cell_angle_alpha 117.08215574 _cell_angle_beta 117.08215574 _cell_angle_gamma 28.67793344 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAuCl2 _chemical_formula_sum 'Al1 Au1 Cl2' _cell_volume 103.58274180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85970435 0.00000000 2.04618840 1 Au Au1 1 0.09331049 0.00000000 3.64937174 1 Cl Cl2 1 11.61495397 0.00000000 0.40149008 1 Cl Cl3 1 9.13940921 0.00000000 2.25830731 1 [/CIF]
AlAuCl2
Cm
8
monoclinic
m
4,726.817963
false
[CIF] data_CoTeRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14335462 _cell_length_b 5.14335462 _cell_length_c 5.14335462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTeRu4 _chemical_formula_sum 'Co1 Te1 Ru4' _cell_volume 96.21092907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.55166936 4.55166936 2.72213250 1 Ru Ru2 1 4.55166936 2.72213250 4.55166936 1 Ru Ru3 1 2.72213250 4.55166936 4.55166936 1 Ru Ru4 1 2.72213250 2.72213250 2.72213250 1 Te Te5 1 5.45535140 5.45535140 5.45535140 1 [/CIF]
CoRu4Te
F-43m
216
cubic
-43m
10,197.057661
false
[CIF] data_KZrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27749667 _cell_length_b 5.27749667 _cell_length_c 5.27749667 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrBi _chemical_formula_sum 'K1 Zr1 Bi1' _cell_volume 103.93669548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.73175368 3.73175368 3.73175368 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.59763052 5.59763052 5.59763052 1 [/CIF]
BiKZr
F-43m
216
cubic
-43m
5,420.851472
false
[CIF] data_TaZnCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63021205 _cell_length_b 4.63021205 _cell_length_c 4.63021205 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnCuSn _chemical_formula_sum 'Ta1 Zn1 Cu1 Sn1' _cell_volume 70.19200455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.27405434 3.27405434 3.27405434 1 Ta Ta2 1 1.63702717 1.63702717 1.63702717 1 Zn Zn3 1 4.91108151 4.91108151 4.91108151 1 [/CIF]
CuSnTaZn
F-43m
216
cubic
-43m
10,139.05046
false
[CIF] data_ZrGaPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54283688 _cell_length_b 4.21872264 _cell_length_c 6.59595486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGaPb2 _chemical_formula_sum 'Zr1 Ga1 Pb2' _cell_volume 98.58476497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72224915 1 Pb Pb1 1 1.77141844 2.10936132 6.51454791 1 Pb Pb2 1 0.00000000 0.00000000 1.78357001 1 Zr Zr3 1 1.77141844 2.10936132 3.46952014 1 [/CIF]
GaPb2Zr
Pmm2
25
orthorhombic
mm2
9,691.012305
false
[CIF] data_LiMnBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53041887 _cell_length_b 3.53041887 _cell_length_c 2.99427765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnBe2 _chemical_formula_sum 'Li1 Mn1 Be2' _cell_volume 37.32024964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76520944 0.00000000 1.49713882 1 Be Be1 1 0.00000000 1.76520944 1.49713882 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 1.76520944 1.76520944 0.00000000 1 [/CIF]
Be2LiMn
P4/mmm
123
tetragonal
4/mmm
3,555.247714
false
[CIF] data_La2NbCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23843299 _cell_length_b 4.68124938 _cell_length_c 5.81416851 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.35111369 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbCr _chemical_formula_sum 'La2 Nb1 Cr1' _cell_volume 87.75815228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.33767365 2.34062469 1.37466304 1 La La2 1 0.35853673 2.34062469 4.41416672 1 Nb Nb3 1 1.34810519 0.00000000 2.89441488 1 [/CIF]
CrLa2Nb
P2/m
10
monoclinic
2/m
7,998.483669
false
[CIF] data_CdBiRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88039599 _cell_length_b 4.88039599 _cell_length_c 4.88039599 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBiRuAu _chemical_formula_sum 'Cd1 Bi1 Ru1 Au1' _cell_volume 82.19590608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72548055 1.72548055 1.72548055 1 Bi Bi1 1 3.45096110 3.45096110 3.45096110 1 Cd Cd2 1 5.17644165 5.17644165 5.17644165 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBiCdRu
F-43m
216
cubic
-43m
12,513.814745
false
[CIF] data_BaSc2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.77419129 _cell_length_b 9.77419129 _cell_length_c 9.77419129 _cell_angle_alpha 22.40466666 _cell_angle_beta 22.40466666 _cell_angle_gamma 22.40466666 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSc2Se _chemical_formula_sum 'Ba1 Sc2 Se1' _cell_volume 118.97390427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 14.28762280 1 Sc Sc1 1 0.00000000 0.00000000 20.59504477 1 Sc Sc2 1 0.00000000 0.00000000 7.98020084 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaSc2Se
R-3m
166
trigonal
-3m
4,273.669193
false
[CIF] data_Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75754006 _cell_length_b 2.75754006 _cell_length_c 4.35841900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os _chemical_formula_sum Os2 _cell_volume 28.70141258 _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 Os Os0 1 -0.00000000 1.59206650 1.08960475 1 Os Os1 1 1.37877003 0.79603325 3.26881425 1 [/CIF]
Os2
P6_3/mmc
194
hexagonal
6/mmm
22,011.496679
false
[CIF] data_Zr4CrGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61253656 _cell_length_b 5.61253656 _cell_length_c 5.61253656 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4CrGe _chemical_formula_sum 'Zr4 Cr1 Ge1' _cell_volume 125.01512250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.98433133 1.98433133 1.98433133 1 Zr Zr2 1 2.96495435 2.96495435 4.97237097 1 Zr Zr3 1 2.96495435 4.97237097 2.96495435 1 Zr Zr4 1 4.97237097 2.96495435 2.96495435 1 Zr Zr5 1 4.97237097 4.97237097 4.97237097 1 [/CIF]
CrGeZr4
F-43m
216
cubic
-43m
6,502.310761
false
[CIF] data_ScReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31409845 _cell_length_b 4.31409845 _cell_length_c 4.31409845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReTc _chemical_formula_sum 'Sc1 Re1 Tc1' _cell_volume 56.77474050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52526413 1.52526413 1.52526413 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 3.05052827 3.05052827 3.05052827 1 [/CIF]
ReScTc
F-43m
216
cubic
-43m
9,653.811719
false
[CIF] data_Y3GaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35072719 _cell_length_b 5.35072719 _cell_length_c 5.35072719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3GaPt _chemical_formula_sum 'Y3 Ga1 Pt1' _cell_volume 153.19282548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 2.67536359 0.00000000 1 Y Y1 1 0.00000000 0.00000000 2.67536359 1 Y Y2 1 2.67536359 0.00000000 0.00000000 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 Pt Pt4 1 2.67536359 2.67536359 2.67536359 1 [/CIF]
GaPtY3
Pm-3m
221
cubic
m-3m
5,761.479217
false
[CIF] data_SrNb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78141666 _cell_length_b 5.78141666 _cell_length_c 2.75871828 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.54534247 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNb2Os _chemical_formula_sum 'Sr1 Nb2 Os1' _cell_volume 78.58341124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41146341 2.52269017 1.37935914 1 Nb Nb1 1 1.41146341 -2.52269017 1.37935914 1 Os Os2 1 2.82292681 -0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2OsSr
Cmmm
65
orthorhombic
mmm
9,797.616502
false
[CIF] data_NaCa2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10026953 _cell_length_b 4.10026953 _cell_length_c 7.66950556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCa2Te _chemical_formula_sum 'Na1 Ca2 Te1' _cell_volume 128.94133975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.05013477 2.05013477 5.61414502 1 Ca Ca1 1 2.05013477 2.05013477 2.05536054 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.83475278 1 [/CIF]
Ca2NaTe
P4/mmm
123
tetragonal
4/mmm
2,971.602165
false
[CIF] data_Si2BiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64758403 _cell_length_b 4.64758403 _cell_length_c 3.37540281 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2BiW _chemical_formula_sum 'Si2 Bi1 W1' _cell_volume 72.90882665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32379201 2.32379201 0.00000000 1 Si Si1 1 2.32379201 0.00000000 1.68770141 1 Si Si2 1 0.00000000 2.32379201 1.68770141 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiSi2W
P4/mmm
123
tetragonal
4/mmm
10,226.028788
false
[CIF] data_YGeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48065249 _cell_length_b 4.54419581 _cell_length_c 5.51818840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGeCl2 _chemical_formula_sum 'Y1 Ge1 Cl2' _cell_volume 87.27989721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Cl Cl1 1 1.74032625 0.00000000 2.75909420 1 Ge Ge2 1 1.74032625 2.27209790 0.00000000 1 Y Y3 1 0.00000000 2.27209790 2.75909420 1 [/CIF]
Cl2GeY
Pmmm
47
orthorhombic
mmm
4,422.500374
false
[CIF] data_NaYPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80583137 _cell_length_b 4.80583137 _cell_length_c 4.80583137 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYPd _chemical_formula_sum 'Na1 Y1 Pd1' _cell_volume 78.48570896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 1.69911798 1.69911798 1.69911798 1 Y Y2 1 3.39823595 3.39823595 3.39823595 1 [/CIF]
NaPdY
F-43m
216
cubic
-43m
4,618.950627
false
[CIF] data_TlReW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84912767 _cell_length_b 2.84912767 _cell_length_c 9.43103889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.69333303 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlReW2 _chemical_formula_sum 'Tl1 Re1 W2' _cell_volume 70.62993380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 0.00000000 0.00000000 4.71551944 1 W W2 1 1.57889148 0.00000000 7.28894486 1 W W3 1 1.57889148 0.00000000 2.14209403 1 [/CIF]
ReTlW2
Cmmm
65
orthorhombic
mmm
17,827.249559
false
[CIF] data_YZrZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45917687 _cell_length_b 3.45917687 _cell_length_c 6.89343276 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrZn2 _chemical_formula_sum 'Y1 Zr1 Zn2' _cell_volume 82.48615890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Zn Zn1 1 1.72958843 1.72958843 1.88271519 1 Zn Zn2 1 1.72958843 1.72958843 5.01071757 1 Zr Zr3 1 0.00000000 0.00000000 3.44671638 1 [/CIF]
YZn2Zr
P4/mmm
123
tetragonal
4/mmm
6,258.562021
false
[CIF] data_MnTlIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56338993 _cell_length_b 5.56338993 _cell_length_c 5.56338993 _cell_angle_alpha 150.94498651 _cell_angle_beta 130.30635999 _cell_angle_gamma 58.59875090 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlIr2 _chemical_formula_sum 'Mn1 Tl1 Ir2' _cell_volume 63.31210618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39554725 -0.00000000 2.15443515 1 Ir Ir1 1 0.00000000 2.33770165 2.69725594 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.85169109 1 [/CIF]
Ir2MnTl
Immm
71
orthorhombic
mmm
16,884.304823
false
[CIF] data_CdCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35647746 _cell_length_b 2.86590942 _cell_length_c 5.06191796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCo _chemical_formula_sum 'Cd2 Co2' _cell_volume 63.19941139 _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 Cd Cd0 1 3.26735809 1.43295471 3.40191714 1 Cd Cd1 1 1.08911936 1.43295471 1.66000082 1 Co Co2 1 3.26735809 0.00000000 0.62143825 1 Co Co3 1 1.08911936 0.00000000 4.44047971 1 [/CIF]
Cd2Co2
Pmma
51
orthorhombic
mmm
9,003.999353
false
[CIF] data_CdMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13416347 _cell_length_b 5.13416347 _cell_length_c 5.13416347 _cell_angle_alpha 147.65633727 _cell_angle_beta 136.15651445 _cell_angle_gamma 55.52204631 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdMoRh _chemical_formula_sum 'Cd1 Mo1 Rh1' _cell_volume 49.81055919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.06874258 1 Mo Mo1 1 -0.00000000 -0.00000000 6.21015437 1 Rh Rh2 1 -0.00000000 -0.00000000 2.89394785 1 [/CIF]
CdMoRh
Imm2
44
orthorhombic
mm2
10,377.05252
false
[CIF] data_Li4CrFe3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17216000 _cell_length_b 5.18489142 _cell_length_c 5.96628079 _cell_angle_alpha 73.24338656 _cell_angle_beta 89.98288698 _cell_angle_gamma 80.48924287 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4CrFe3O8 _chemical_formula_sum 'Li4 Cr1 Fe3 O8' _cell_volume 150.90863189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.31808070 2.77275169 0.71190184 1 Li Li1 1 1.71979485 3.21643221 2.13564848 1 Li Li2 1 4.31086115 3.64098479 3.57011052 1 Li Li3 1 1.71257530 4.08466531 4.99385716 1 Cr Cr4 1 0.00000000 0.00000000 0.00000000 1 Fe Fe5 1 3.44421424 5.54774775 1.42719862 1 Fe Fe6 1 0.00089100 0.87189700 2.85287950 1 Fe Fe7 1 2.58644176 1.30966925 4.27856038 1 O O8 1 5.17288007 4.47973314 1.74825597 1 O O9 1 0.85898721 1.49805903 1.09702346 1 O O10 1 2.58877209 4.90798621 3.18369941 1 O O11 1 3.44188391 1.94943079 2.52205959 1 O O12 1 5.17166879 5.35935797 4.60873554 1 O O13 1 0.85777593 2.37768386 3.95750303 1 O O14 1 2.57012317 4.04967748 0.32284326 1 O O15 1 3.46053283 2.80773952 5.38291574 1 [/CIF]
CrFe3Li4O8
P-1
2
triclinic
-1
4,129.546446
false
[CIF] data_CaLaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58011178 _cell_length_b 3.58011178 _cell_length_c 7.00276765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaTc2 _chemical_formula_sum 'Ca1 La1 Tc2' _cell_volume 89.75587603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 3.50138383 1 Tc Tc2 1 1.79005589 1.79005589 4.89566827 1 Tc Tc3 1 1.79005589 1.79005589 2.10709938 1 [/CIF]
CaLaTc2
P4/mmm
123
tetragonal
4/mmm
6,970.955997
false
[CIF] data_Sn2GeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40459806 _cell_length_b 5.33094096 _cell_length_c 5.76535796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2GeBr _chemical_formula_sum 'Sn2 Ge1 Br1' _cell_volume 104.63958223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70229903 0.00000000 2.88267898 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.66547048 2.88267898 1 Sn Sn3 1 1.70229903 2.66547048 0.00000000 1 [/CIF]
BrGeSn2
Pmmm
47
orthorhombic
mmm
6,188.389162
false
[CIF] data_Nb7Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86348615 _cell_length_b 5.86348615 _cell_length_c 5.86348615 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb7Cu _chemical_formula_sum 'Nb7 Cu1' _cell_volume 142.54523810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 2.07305541 2.07305541 1 Nb Nb2 1 2.07305541 0.00000000 2.07305541 1 Nb Nb3 1 2.07305541 2.07305541 0.00000000 1 Nb Nb4 1 4.14611082 2.07305541 2.07305541 1 Nb Nb5 1 2.07305541 4.14611082 2.07305541 1 Nb Nb6 1 2.07305541 2.07305541 4.14611082 1 Nb Nb7 1 4.14611082 4.14611082 4.14611082 1 [/CIF]
CuNb7
Fm-3m
225
cubic
m-3m
8,316.26048
false
[CIF] data_BPOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73344412 _cell_length_b 2.73344412 _cell_length_c 7.75258897 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.01915490 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPOs2 _chemical_formula_sum 'B1 P1 Os2' _cell_volume 50.65308536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97495576 1 Os Os1 1 1.38693404 0.00000000 0.39614094 1 Os Os2 1 0.00000000 0.00000000 5.62324970 1 P P3 1 1.38693404 0.00000000 3.63453705 1 [/CIF]
BOs2P
Cmm2
35
orthorhombic
mm2
13,842.274719
false
[CIF] data_As2RuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05629147 _cell_length_b 5.05629147 _cell_length_c 2.94693969 _cell_angle_alpha 105.82210484 _cell_angle_beta 105.82210484 _cell_angle_gamma 106.96913437 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2RuW _chemical_formula_sum 'As2 Ru1 W1' _cell_volume 64.05151203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.82919113 -2.03186216 1.30968669 1 As As1 1 0.82919113 2.03186217 1.30968669 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.00869207 -0.00000000 0.00000000 1 [/CIF]
As2RuW
C2/m
12
monoclinic
2/m
11,271.001262
false
[CIF] data_Fe2SiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04613615 _cell_length_b 8.04613615 _cell_length_c 8.04613615 _cell_angle_alpha 18.85702419 _cell_angle_beta 18.85702419 _cell_angle_gamma 18.85702419 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2SiIr _chemical_formula_sum 'Fe2 Si1 Ir1' _cell_volume 47.55080589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.05109593 1 Fe Fe1 1 -0.00000000 -0.00000000 17.65152697 1 Ir Ir2 1 -0.00000000 -0.00000000 11.85131145 1 Si Si3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Fe2IrSi
R-3m
166
trigonal
-3m
11,593.631404
false
[CIF] data_CuPW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33830250 _cell_length_b 4.33830250 _cell_length_c 4.33830250 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPW2 _chemical_formula_sum 'Cu1 P1 W2' _cell_volume 57.73570814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53382156 1.53382156 1.53382156 1 P P1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.60146468 4.60146468 4.60146468 1 W W3 1 3.06764312 3.06764312 3.06764312 1 [/CIF]
CuPW2
F-43m
216
cubic
-43m
13,293.346285
false
[CIF] data_In2ReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18148326 _cell_length_b 3.18148326 _cell_length_c 10.55259350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.12295301 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2ReBi _chemical_formula_sum 'In2 Re1 Bi1' _cell_volume 96.70710946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70652970 0.00000000 3.14597843 1 In In1 1 0.00000000 0.00000000 10.32338800 1 In In2 1 1.70652970 0.00000000 7.55866496 1 Re Re3 1 0.00000000 0.00000000 5.35345235 1 [/CIF]
BiIn2Re
Cmm2
35
orthorhombic
mm2
10,728.721717
false
[CIF] data_GeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51284998 _cell_length_b 4.51284998 _cell_length_c 4.51284998 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeCl _chemical_formula_sum 'Ge1 Cl1' _cell_volume 64.98867619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 1.59553341 1.59553341 1.59553341 1 [/CIF]
ClGe
F-43m
216
cubic
-43m
2,761.906533
false
[CIF] data_HfZrScPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80565280 _cell_length_b 4.80565280 _cell_length_c 4.80565280 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrScPt _chemical_formula_sum 'Hf1 Zr1 Sc1 Pt1' _cell_volume 78.47696029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09716452 5.09716452 5.09716452 1 Pt Pt1 1 3.39810968 3.39810968 3.39810968 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.69905484 1.69905484 1.69905484 1 [/CIF]
HfPtScZr
F-43m
216
cubic
-43m
10,786.17574
false
[CIF] data_ZrScMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65715387 _cell_length_b 4.65715387 _cell_length_c 4.65715387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScMoPt _chemical_formula_sum 'Zr1 Sc1 Mo1 Pt1' _cell_volume 71.42442656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 3.29310508 3.29310508 3.29310508 1 Pt Pt1 1 1.64655254 1.64655254 1.64655254 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 4.93965762 4.93965762 4.93965762 1 [/CIF]
MoPtScZr
F-43m
216
cubic
-43m
9,932.484308
false
[CIF] data_Ta4VRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33288332 _cell_length_b 5.33288332 _cell_length_c 5.33288332 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4VRe _chemical_formula_sum 'Ta4 V1 Re1' _cell_volume 107.24356630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88545898 1.88545898 1.88545898 1 Ta Ta1 1 2.82956071 2.82956071 4.71227521 1 Ta Ta2 1 2.82956071 4.71227521 2.82956071 1 Ta Ta3 1 4.71227521 2.82956071 2.82956071 1 Ta Ta4 1 4.71227521 4.71227521 4.71227521 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReTa4V
F-43m
216
cubic
-43m
14,879.013249
false
[CIF] data_LiTiV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03693977 _cell_length_b 4.12162759 _cell_length_c 4.54588339 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiV2 _chemical_formula_sum 'Li1 Ti1 V2' _cell_volume 56.90143493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 1.51846989 2.06081380 0.00000000 1 V V2 1 1.51846989 0.00000000 2.27294170 1 V V3 1 0.00000000 2.06081380 2.27294170 1 [/CIF]
LiTiV2
Pmmm
47
orthorhombic
mmm
4,572.670746
false
[CIF] data_GaBi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25359552 _cell_length_b 6.25359552 _cell_length_c 3.84946896 _cell_angle_alpha 104.57575797 _cell_angle_beta 104.57575797 _cell_angle_gamma 116.83004863 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBi2Br _chemical_formula_sum 'Ga1 Bi2 Br1' _cell_volume 117.81385951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.71289406 2.66360741 1.68799811 1 Bi Bi1 1 0.71289406 -2.66360741 1.68799811 1 Br Br2 1 3.27539911 -0.00000000 0.00000000 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2BrGa
C2/m
12
monoclinic
2/m
7,999.922246
false
[CIF] data_ZrPa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90448847 _cell_length_b 4.90448847 _cell_length_c 4.90448847 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPa2Fe _chemical_formula_sum 'Zr1 Pa2 Fe1' _cell_volume 83.41922580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pa Pa1 1 5.20199558 5.20199558 5.20199558 1 Pa Pa2 1 1.73399853 1.73399853 1.73399853 1 Zr Zr3 1 3.46799705 3.46799705 3.46799705 1 [/CIF]
FePa2Zr
Fm-3m
225
cubic
m-3m
12,125.526452
false
[CIF] data_Zn2ReIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73743717 _cell_length_b 2.73743717 _cell_length_c 9.08517276 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.86166334 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2ReIr _chemical_formula_sum 'Zn2 Re1 Ir1' _cell_volume 59.62389568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39220077 -0.00000000 4.54826552 1 Re Re1 1 0.00000000 0.00000000 2.29522853 1 Zn Zn2 1 1.39220077 -0.00000000 9.07137911 1 Zn Zn3 1 0.00000000 0.00000000 6.79805874 1 [/CIF]
IrReZn2
Cmm2
35
orthorhombic
mm2
14,180.890303
false
[CIF] data_CdSi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33854606 _cell_length_b 6.33854606 _cell_length_c 6.33854606 _cell_angle_alpha 152.42958692 _cell_angle_beta 137.09108562 _cell_angle_gamma 51.76563102 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSi2Cl _chemical_formula_sum 'Cd1 Si2 Cl1' _cell_volume 79.87517181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51036592 -0.00000000 5.30738022 1 Cl Cl1 1 0.00000000 0.00000000 8.62599733 1 Si Si2 1 1.51036592 0.00000000 0.57319952 1 Si Si3 1 0.00000000 -0.00000000 2.60157861 1 [/CIF]
CdClSi2
Imm2
44
orthorhombic
mm2
4,241.719683
false
[CIF] data_SrTiAlAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93890082 _cell_length_b 4.93890082 _cell_length_c 4.93890082 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiAlAu _chemical_formula_sum 'Sr1 Ti1 Al1 Au1' _cell_volume 85.18750853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 5.23849539 5.23849539 5.23849539 1 Sr Sr2 1 1.74616513 1.74616513 1.74616513 1 Ti Ti3 1 3.49233026 3.49233026 3.49233026 1 [/CIF]
AlAuSrTi
F-43m
216
cubic
-43m
7,006.379789
false
[CIF] data_CdRu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33651843 _cell_length_b 5.33651843 _cell_length_c 2.89355285 _cell_angle_alpha 104.74648243 _cell_angle_beta 104.74648243 _cell_angle_gamma 113.79463703 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdRu2Se _chemical_formula_sum 'Cd1 Ru2 Se1' _cell_volume 66.70918333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91449240 0.00000000 0.00000000 1 Ru Ru1 1 0.78294032 -2.23518249 1.28002875 1 Ru Ru2 1 0.78294032 2.23518249 1.28002875 1 Se Se3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
CdRu2Se
C2/m
12
monoclinic
2/m
9,795.358839
false
[CIF] data_SrTlP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79092686 _cell_length_b 4.79092686 _cell_length_c 4.09221816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlP2 _chemical_formula_sum 'Sr1 Tl1 P2' _cell_volume 93.92860244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39546343 0.00000000 2.04610908 1 P P1 1 0.00000000 2.39546343 2.04610908 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.39546343 2.39546343 0.00000000 1 [/CIF]
P2SrTl
P4/mmm
123
tetragonal
4/mmm
6,257.647043
false
[CIF] data_KTb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65070420 _cell_length_b 3.65070420 _cell_length_c 7.15860200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTb _chemical_formula_sum 'K1 Tb1' _cell_volume 82.62512694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Tb Tb1 1 1.82535212 1.05386752 3.57930100 1 [/CIF]
KTb
P-6m2
187
hexagonal
-6m2
3,979.720169
false
[CIF] data_Al3CoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57019991 _cell_length_b 4.57019991 _cell_length_c 4.57019991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3CoSb _chemical_formula_sum 'Al3 Co1 Sb1' _cell_volume 95.45651885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28509996 2.28509996 2.28509996 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Al Al2 1 0.00000000 2.28509996 0.00000000 1 Al Al3 1 0.00000000 0.00000000 2.28509996 1 Al Al4 1 2.28509996 0.00000000 0.00000000 1 [/CIF]
Al3CoSb
Pm-3m
221
cubic
m-3m
4,551.389589
false
[CIF] data_TaAgTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19015614 _cell_length_b 6.19015614 _cell_length_c 6.19015614 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAgTe4 _chemical_formula_sum 'Ta1 Ag1 Te4' _cell_volume 167.72191504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 2.18855069 2.18855069 2.18855069 1 Te Te2 1 3.28373072 3.28373072 5.47047204 1 Te Te3 1 3.28373072 5.47047204 3.28373072 1 Te Te4 1 5.47047204 3.28373072 3.28373072 1 Te Te5 1 5.47047204 5.47047204 5.47047204 1 [/CIF]
AgTaTe4
F-43m
216
cubic
-43m
7,912.678097
false
[CIF] data_NbSeF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46294227 _cell_length_b 4.46294227 _cell_length_c 4.46294227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSeF3 _chemical_formula_sum 'Nb1 Se1 F3' _cell_volume 88.89223123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23147114 2.23147114 2.23147114 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 F F2 1 0.00000000 2.23147114 0.00000000 1 F F3 1 0.00000000 0.00000000 2.23147114 1 F F4 1 2.23147114 0.00000000 0.00000000 1 [/CIF]
F3NbSe
Pm-3m
221
cubic
m-3m
4,275.217363
false
[CIF] data_P(HO)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02784904 _cell_length_b 11.81464430 _cell_length_c 6.57327292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P(HO)3 _chemical_formula_sum 'P8 H24 O24' _cell_volume 545.78895105 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy H H0 1 5.52544911 7.10411667 0.44621283 1 H H1 1 2.01152459 10.61784978 0.44621283 1 H H2 1 3.80144690 8.63669284 1.03789028 1 H H3 1 0.28752238 9.08527361 1.03789028 1 H H4 1 4.10712523 0.73090789 0.92010860 1 H H5 1 0.59320071 5.17641426 0.92010860 1 H H6 1 6.82813078 1.73763810 1.35382169 1 H H7 1 3.31420626 4.16968405 1.35382169 1 H H8 1 1.41524702 8.17549874 2.89107786 1 H H9 1 4.92917154 9.54646771 2.89107786 1 H H10 1 1.33136528 0.28244313 3.11291938 1 H H11 1 4.84528980 5.62487902 3.11291938 1 H H12 1 5.01632445 1.19679452 3.73284929 1 H H13 1 1.50239993 4.71052763 3.73284929 1 H H14 1 6.74032666 2.72937069 4.32452674 1 H H15 1 3.22640214 3.17795146 4.32452674 1 H H16 1 6.43464833 6.63823004 4.20674506 1 H H17 1 2.92072381 11.08373641 4.20674506 1 H H18 1 3.71364278 7.64496025 4.64045815 1 H H19 1 0.19971826 10.07700620 4.64045815 1 H H20 1 2.09867750 2.26817659 6.17771432 1 H H21 1 5.61260202 3.63914556 6.17771432 1 H H22 1 2.18255924 6.18976528 6.39955584 1 H H23 1 5.69648376 11.53220117 6.39955584 1 O O24 1 0.69737114 6.33884152 0.02027690 1 O O25 1 4.21129566 11.38312493 0.02027690 1 O O26 1 0.08167534 8.85596176 0.04259317 1 O O27 1 3.59559986 8.86600469 0.04259317 1 O O28 1 4.22453894 1.59124662 1.48812786 1 O O29 1 0.71061442 4.31607553 1.48812786 1 O O30 1 4.17182255 8.34410825 2.41873654 1 O O31 1 0.65789803 9.37785820 2.41873654 1 O O32 1 3.84455509 5.85440105 3.03546342 1 O O33 1 0.33063057 0.05292110 3.03546342 1 O O34 1 1.90177292 7.28574001 3.08959840 1 O O35 1 5.41569744 10.43622644 3.08959840 1 O O36 1 2.81655338 0.43151937 3.30691336 1 O O37 1 6.33047790 5.47580278 3.30691336 1 O O38 1 3.43224918 2.94863961 3.32922963 1 O O39 1 6.94617370 2.95868254 3.32922963 1 O O40 1 6.31723462 7.49856877 4.77476432 1 O O41 1 2.80331010 10.22339768 4.77476432 1 O O42 1 6.36995101 2.43678610 5.70537300 1 O O43 1 2.85602649 3.47053605 5.70537300 1 O O44 1 6.69721847 11.76172320 6.32209988 1 O O45 1 3.18329395 5.96024325 6.32209988 1 O O46 1 1.61215160 1.37841786 6.37623486 1 O O47 1 5.12607612 4.52890429 6.37623486 1 P P48 1 0.07030147 1.43234214 0.02083458 1 P P49 1 3.58422599 4.47498001 0.02083458 1 P P50 1 3.86084044 1.49017636 2.99930016 1 P P51 1 0.34691592 4.41714579 2.99930016 1 P P52 1 3.44362305 7.33966429 3.30747104 1 P P53 1 6.95754757 10.38230216 3.30747104 1 P P54 1 6.68093312 7.39749851 6.28593662 1 P P55 1 3.16700860 10.32446794 6.28593662 1 [/CIF]
H24O24P8
Pna2_1
33
orthorhombic
mm2
1,995.748709
true
[CIF] data_La2HgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87830315 _cell_length_b 6.87830315 _cell_length_c 6.87830315 _cell_angle_alpha 150.18092735 _cell_angle_beta 138.60361322 _cell_angle_gamma 51.84778696 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HgRu _chemical_formula_sum 'La2 Hg1 Ru1' _cell_volume 106.46241521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43110425 2.36344637 1 La La1 1 0.00000000 -0.00000000 0.06281544 1 La La2 1 1.76974361 0.00000000 3.78348951 1 Ru Ru3 1 0.00000000 0.00000000 6.16260398 1 [/CIF]
HgLa2Ru
Imm2
44
orthorhombic
mm2
9,038.251968
false
[CIF] data_Li2TiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82192879 _cell_length_b 4.35566050 _cell_length_c 5.29342769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiGe _chemical_formula_sum 'Li2 Ti1 Ge1' _cell_volume 65.06344530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64671384 1 Li Li1 1 1.41096439 2.17783025 3.88823226 1 Li Li2 1 1.41096439 2.17783025 1.40519543 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeLi2Ti
Pmmm
47
orthorhombic
mmm
3,429.855022
false
[CIF] data_RePCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78379660 _cell_length_b 7.50202631 _cell_length_c 3.00265816 _cell_angle_alpha 84.00045431 _cell_angle_beta 73.43992262 _cell_angle_gamma 22.55962307 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePCl _chemical_formula_sum 'Re1 P1 Cl1' _cell_volume 58.16461782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53441607 2.58099271 14.16046233 1 P P1 1 1.53441607 2.58099271 10.39934717 1 Re Re2 1 1.53441607 2.58099271 4.81391101 1 [/CIF]
ClPRe
Fmm2
42
orthorhombic
mm2
7,212.429945
false
[CIF] data_HfCrCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41792810 _cell_length_b 4.41792810 _cell_length_c 4.41792810 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrCu2 _chemical_formula_sum 'Hf1 Cr1 Cu2' _cell_volume 60.97347313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 4.68592038 4.68592038 4.68592038 1 Cu Cu2 1 1.56197346 1.56197346 1.56197346 1 Hf Hf3 1 3.12394692 3.12394692 3.12394692 1 [/CIF]
CrCu2Hf
Fm-3m
225
cubic
m-3m
9,738.208665
false
[CIF] data_LaAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55322524 _cell_length_b 7.55322524 _cell_length_c 7.55322524 _cell_angle_alpha 148.46028998 _cell_angle_beta 148.46028998 _cell_angle_gamma 45.20634213 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAs4 _chemical_formula_sum 'La1 As4' _cell_volume 117.53401533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05276992 0.00000000 3.48652703 1 As As1 1 0.00000000 2.05276992 3.48652703 1 As As2 1 0.00000000 -0.00000000 8.23901829 1 As As3 1 -0.00000000 0.00000000 5.70708981 1 La La4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As4La
I4/mmm
139
tetragonal
4/mmm
6,196.494967
false
[CIF] data_GeS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03900617 _cell_length_b 7.03900617 _cell_length_c 5.18683491 _cell_angle_alpha 101.53790568 _cell_angle_beta 101.53790568 _cell_angle_gamma 29.73381659 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeS2 _chemical_formula_sum 'Ge2 S4' _cell_volume 124.70306797 _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 Ge Ge0 1 8.54118440 -0.00000000 3.54695172 1 Ge Ge1 1 3.99217537 0.00000000 1.52760296 1 S S2 1 -0.17724822 -0.00000000 3.48196372 1 S S3 1 3.47405204 -0.00000000 3.96596358 1 S S4 1 12.71060798 0.00000000 1.59259096 1 S S5 1 9.05930772 0.00000000 1.10859110 1 [/CIF]
Ge2S4
C2/m
12
monoclinic
2/m
3,642.443315
false
[CIF] data_YSnOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82713773 _cell_length_b 4.82713773 _cell_length_c 4.82713773 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSnOsAu _chemical_formula_sum 'Y1 Sn1 Os1 Au1' _cell_volume 79.53422849 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.11995273 5.11995273 5.11995273 1 Os Os1 1 3.41330182 3.41330182 3.41330182 1 Sn Sn2 1 1.70665091 1.70665091 1.70665091 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuOsSnY
F-43m
216
cubic
-43m
12,418.669016
false
[CIF] data_BeCuHg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75360371 _cell_length_b 5.75360371 _cell_length_c 5.75360371 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCuHg4 _chemical_formula_sum 'Be1 Cu1 Hg4' _cell_volume 134.68053707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 2.03420610 2.03420610 2.03420610 1 Hg Hg2 1 3.04825722 3.04825722 5.08856718 1 Hg Hg3 1 3.04825722 5.08856718 3.04825722 1 Hg Hg4 1 5.08856718 3.04825722 3.04825722 1 Hg Hg5 1 5.08856718 5.08856718 5.08856718 1 [/CIF]
BeCuHg4
F-43m
216
cubic
-43m
10,787.273744
false
[CIF] data_MgSi2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80414524 _cell_length_b 4.80414524 _cell_length_c 4.80414524 _cell_angle_alpha 139.22558669 _cell_angle_beta 124.44499840 _cell_angle_gamma 71.16150587 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2Tc _chemical_formula_sum 'Mg1 Si2 Tc1' _cell_volume 58.56138801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 1.67358528 0.00000000 2.02907866 1 Si Si2 1 -0.00000000 2.23892021 1.87811472 1 Tc Tc3 1 0.00000000 0.00000000 3.90719338 1 [/CIF]
MgSi2Tc
Immm
71
orthorhombic
mmm
5,086.476962
false
[CIF] data_MnGaMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71916527 _cell_length_b 2.71916527 _cell_length_c 8.31071290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.59667984 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGaMo2 _chemical_formula_sum 'Mn1 Ga1 Mo2' _cell_volume 58.88825814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15535645 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.62510471 0.00000000 2.00082740 1 Mo Mo3 1 1.62510471 0.00000000 6.30988550 1 [/CIF]
GaMnMo2
Cmmm
65
orthorhombic
mmm
8,926.995118
false
[CIF] data_TlPd2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11773875 _cell_length_b 3.11773875 _cell_length_c 7.42786653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlPd2Au _chemical_formula_sum 'Tl1 Pd2 Au1' _cell_volume 72.20105325 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pd Pd1 1 1.55886938 1.55886938 1.81396263 1 Pd Pd2 1 1.55886938 1.55886938 5.61390390 1 Tl Tl3 1 0.00000000 0.00000000 3.71393327 1 [/CIF]
AuPd2Tl
P4/mmm
123
tetragonal
4/mmm
14,125.642576
false
[CIF] data_TaRhCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14479055 _cell_length_b 3.14479055 _cell_length_c 6.21726964 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRhCl2 _chemical_formula_sum 'Ta1 Rh1 Cl2' _cell_volume 61.48697864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57239527 1.57239527 4.56802030 1 Cl Cl1 1 1.57239527 1.57239527 1.64924934 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 3.10863482 1 [/CIF]
Cl2RhTa
P4/mmm
123
tetragonal
4/mmm
9,580.759339
false
[CIF] data_ScAl2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86093866 _cell_length_b 4.86093866 _cell_length_c 4.90847401 _cell_angle_alpha 103.66342978 _cell_angle_beta 103.66342978 _cell_angle_gamma 37.56688662 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAl2Cu _chemical_formula_sum 'Sc1 Al2 Cu1' _cell_volume 68.47571960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 7.94493625 0.00000000 4.56188764 1 Al Al1 1 1.30425006 -0.00000000 3.56690702 1 Cu Cu2 1 4.05227382 0.00000000 2.49661101 1 Sc Sc3 1 6.64708673 0.00000000 1.25768136 1 [/CIF]
Al2CuSc
Cm
8
monoclinic
m
3,939.782789
false
[CIF] data_BC7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62015300 _cell_length_b 3.62015300 _cell_length_c 3.62015300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BC7 _chemical_formula_sum 'B1 C7' _cell_volume 47.44394317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 C C1 1 0.00000000 1.81007650 1.81007650 1 C C2 1 1.81007650 1.81007650 0.00000000 1 C C3 1 1.81007650 0.00000000 1.81007650 1 C C4 1 2.69781404 2.69781404 0.92233896 1 C C5 1 2.69781404 0.92233896 2.69781404 1 C C6 1 0.92233896 2.69781404 2.69781404 1 C C7 1 0.92233896 0.92233896 0.92233896 1 [/CIF]
C7B
P-43m
215
cubic
-43m
3,321.008611
false
[CIF] data_SmAgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77891896 _cell_length_b 4.77891896 _cell_length_c 4.77891896 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmAgPt2 _chemical_formula_sum 'Sm1 Ag1 Pt2' _cell_volume 77.17453094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 5.06880900 5.06880900 5.06880900 1 Pt Pt2 1 1.68960300 1.68960300 1.68960300 1 Sm Sm3 1 3.37920600 3.37920600 3.37920600 1 [/CIF]
AgPt2Sm
Fm-3m
225
cubic
m-3m
13,951.328341
false
[CIF] data_Sc2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71629025 _cell_length_b 5.71629025 _cell_length_c 5.71629025 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2V _chemical_formula_sum 'Sc4 V2' _cell_volume 132.07718973 _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 Sc Sc0 1 5.05253450 3.03152070 3.03152070 1 Sc Sc1 1 3.03152070 5.05253450 3.03152070 1 Sc Sc2 1 3.03152070 3.03152070 5.05253450 1 Sc Sc3 1 5.05253450 5.05253450 5.05253450 1 V V4 1 2.02101380 2.02101380 2.02101380 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc4V2
Fd-3m
227
cubic
m-3m
3,541.753843
false
[CIF] data_BaSr7Co6(CuO12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78292625 _cell_length_b 7.74930287 _cell_length_c 7.74930287 _cell_angle_alpha 90.06523168 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr7Co6(CuO12)2 _chemical_formula_sum 'Ba1 Sr7 Co6 Cu2 O24' _cell_volume 467.37760971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.89146312 0.00000000 2.73611305 1 Sr Sr1 1 3.89146312 -2.74332220 5.47331296 1 Sr Sr2 1 0.00000000 -2.74604771 5.47564226 1 Sr Sr3 1 0.00000000 0.00000000 2.73448654 1 Sr Sr4 1 3.89146312 0.00000000 8.21747564 1 Sr Sr5 1 0.00000000 -0.00000000 8.22191837 1 Sr Sr6 1 3.89146312 2.74332220 5.47331296 1 Sr Sr7 1 0.00000000 2.74604771 5.47564226 1 Co Co8 1 5.84609703 2.72512544 8.21509196 1 Co Co9 1 1.93682922 2.72512544 8.21509196 1 Co Co10 1 5.84609703 -2.72512544 8.21509196 1 Co Co11 1 1.93682922 -2.72512544 8.21509196 1 Co Co12 1 5.85184994 -0.00000000 5.48724705 1 Co Co13 1 1.93107631 -0.00000000 5.48724705 1 Cu Cu14 1 5.84355676 -0.00000000 10.95230293 1 Cu Cu15 1 1.93936949 -0.00000000 10.95230293 1 O O16 1 5.87785410 -4.03474526 6.86690810 1 O O17 1 1.90507215 -4.03474526 6.86690810 1 O O18 1 5.87149319 -1.37142611 4.15581000 1 O O19 1 1.91143306 -1.37142611 4.15581000 1 O O20 1 5.84643722 -1.40839812 9.53729213 1 O O21 1 1.93648903 -1.40839812 9.53729213 1 O O22 1 5.84957195 1.33960187 6.83329575 1 O O23 1 1.93335430 1.33960187 6.83329575 1 O O24 1 5.84643722 1.40839812 9.53729213 1 O O25 1 1.93648903 1.40839812 9.53729213 1 O O26 1 5.87785410 4.03474526 6.86690810 1 O O27 1 1.90507215 4.03474526 6.86690810 1 O O28 1 5.84957195 -1.33960187 6.83329575 1 O O29 1 1.93335430 -1.33960187 6.83329575 1 O O30 1 5.87149319 1.37142611 4.15581000 1 O O31 1 1.91143306 1.37142611 4.15581000 1 O O32 1 3.89146312 -0.00000000 10.86667501 1 O O33 1 0.00000000 -0.00000000 10.93377517 1 O O34 1 3.89146312 2.68556927 8.20339905 1 O O35 1 0.00000000 2.72407254 8.21853698 1 O O36 1 3.89146312 -2.68556927 8.20339905 1 O O37 1 0.00000000 -2.72407254 8.21853698 1 O O38 1 3.89146312 -0.00000000 5.51383430 1 O O39 1 0.00000000 -0.00000000 5.49739856 1 [/CIF]
BaCo6Cu2O24Sr7
Amm2
38
orthorhombic
mm2
5,739.13123
false
[CIF] data_FeNiMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23612792 _cell_length_b 4.23612792 _cell_length_c 4.23612792 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNiMoPt _chemical_formula_sum 'Fe1 Ni1 Mo1 Pt1' _cell_volume 53.75169967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.49769739 1.49769739 1.49769739 1 Ni Ni2 1 2.99539478 2.99539478 2.99539478 1 Pt Pt3 1 4.49309217 4.49309217 4.49309217 1 [/CIF]
FeMoNiPt
F-43m
216
cubic
-43m
12,529.565094
false
[CIF] data_Zn2SiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70513425 _cell_length_b 3.70513425 _cell_length_c 3.96289542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2SiRu _chemical_formula_sum 'Zn2 Si1 Ru1' _cell_volume 54.40270683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 1.85256712 1.85256712 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 1.85256712 1.98144771 1 Zn Zn3 1 1.85256712 0.00000000 1.98144771 1 [/CIF]
RuSiZn2
P4/mmm
123
tetragonal
4/mmm
7,933.42587
false
[CIF] data_Al2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42780848 _cell_length_b 4.42780848 _cell_length_c 3.02451113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2MoPd _chemical_formula_sum 'Al2 Mo1 Pd1' _cell_volume 59.29701647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21390424 0.00000000 1.51225557 1 Al Al1 1 0.00000000 2.21390424 1.51225557 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 2.21390424 2.21390424 0.00000000 1 [/CIF]
Al2MoPd
P4/mmm
123
tetragonal
4/mmm
7,178.568493
false
[CIF] data_TlInW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81513210 _cell_length_b 4.81513210 _cell_length_c 4.81513210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlInW2 _chemical_formula_sum 'Tl1 In1 W2' _cell_volume 78.94227186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 5.10721884 5.10721884 5.10721884 1 W W2 1 3.40481256 3.40481256 3.40481256 1 W W3 1 1.70240628 1.70240628 1.70240628 1 [/CIF]
InTlW2
F-43m
216
cubic
-43m
14,448.447021
false
[CIF] data_TiCdNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31946557 _cell_length_b 4.31946557 _cell_length_c 4.31946557 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdNi2 _chemical_formula_sum 'Ti1 Cd1 Ni2' _cell_volume 56.98690271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.05432340 3.05432340 3.05432340 1 Ni Ni1 1 1.52716170 1.52716170 1.52716170 1 Ni Ni2 1 4.58148510 4.58148510 4.58148510 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdNi2Ti
Fm-3m
225
cubic
m-3m
8,090.984052
false
[CIF] data_TlPdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05104648 _cell_length_b 3.05104648 _cell_length_c 7.45576583 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlPdPt2 _chemical_formula_sum 'Tl1 Pd1 Pt2' _cell_volume 69.40486389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.66290802 1 Pt Pt1 1 1.52552324 1.52552324 0.00122819 1 Pt Pt2 1 0.00000000 0.00000000 1.77674300 1 Tl Tl3 1 1.52552324 1.52552324 3.74276947 1 [/CIF]
PdPt2Tl
P4mm
99
tetragonal
4mm
16,771.018096
false
[CIF] data_Zn4CdOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02212624 _cell_length_b 5.02212624 _cell_length_c 5.02212624 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn4CdOs _chemical_formula_sum 'Zn4 Cd1 Os1' _cell_volume 89.56696904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.77558976 1.77558976 1.77558976 1 Zn Zn2 1 2.67069893 2.67069893 4.43166011 1 Zn Zn3 1 2.67069893 4.43166011 2.67069893 1 Zn Zn4 1 4.43166011 2.67069893 2.67069893 1 Zn Zn5 1 4.43166011 4.43166011 4.43166011 1 [/CIF]
CdOsZn4
F-43m
216
cubic
-43m
10,459.339982
false
[CIF] data_ZrTaGaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86589620 _cell_length_b 4.86589620 _cell_length_c 4.86589620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaGaPb _chemical_formula_sum 'Zr1 Ta1 Ga1 Pb1' _cell_volume 81.46546169 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.44070820 3.44070820 3.44070820 1 Ta Ta2 1 5.16106230 5.16106230 5.16106230 1 Zr Zr3 1 1.72035410 1.72035410 1.72035410 1 [/CIF]
GaPbTaZr
F-43m
216
cubic
-43m
11,192.393447
false
[CIF] data_ZnNi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26433279 _cell_length_b 3.00352477 _cell_length_c 6.35055669 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.14277329 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNi2Br _chemical_formula_sum 'Zn1 Ni2 Br1' _cell_volume 61.90656175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29239145 0.00000000 3.15704697 1 Ni Ni1 1 0.99472281 1.50176238 5.09733678 1 Ni Ni2 1 1.59006009 1.50176238 1.21675716 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrNi2Zn
P2/m
10
monoclinic
2/m
7,045.701016
false
[CIF] data_MnSnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30820959 _cell_length_b 5.30820959 _cell_length_c 3.74367423 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSnPb2 _chemical_formula_sum 'Mn1 Sn1 Pb2' _cell_volume 105.48584216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 2.65410480 1.87183711 1 Pb Pb2 1 2.65410480 0.00000000 1.87183711 1 Sn Sn3 1 2.65410480 2.65410480 0.00000000 1 [/CIF]
MnPb2Sn
P4/mmm
123
tetragonal
4/mmm
9,256.946068
false
[CIF] data_OsRhBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75632491 _cell_length_b 6.75632491 _cell_length_c 4.68882131 _cell_angle_alpha 99.44645342 _cell_angle_beta 99.44645342 _cell_angle_gamma 26.55123434 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsRhBr2 _chemical_formula_sum 'Os1 Rh1 Br2' _cell_volume 94.30304889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.04643770 0.00000000 1.29442382 1 Br Br1 1 1.31442307 -0.00000000 3.32724909 1 Os Os2 1 6.18043039 -0.00000000 2.31083646 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2OsRh
C2/m
12
monoclinic
2/m
7,975.674016
false
[CIF] data_BaFeTcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63096721 _cell_length_b 4.63096721 _cell_length_c 4.63096721 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeTcRu _chemical_formula_sum 'Ba1 Fe1 Tc1 Ru1' _cell_volume 70.22635393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27458832 3.27458832 3.27458832 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.91188248 4.91188248 4.91188248 1 Tc Tc3 1 1.63729416 1.63729416 1.63729416 1 [/CIF]
BaFeRuTc
F-43m
216
cubic
-43m
9,296.195923
false
[CIF] data_AgBiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28463395 _cell_length_b 4.28463395 _cell_length_c 4.13002812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBiPt2 _chemical_formula_sum 'Ag1 Bi1 Pt2' _cell_volume 75.81942002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 2.14231697 2.14231697 0.00000000 1 Pt Pt2 1 2.14231697 0.00000000 2.06501406 1 Pt Pt3 1 0.00000000 2.14231697 2.06501406 1 [/CIF]
AgBiPt2
P4/mmm
123
tetragonal
4/mmm
15,484.537928
false
[CIF] data_FeAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19767012 _cell_length_b 5.19767012 _cell_length_c 5.19767012 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAu3 _chemical_formula_sum 'Fe2 Au6' _cell_volume 140.41908480 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.59883506 3.89825259 0.00000000 1 Au Au1 1 2.59883506 1.29941753 0.00000000 1 Au Au2 1 3.89825259 0.00000000 2.59883506 1 Au Au3 1 0.00000000 2.59883506 3.89825259 1 Au Au4 1 0.00000000 2.59883506 1.29941753 1 Au Au5 1 1.29941753 0.00000000 2.59883506 1 Fe Fe6 1 2.59883506 2.59883506 2.59883506 1 Fe Fe7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au6Fe2
Pm-3n
223
cubic
m-3m
15,296.280468
false
[CIF] data_GaSn3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47782059 _cell_length_b 5.47782059 _cell_length_c 5.47782059 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSn3Br _chemical_formula_sum 'Ga1 Sn3 Br1' _cell_volume 164.37032441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 2.73891030 0.00000000 1 Sn Sn2 1 0.00000000 0.00000000 2.73891030 1 Sn Sn3 1 2.73891030 0.00000000 0.00000000 1 Br Br4 1 2.73891030 2.73891030 2.73891030 1 [/CIF]
BrGaSn3
Pm-3m
221
cubic
m-3m
5,109.372751
false
[CIF] data_Sc3NbP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99616369 _cell_length_b 4.99616369 _cell_length_c 4.99616369 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3NbP _chemical_formula_sum 'Sc3 Nb1 P1' _cell_volume 124.71249745 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.49808185 0.00000000 2.49808185 1 Sc Sc1 1 2.49808185 2.49808185 0.00000000 1 Sc Sc2 1 0.00000000 2.49808185 2.49808185 1 P P3 1 0.00000000 0.00000000 0.00000000 1 Nb Nb4 1 2.49808185 2.49808185 2.49808185 1 [/CIF]
NbPSc3
Pm-3m
221
cubic
m-3m
3,445.211736
false
[CIF] data_HfFeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44868170 _cell_length_b 4.44868170 _cell_length_c 4.44868170 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeIr2 _chemical_formula_sum 'Hf1 Fe1 Ir2' _cell_volume 62.25568319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.14569300 3.14569300 3.14569300 1 Ir Ir2 1 4.71853950 4.71853950 4.71853950 1 Ir Ir3 1 1.57284650 1.57284650 1.57284650 1 [/CIF]
FeHfIr2
Fm-3m
225
cubic
m-3m
16,504.358236
false
[CIF] data_ZrTePd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88748066 _cell_length_b 4.88748066 _cell_length_c 4.88748066 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTePd3 _chemical_formula_sum 'Zr1 Te1 Pd3' _cell_volume 116.74953397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44374033 2.44374033 2.44374033 1 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 2.44374033 0.00000000 2.44374033 1 Pd Pd3 1 2.44374033 2.44374033 0.00000000 1 Pd Pd4 1 0.00000000 2.44374033 2.44374033 1 [/CIF]
Pd3TeZr
Pm-3m
221
cubic
m-3m
7,653.216872
false
[CIF] data_Ba4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96137143 _cell_length_b 7.96137143 _cell_length_c 7.96137143 _cell_angle_alpha 93.73136752 _cell_angle_beta 93.73136752 _cell_angle_gamma 150.44037141 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Pt _chemical_formula_sum 'Ba4 Pt1' _cell_volume 240.70655830 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.61530581 0.62316888 2.03098664 1 Ba Ba1 1 6.06644585 2.82797116 0.00000000 1 Ba Ba2 1 2.82797116 4.82010808 0.00000000 1 Ba Ba3 1 -0.62316888 2.61530581 2.03098664 1 Pt Pt4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba4Pt
I4/m
87
tetragonal
4/m
5,135.265136
false
[CIF] data_Re2TcBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94307876 _cell_length_b 4.55766580 _cell_length_c 4.66249191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TcBr _chemical_formula_sum 'Re2 Tc1 Br1' _cell_volume 62.54065886 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 0.00000000 2.27883290 2.33124595 1 Re Re2 1 1.47153938 0.00000000 2.33124595 1 Tc Tc3 1 1.47153938 2.27883290 0.00000000 1 [/CIF]
BrRe2Tc
Pmmm
47
orthorhombic
mmm
14,635.747931
false
[CIF] data_YIn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86370298 _cell_length_b 4.86370298 _cell_length_c 4.86370298 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YIn2Ru _chemical_formula_sum 'Y1 In2 Ru1' _cell_volume 81.35535379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71957868 1.71957868 1.71957868 1 In In1 1 5.15873604 5.15873604 5.15873604 1 Ru Ru2 1 3.43915736 3.43915736 3.43915736 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2RuY
Fm-3m
225
cubic
m-3m
8,564.671374
false
[CIF] data_CaSn2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31773216 _cell_length_b 5.31773216 _cell_length_c 5.31773216 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSn2Se _chemical_formula_sum 'Ca1 Sn2 Se1' _cell_volume 106.33209723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 1.88010224 1.88010224 1.88010223 1 Sn Sn2 1 3.76020447 3.76020447 3.76020447 1 Sn Sn3 1 5.64030671 5.64030671 5.64030671 1 [/CIF]
CaSeSn2
F-43m
216
cubic
-43m
5,566.639331
false
[CIF] data_SrAl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12532915 _cell_length_b 5.12532915 _cell_length_c 5.12532915 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAl2Ge _chemical_formula_sum 'Sr1 Al2 Ge1' _cell_volume 95.20292381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81207750 1.81207750 1.81207750 1 Al Al1 1 5.43623250 5.43623250 5.43623250 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 3.62415500 3.62415500 3.62415500 1 [/CIF]
Al2GeSr
Fm-3m
225
cubic
m-3m
3,736.500671
false
[CIF] data_K2GaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29054085 _cell_length_b 6.29054085 _cell_length_c 3.60822671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.30878838 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2GaTe _chemical_formula_sum 'K2 Ga1 Te1' _cell_volume 136.31499009 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.86405863 2.53337945 1.80411335 1 K K2 1 1.86405863 -2.53337945 1.80411335 1 Te Te3 1 3.72811726 -0.00000000 0.00000000 1 [/CIF]
GaK2Te
Cmmm
65
orthorhombic
mmm
3,356.278419
false
[CIF] data_Hf4Mg5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68924676 _cell_length_b 8.68924676 _cell_length_c 5.98521093 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Mg5 _chemical_formula_sum 'Hf8 Mg10' _cell_volume 391.35812364 _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 Hf Hf0 1 0.00000000 0.00000000 2.99260546 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 1.36847360 2.37026580 4.48890820 1 Hf Hf3 1 5.95229956 0.00000000 4.48890820 1 Hf Hf4 1 -2.97614978 5.15484263 4.48890820 1 Hf Hf5 1 2.97614978 5.15484263 1.49630273 1 Hf Hf6 1 2.73694720 0.00000000 1.49630273 1 Hf Hf7 1 -1.36847360 2.37026580 1.49630273 1 Mg Mg8 1 2.83970545 4.91851412 4.48890820 1 Mg Mg9 1 3.00983586 0.00000000 4.48890820 1 Mg Mg10 1 -1.50491793 2.60659432 4.48890820 1 Mg Mg11 1 1.50491793 2.60659432 1.49630273 1 Mg Mg12 1 5.67941090 0.00000000 1.49630273 1 Mg Mg13 1 -2.83970545 4.91851412 1.49630273 1 Mg Mg14 1 -0.00000000 5.01673895 2.99260546 1 Mg Mg15 1 4.34462338 2.50836948 0.00000000 1 Mg Mg16 1 4.34462338 2.50836948 2.99260546 1 Mg Mg17 1 -0.00000000 5.01673895 0.00000000 1 [/CIF]
Hf8Mg10
P6_3/mcm
193
hexagonal
6/mmm
7,089.953669
false
[CIF] data_IrOsBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66022226 _cell_length_b 4.66022226 _cell_length_c 4.66022226 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrOsBr2 _chemical_formula_sum 'Ir1 Os1 Br2' _cell_volume 71.56569470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64763738 1.64763738 1.64763738 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 4.94291214 4.94291214 4.94291214 1 Os Os3 1 3.29527476 3.29527476 3.29527476 1 [/CIF]
Br2IrOs
F-43m
216
cubic
-43m
12,581.944678
false
[CIF] data_TaCrAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40867103 _cell_length_b 5.40867103 _cell_length_c 5.40867103 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCrAu4 _chemical_formula_sum 'Ta1 Cr1 Au4' _cell_volume 111.88109369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.86923080 2.86923080 4.77978512 1 Au Au1 1 2.86923080 4.77978512 2.86923080 1 Au Au2 1 4.77978512 2.86923080 2.86923080 1 Au Au3 1 4.77978512 4.77978512 4.77978512 1 Cr Cr4 1 0.00000000 0.00000000 0.00000000 1 Ta Ta5 1 1.91225398 1.91225398 1.91225398 1 [/CIF]
Au4CrTa
F-43m
216
cubic
-43m
15,150.86467
false
[CIF] data_ZnSn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57571395 _cell_length_b 3.57571395 _cell_length_c 6.96468558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSn2P _chemical_formula_sum 'Zn1 Sn2 P1' _cell_volume 89.04859112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04607343 1 Sn Sn1 1 1.78785697 1.78785697 6.48028780 1 Sn Sn2 1 0.00000000 0.00000000 2.19105902 1 Zn Zn3 1 1.78785697 1.78785697 3.69429370 1 [/CIF]
PSn2Zn
P4mm
99
tetragonal
4mm
6,224.066706
false
[CIF] data_MnB2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82519421 _cell_length_b 2.82519421 _cell_length_c 6.01868766 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnB2Sb _chemical_formula_sum 'Mn1 B2 Sb1' _cell_volume 48.03949366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.41259710 1.41259710 5.15400652 1 B B1 1 1.41259710 1.41259710 0.86468114 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.00934383 1 [/CIF]
B2MnSb
P4/mmm
123
tetragonal
4/mmm
6,855.155151
false