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_Cr2SnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.96387071 _cell_length_b 8.96387071 _cell_length_c 8.96387071 _cell_angle_alpha 18.66266100 _cell_angle_beta 18.66266100 _cell_angle_gamma 18.66266100 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2SnAu _chemical_formula_sum 'Cr2 Sn1 Au1' _cell_volume 64.43585453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.20803924 1 Cr Cr1 1 0.00000000 0.00000000 6.59162361 1 Cr Cr2 1 0.00000000 0.00000000 19.82445486 1 Sn Sn3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
AuCr2Sn
R-3m
166
trigonal
-3m
10,815.040647
false
[CIF] data_CaGa2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73664381 _cell_length_b 4.73664381 _cell_length_c 5.41959392 _cell_angle_alpha 106.24168841 _cell_angle_beta 106.24168841 _cell_angle_gamma 46.69265898 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGa2P _chemical_formula_sum 'Ca1 Ga2 P1' _cell_volume 84.27583427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.17568882 -0.00000000 1.33771238 1 Ga Ga1 1 7.09632552 -0.00000000 4.69155168 1 Ga Ga2 1 0.91037068 -0.00000000 3.88056012 1 P P3 1 3.43435873 -0.00000000 2.99518333 1 [/CIF]
CaGa2P
Cm
8
monoclinic
m
4,147.568046
false
[CIF] data_LaV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14745950 _cell_length_b 3.14745950 _cell_length_c 5.14304500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaV _chemical_formula_sum 'La1 V1' _cell_volume 44.12363236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000002 1.81718658 2.57152250 1 V V1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaV
P-6m2
187
hexagonal
-6m2
7,144.677233
false
[CIF] data_Y2Cu2P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.98901812 _cell_length_b 4.21607943 _cell_length_c 12.09581159 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Cu2P5 _chemical_formula_sum 'Y8 Cu8 P20' _cell_volume 764.39349464 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 14.96588917 1.39392098 10.73662665 1 Cu Cu1 1 0.02312895 2.82215845 4.68872086 1 Cu Cu2 1 7.47138011 0.71411873 10.73662665 1 Cu Cu3 1 7.51763801 3.50196070 4.68872086 1 Cu Cu4 1 3.97110727 1.42112511 9.48118301 1 Cu Cu5 1 11.01791085 2.79495432 3.43327722 1 Cu Cu6 1 11.46561633 0.68691461 9.48118301 1 Cu Cu7 1 3.52340179 3.52916482 3.43327722 1 P P8 1 2.09026399 1.12793190 8.25868583 1 P P9 1 12.89875413 3.08814753 2.21078003 1 P P10 1 9.58477305 0.98010781 8.25868583 1 P P11 1 5.40424507 3.23597162 2.21078003 1 P P12 1 5.40214226 1.38359673 11.25974849 1 P P13 1 9.58687586 2.83248270 5.21184269 1 P P14 1 12.89665132 0.72444298 11.25974849 1 P P15 1 2.09236680 3.49163645 5.21184269 1 P P16 1 1.96148405 2.47345339 10.09961343 1 P P17 1 13.02753407 1.74262604 4.05170764 1 P P18 1 9.45599311 3.85066575 10.09961343 1 P P19 1 5.53302501 0.36541368 4.05170764 1 P P20 1 6.09534088 0.95794936 8.91984252 1 P P21 1 8.89367724 3.25813007 2.87193673 1 P P22 1 13.58984994 1.15009035 8.91984252 1 P P23 1 1.39916818 3.06598908 2.87193673 1 P P24 1 5.68803679 3.49053158 6.04898014 1 P P25 1 9.30098133 0.72554785 0.00107435 1 P P26 1 13.18254585 2.83358756 6.04898014 1 P P27 1 1.80647227 1.38249187 0.00107435 1 Y Y28 1 3.70686407 3.48047113 0.10135226 1 Y Y29 1 11.28215405 0.73560830 6.14925805 1 Y Y30 1 11.20137313 2.84364802 0.10135226 1 Y Y31 1 3.78764499 1.37243141 6.14925805 1 Y Y32 1 0.24315470 3.24618853 7.88172349 1 Y Y33 1 14.74586342 0.96989090 1.83381769 1 Y Y34 1 7.73766376 3.07793062 7.88172349 1 Y Y35 1 7.25135436 1.13814881 1.83381769 1 [/CIF]
Cu8P20Y8
Pna2_1
33
orthorhombic
mm2
3,995.168562
false
[CIF] data_ZrTl2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66548385 _cell_length_b 5.66548385 _cell_length_c 5.66548385 _cell_angle_alpha 141.39306206 _cell_angle_beta 128.89335974 _cell_angle_gamma 65.83801395 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTl2Os _chemical_formula_sum 'Zr1 Tl2 Os1' _cell_volume 87.06760649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44381137 2.15324825 1 Tl Tl1 1 0.00000000 -0.00000000 9.34286059 1 Tl Tl2 1 1.87284769 -0.00000000 2.44762091 1 Zr Zr3 1 -0.00000000 -0.00000000 5.07959679 1 [/CIF]
OsTl2Zr
Imm2
44
orthorhombic
mm2
13,163.773729
false
[CIF] data_CrTePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05360699 _cell_length_b 6.03458747 _cell_length_c 3.05828719 _cell_angle_alpha 75.69002388 _cell_angle_beta 75.00055733 _cell_angle_gamma 29.30941879 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTePd _chemical_formula_sum 'Cr1 Te1 Pd1' _cell_volume 52.77298309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.13579129 2.18895320 0.02200017 1 Pd Pd1 1 2.13579129 2.18895320 4.03738832 1 Te Te2 1 2.13579129 2.18895320 7.22859477 1 [/CIF]
CrPdTe
Fmm2
42
orthorhombic
mm2
8,999.69795
false
[CIF] data_LaFeTcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72097764 _cell_length_b 4.72097764 _cell_length_c 4.72097764 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFeTcAu _chemical_formula_sum 'La1 Fe1 Tc1 Au1' _cell_volume 74.40135267 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66911765 1.66911765 1.66911765 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 3.33823530 3.33823530 3.33823530 1 Tc Tc3 1 5.00735295 5.00735295 5.00735295 1 [/CIF]
AuFeLaTc
F-43m
216
cubic
-43m
10,950.057036
false
[CIF] data_Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98603792 _cell_length_b 2.98603792 _cell_length_c 4.86095780 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn _chemical_formula_sum Mn2 _cell_volume 37.53557896 _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 Mn Mn0 1 -0.00000000 1.72398980 1.21523945 1 Mn Mn1 1 1.49301896 0.86199490 3.64571835 1 [/CIF]
Mn2
P6_3/mmc
194
hexagonal
6/mmm
4,860.815926
false
[CIF] data_SrScTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28073843 _cell_length_b 5.28073843 _cell_length_c 5.28073843 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrScTi _chemical_formula_sum 'Sr1 Sc1 Ti1' _cell_volume 104.12834587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 1.86702298 1.86702298 1.86702298 1 Ti Ti2 1 5.60106892 5.60106893 5.60106893 1 [/CIF]
ScSrTi
F-43m
216
cubic
-43m
2,877.53063
false
[CIF] data_ZrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85807589 _cell_length_b 2.85807589 _cell_length_c 8.95431025 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrOs _chemical_formula_sum 'Zr2 Os2' _cell_volume 73.14415871 _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 1.42903794 0.00000000 5.29779778 1 Os Os1 1 0.00000000 1.42903794 3.65651247 1 Zr Zr2 1 1.42903794 0.00000000 1.39570628 1 Zr Zr3 1 0.00000000 1.42903794 7.55860397 1 [/CIF]
Os2Zr2
P4/nmm
129
tetragonal
4/mmm
12,779.884989
false
[CIF] data_Nb2MoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94595635 _cell_length_b 2.94595635 _cell_length_c 8.67864597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.94185504 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2MoCl _chemical_formula_sum 'Nb2 Mo1 Cl1' _cell_volume 69.36134200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 0.00000000 4.33932298 1 Nb Nb2 1 1.62722856 -0.00000000 6.46010574 1 Nb Nb3 1 1.62722856 -0.00000000 2.21854023 1 [/CIF]
ClMoNb2
Cmmm
65
orthorhombic
mmm
7,594.515219
false
[CIF] data_Mo(PbO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08147737 _cell_length_b 7.08147737 _cell_length_c 7.08147737 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo(PbO2)2 _chemical_formula_sum 'Mo2 Pb4 O8' _cell_volume 251.10572618 _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 Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 2.50368033 2.50368033 2.50368033 1 O O2 1 6.05917744 6.05917744 8.96290456 1 O O3 1 3.55549711 6.45922423 6.45922423 1 O O4 1 3.55549711 3.55549711 3.55549711 1 O O5 1 6.45922423 3.55549711 6.45922423 1 O O6 1 6.05917744 8.96290456 6.05917744 1 O O7 1 8.96290456 6.05917744 6.05917744 1 O O8 1 8.96290456 8.96290456 8.96290456 1 O O9 1 6.45922423 6.45922423 3.55549711 1 Pb Pb10 1 3.75552050 3.75552050 6.25920083 1 Pb Pb11 1 6.25920083 6.25920083 6.25920083 1 Pb Pb12 1 3.75552050 6.25920083 3.75552050 1 Pb Pb13 1 6.25920083 3.75552050 3.75552050 1 [/CIF]
Mo2O8Pb4
Fd-3m
227
cubic
m-3m
7,596.371349
false
[CIF] data_KBaIn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50884172 _cell_length_b 6.50884172 _cell_length_c 6.50884172 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaIn4 _chemical_formula_sum 'K1 Ba1 In4' _cell_volume 194.98272457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30122306 2.30122306 2.30122306 1 In In1 1 3.45256893 3.45256893 5.75232331 1 In In2 1 3.45256893 5.75232331 3.45256893 1 In In3 1 5.75232331 3.45256893 3.45256893 1 In In4 1 5.75232331 5.75232331 5.75232331 1 K K5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaIn4K
F-43m
216
cubic
-43m
5,413.813985
false
[CIF] data_Cr2AsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65389083 _cell_length_b 7.65389083 _cell_length_c 7.65389083 _cell_angle_alpha 21.93167955 _cell_angle_beta 21.93167955 _cell_angle_gamma 21.93167955 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2AsCl _chemical_formula_sum 'Cr2 As1 Cl1' _cell_volume 54.83134274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.20045610 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 -0.00000000 0.00000000 16.82186914 1 Cr Cr3 1 0.00000000 0.00000000 5.57904306 1 [/CIF]
AsClCr2
R-3m
166
trigonal
-3m
6,491.988496
false
[CIF] data_Zr2CuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26893028 _cell_length_b 3.26893028 _cell_length_c 6.44933965 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2CuNi _chemical_formula_sum 'Zr2 Cu1 Ni1' _cell_volume 68.91703194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 3.22466983 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.63446514 1.63446514 1.57808041 1 Zr Zr3 1 1.63446514 1.63446514 4.87125924 1 [/CIF]
CuNiZr2
P4/mmm
123
tetragonal
4/mmm
7,341.368549
false
[CIF] data_KTaVFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51645968 _cell_length_b 4.51645968 _cell_length_c 4.51645968 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaVFe _chemical_formula_sum 'K1 Ta1 V1 Fe1' _cell_volume 65.14474913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19361927 3.19361927 3.19361927 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.79042891 4.79042891 4.79042891 1 V V3 1 1.59680964 1.59680964 1.59680964 1 [/CIF]
FeKTaV
F-43m
216
cubic
-43m
8,330.962059
false
[CIF] data_TlZnIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74416124 _cell_length_b 5.74416124 _cell_length_c 5.74416124 _cell_angle_alpha 131.85437074 _cell_angle_beta 131.85437074 _cell_angle_gamma 70.45912993 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnIn2 _chemical_formula_sum 'Tl1 Zn1 In2' _cell_volume 103.03444070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 2.34302785 -0.00000000 2.34605144 1 In In1 1 0.00000000 2.34302785 2.34605144 1 Tl Tl2 1 0.00000000 -0.00000000 4.69210287 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2TlZn
I4/mmm
139
tetragonal
4/mmm
8,048.493706
false
[CIF] data_NbTl2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88492901 _cell_length_b 4.88492901 _cell_length_c 4.88492901 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTl2Mo _chemical_formula_sum 'Nb1 Tl2 Mo1' _cell_volume 82.42515508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72708321 1.72708322 1.72708322 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.18124965 5.18124965 5.18124965 1 Tl Tl3 1 3.45416643 3.45416643 3.45416643 1 [/CIF]
MoNbTl2
F-43m
216
cubic
-43m
12,039.927736
false
[CIF] data_LiNb2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88287721 _cell_length_b 3.88287721 _cell_length_c 4.26814531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb2Pd _chemical_formula_sum 'Li1 Nb2 Pd1' _cell_volume 64.34969761 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 1.94143860 2.13407266 1 Nb Nb2 1 1.94143860 0.00000000 2.13407266 1 Pd Pd3 1 1.94143860 1.94143860 0.00000000 1 [/CIF]
LiNb2Pd
P4/mmm
123
tetragonal
4/mmm
7,720.156188
false
[CIF] data_BaBeBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65188057 _cell_length_b 5.65188057 _cell_length_c 5.65188057 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeBiPb _chemical_formula_sum 'Ba1 Be1 Bi1 Pb1' _cell_volume 127.66267244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.99824154 1.99824154 1.99824154 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Bi Bi2 1 3.99648308 3.99648308 3.99648308 1 Pb Pb3 1 5.99472462 5.99472462 5.99472462 1 [/CIF]
BaBeBiPb
F-43m
216
cubic
-43m
7,316.827415
false
[CIF] data_KAgGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74817114 _cell_length_b 5.74817114 _cell_length_c 5.74817114 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAgGe4 _chemical_formula_sum 'K1 Ag1 Ge4' _cell_volume 134.29939957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03228540 2.03228540 2.03228540 1 Ge Ge1 1 3.05618129 3.05618129 5.07296029 1 Ge Ge2 1 3.05618129 5.07296029 3.05618129 1 Ge Ge3 1 5.07296029 3.05618129 3.05618129 1 Ge Ge4 1 5.07296029 5.07296029 5.07296029 1 K K5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGe4K
F-43m
216
cubic
-43m
5,409.77732
false
[CIF] data_MgTiMnV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33810070 _cell_length_b 4.33810070 _cell_length_c 4.33810070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiMnV _chemical_formula_sum 'Mg1 Ti1 Mn1 V1' _cell_volume 57.72765131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 3.06750042 3.06750042 3.06750042 1 Ti Ti2 1 1.53375021 1.53375021 1.53375021 1 V V3 1 4.60125063 4.60125063 4.60125063 1 [/CIF]
MgMnTiV
F-43m
216
cubic
-43m
5,121.66249
false
[CIF] data_TlBPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44963185 _cell_length_b 4.44963185 _cell_length_c 4.44963185 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBPd2 _chemical_formula_sum 'Tl1 B1 Pd2' _cell_volume 62.29558112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 1.57318243 1.57318243 1.57318243 1 Pd Pd2 1 4.71954728 4.71954728 4.71954728 1 Tl Tl3 1 3.14636485 3.14636485 3.14636485 1 [/CIF]
BPd2Tl
Fm-3m
225
cubic
m-3m
11,409.600235
false
[CIF] data_TiGeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13665757 _cell_length_b 5.13665757 _cell_length_c 5.13665757 _cell_angle_alpha 142.17746862 _cell_angle_beta 130.52712276 _cell_angle_gamma 63.91386361 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGeMo2 _chemical_formula_sum 'Ti1 Ge1 Mo2' _cell_volume 62.38036659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14940753 2.20769480 1 Mo Mo1 1 0.00000000 -0.00000000 0.07689098 1 Mo Mo2 1 1.66480836 0.00000000 2.15009782 1 Ti Ti3 1 -0.00000000 0.00000000 4.28167147 1 [/CIF]
GeMo2Ti
Imm2
44
orthorhombic
mm2
8,316.675059
false
[CIF] data_GaReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29720250 _cell_length_b 3.29720250 _cell_length_c 6.60459569 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaReBi _chemical_formula_sum 'Ga1 Re1 Bi1' _cell_volume 62.18249022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64860127 0.95182037 6.38986120 1 Ga Ga1 1 0.00000000 0.00000000 2.52780319 1 Re Re2 1 0.00000002 1.90364074 4.29152692 1 [/CIF]
BiGaRe
P3m1
156
trigonal
3m
12,415.100769
false
[CIF] data_YB2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93139892 _cell_length_b 2.93139892 _cell_length_c 5.87912082 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YB2Ru _chemical_formula_sum 'Y1 B2 Ru1' _cell_volume 50.51987093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46569946 1.46569946 1.93002618 1 B B1 1 1.46569946 1.46569946 3.94909464 1 Ru Ru2 1 0.00000000 0.00000000 2.93956041 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2RuY
P4/mmm
123
tetragonal
4/mmm
6,955.015717
false
[CIF] data_TiSiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31394899 _cell_length_b 5.31394899 _cell_length_c 5.31394899 _cell_angle_alpha 145.01160392 _cell_angle_beta 128.01244971 _cell_angle_gamma 64.20828690 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSiAu2 _chemical_formula_sum 'Ti1 Si1 Au2' _cell_volume 66.98627985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02105781 1 Au Au1 1 1.59742207 -0.00000000 2.49511776 1 Si Si2 1 0.00000000 -0.00000000 4.45679690 1 Ti Ti3 1 0.00000000 2.32896300 2.02974436 1 [/CIF]
Au2SiTi
Imm2
44
orthorhombic
mm2
11,648.108545
false
[CIF] data_TaSiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93015515 _cell_length_b 2.93015515 _cell_length_c 7.95583445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSiGe2 _chemical_formula_sum 'Ta1 Si1 Ge2' _cell_volume 68.30727664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46507758 1.46507758 5.95707353 1 Ge Ge1 1 1.46507758 1.46507758 1.99876092 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 3.97791723 1 [/CIF]
Ge2SiTa
P4/mmm
123
tetragonal
4/mmm
8,613.3021
false
[CIF] data_SbAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46156735 _cell_length_b 6.87966358 _cell_length_c 4.34160783 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAs2 _chemical_formula_sum 'Sb2 As4' _cell_volume 163.13046978 _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 As As0 1 0.96435594 4.16141741 0.00000000 1 As As1 1 4.49721141 2.71824617 0.00000000 1 As As2 1 3.69513961 6.15807796 2.17080392 1 As As3 1 1.76642774 0.72158562 2.17080392 1 Sb Sb4 1 0.00000000 0.00000000 0.00000000 1 Sb Sb5 1 2.73078368 3.43983179 2.17080392 1 [/CIF]
As4Sb2
Pnnm
58
orthorhombic
mmm
5,529.411211
false
[CIF] data_SnPRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99150249 _cell_length_b 6.99150249 _cell_length_c 3.61509654 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPRu _chemical_formula_sum 'Sn3 P3 Ru3' _cell_volume 153.03528078 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 3.49575125 2.01827292 1.80754827 1 P P1 1 -0.00000000 4.03654585 1.80754827 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 -2.67221605 4.62841397 1.80754827 1 Ru Ru4 1 0.82353520 1.42640480 1.80754827 1 Ru Ru5 1 5.34443210 0.00000000 1.80754827 1 Sn Sn6 1 -1.40805232 2.43881815 0.00000000 1 Sn Sn7 1 2.08769893 3.61600062 0.00000000 1 Sn Sn8 1 2.81610463 0.00000000 0.00000000 1 [/CIF]
P3Ru3Sn3
P-62m
189
hexagonal
-6m2
8,163.795752
false
[CIF] data_CrAg3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33581656 _cell_length_b 4.33581656 _cell_length_c 4.33581656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAg3C _chemical_formula_sum 'Cr1 Ag3 C1' _cell_volume 81.51033898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.16790828 2.16790828 2.16790828 1 C C1 1 0.00000000 0.00000000 0.00000000 1 Ag Ag2 1 0.00000000 2.16790828 0.00000000 1 Ag Ag3 1 0.00000000 0.00000000 2.16790828 1 Ag Ag4 1 2.16790828 0.00000000 0.00000000 1 [/CIF]
CAg3Cr
Pm-3m
221
cubic
m-3m
7,896.469091
false
[CIF] data_Mn3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41068586 _cell_length_b 4.41068586 _cell_length_c 4.50688935 _cell_angle_alpha 100.57068712 _cell_angle_beta 100.57068712 _cell_angle_gamma 34.10143385 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Pd _chemical_formula_sum 'Mn3 Pd1' _cell_volume 48.24390759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.07660125 0.00000000 0.92438402 1 Mn Mn1 1 1.49223883 -0.00000000 3.49875786 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.78442004 -0.00000000 2.21157094 1 [/CIF]
Mn3Pd
C2/m
12
monoclinic
2/m
9,335.787665
false
[CIF] data_TiCdFeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45079622 _cell_length_b 4.45079622 _cell_length_c 4.45079622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdFeIr _chemical_formula_sum 'Ti1 Cd1 Fe1 Ir1' _cell_volume 62.34449828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.72078229 4.72078229 4.72078229 1 Fe Fe1 1 1.57359410 1.57359410 1.57359410 1 Ir Ir2 1 3.14718819 3.14718819 3.14718819 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdFeIrTi
F-43m
216
cubic
-43m
10,876.092377
false
[CIF] data_HfNb2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93531546 _cell_length_b 2.93531546 _cell_length_c 7.26076888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb2C _chemical_formula_sum 'Hf1 Nb2 C1' _cell_volume 62.55934266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 3.63038444 1 Nb Nb2 1 1.46765773 1.46765773 5.98292714 1 Nb Nb3 1 1.46765773 1.46765773 1.27784174 1 [/CIF]
CHfNb2
P4/mmm
123
tetragonal
4/mmm
9,988.650123
false
[CIF] data_BaHg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69916991 _cell_length_b 5.69916991 _cell_length_c 5.69916991 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHg2Br _chemical_formula_sum 'Ba1 Hg2 Br1' _cell_volume 130.89402320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01496085 2.01496085 2.01496085 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 6.04488254 6.04488254 6.04488254 1 Hg Hg3 1 4.02992169 4.02992169 4.02992169 1 [/CIF]
BaBrHg2
F-43m
216
cubic
-43m
7,845.24457
false
[CIF] data_HfTa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91395121 _cell_length_b 2.91395121 _cell_length_c 8.75442285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTa2Ge _chemical_formula_sum 'Hf1 Ta2 Ge1' _cell_volume 74.33478189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.31486759 1 Hf Hf1 1 1.45697561 1.45697561 6.48667610 1 Ta Ta2 1 0.00000000 0.00000000 0.00092954 1 Ta Ta3 1 1.45697561 1.45697561 2.32916095 1 [/CIF]
GeHfTa2
P4mm
99
tetragonal
4mm
13,694.17112
false
[CIF] data_HfMnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08226003 _cell_length_b 5.08226003 _cell_length_c 3.54650869 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnPb2 _chemical_formula_sum 'Hf1 Mn1 Pb2' _cell_volume 91.60407457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.54113002 2.54113002 0.00000000 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 0.00000000 2.54113002 1.77325435 1 Pb Pb3 1 2.54113002 0.00000000 1.77325435 1 [/CIF]
HfMnPb2
P4/mmm
123
tetragonal
4/mmm
11,743.405326
false
[CIF] data_NbCd3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42797222 _cell_length_b 5.42797222 _cell_length_c 5.42797222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCd3Br _chemical_formula_sum 'Nb1 Cd3 Br1' _cell_volume 159.92370730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.71398611 2.71398611 2.71398611 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 0.00000000 2.71398611 0.00000000 1 Cd Cd3 1 0.00000000 0.00000000 2.71398611 1 Cd Cd4 1 2.71398611 0.00000000 0.00000000 1 [/CIF]
BrCd3Nb
Pm-3m
221
cubic
m-3m
5,295.94375
false
[CIF] data_CoRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20160137 _cell_length_b 2.63042837 _cell_length_c 4.56200966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRe _chemical_formula_sum 'Co2 Re2' _cell_volume 50.41938297 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.15120103 0.00000000 3.00868921 1 Co Co1 1 1.05040034 0.00000000 1.55332045 1 Re Re2 1 3.15120103 1.31521419 0.79692109 1 Re Re3 1 1.05040034 1.31521419 3.76508857 1 [/CIF]
Co2Re2
Pmma
51
orthorhombic
mmm
16,147.157964
false
[CIF] data_TiVIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84603331 _cell_length_b 3.60719344 _cell_length_c 5.67776734 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.82356199 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiVIr2 _chemical_formula_sum 'Ti1 V1 Ir2' _cell_volume 58.28303217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36054662 1.80359672 4.23152981 1 Ir Ir1 1 1.40387801 1.80359672 1.44565101 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 -0.04080433 0.00000000 2.83859041 1 [/CIF]
Ir2TiV
P2/m
10
monoclinic
2/m
13,768.038827
false
[CIF] data_VNiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17302560 _cell_length_b 3.17302560 _cell_length_c 6.14345194 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNiAg2 _chemical_formula_sum 'V1 Ni1 Ag2' _cell_volume 61.85283600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58651280 1.58651280 1.62283608 1 Ag Ag1 1 1.58651280 1.58651280 4.52061586 1 Ni Ni2 1 0.00000000 0.00000000 3.07172597 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2NiV
P4/mmm
123
tetragonal
4/mmm
8,735.116928
false
[CIF] data_VSiRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34969975 _cell_length_b 4.34969975 _cell_length_c 4.34969975 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSiRuAu _chemical_formula_sum 'V1 Si1 Ru1 Au1' _cell_volume 58.19194055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 1.53785109 1.53785109 1.53785109 1 Ru Ru1 1 4.61355328 4.61355328 4.61355328 1 Au Au2 1 3.07570219 3.07570219 3.07570219 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRuSiV
F-43m
216
cubic
-43m
10,759.716569
false
[CIF] data_SnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86086249 _cell_length_b 4.86086249 _cell_length_c 4.86086249 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSe2 _chemical_formula_sum 'Sn1 Se2' _cell_volume 81.21289811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71857441 1.71857441 1.71857441 1 Se Se1 1 5.15572325 5.15572325 5.15572325 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Se2Sn
Fm-3m
225
cubic
m-3m
5,656.181871
false
[CIF] data_ScTaBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83444865 _cell_length_b 2.83444865 _cell_length_c 7.18397102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaBe2 _chemical_formula_sum 'Sc1 Ta1 Be2' _cell_volume 57.71673546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.33514367 1 Be Be1 1 1.41722433 1.41722433 1.35257421 1 Sc Sc2 1 0.00000000 0.00000000 3.36042486 1 Ta Ta3 1 1.41722433 1.41722433 5.72781379 1 [/CIF]
Be2ScTa
P4mm
99
tetragonal
4mm
7,017.933867
false
[CIF] data_Nb2VTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63193085 _cell_length_b 4.63193085 _cell_length_c 4.63193085 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2VTe _chemical_formula_sum 'Nb2 V1 Te1' _cell_volume 70.27020235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.63763486 1.63763486 1.63763486 1 Te Te2 1 3.27526972 3.27526972 3.27526972 1 Nb Nb3 1 4.91290457 4.91290457 4.91290457 1 [/CIF]
Nb2TeV
Fm-3m
225
cubic
m-3m
8,609.972116
false
[CIF] data_Y2FeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28191586 _cell_length_b 3.43629205 _cell_length_c 7.12083426 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.14582933 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2FeMo _chemical_formula_sum 'Y2 Fe1 Mo1' _cell_volume 80.24975911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.13331281 0.00000000 3.55792044 1 Y Y2 1 1.45878692 1.71814603 5.47783870 1 Y Y3 1 1.55650331 1.71814603 1.63800217 1 [/CIF]
FeMoY2
P2/m
10
monoclinic
2/m
6,820.474147
false
[CIF] data_Fe2TcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60739763 _cell_length_b 4.60739763 _cell_length_c 4.60739763 _cell_angle_alpha 128.75081462 _cell_angle_beta 128.75081462 _cell_angle_gamma 75.41185527 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2TcPb _chemical_formula_sum 'Fe2 Tc1 Pb1' _cell_volume 57.89074403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.99257414 0.00000000 1.82259496 1 Fe Fe1 1 0.00000000 1.99257414 1.82259496 1 Pb Pb2 1 0.00000000 -0.00000000 3.64518992 1 Tc Tc3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
Fe2PbTc
I4/mmm
139
tetragonal
4/mmm
11,984.073164
false
[CIF] data_NbSnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95803163 _cell_length_b 4.95803163 _cell_length_c 4.95803163 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSnBi _chemical_formula_sum 'Nb1 Sn1 Bi1' _cell_volume 86.18126855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75292889 1.75292889 1.75292889 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.50585779 3.50585779 3.50585779 1 [/CIF]
BiNbSn
F-43m
216
cubic
-43m
8,104.050871
false
[CIF] data_MnBeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57645567 _cell_length_b 4.57645567 _cell_length_c 4.57645567 _cell_angle_alpha 143.33274441 _cell_angle_beta 143.33274441 _cell_angle_gamma 52.82625092 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeRe _chemical_formula_sum 'Mn1 Be1 Re1' _cell_volume 33.97386974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.11930927 1 Mn Mn1 1 0.00000000 -0.00000000 2.78678170 1 Re Re2 1 0.00000000 0.00000000 5.48878467 1 [/CIF]
BeMnRe
I4mm
107
tetragonal
4mm
12,226.921789
false
[CIF] data_YZr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61630286 _cell_length_b 9.61630286 _cell_length_c 9.61630286 _cell_angle_alpha 19.91979133 _cell_angle_beta 19.91979133 _cell_angle_gamma 19.91979133 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr2Ru _chemical_formula_sum 'Y1 Zr2 Ru1' _cell_volume 90.29459536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 -0.00000000 0.00000000 13.99277249 1 Y Y1 1 -0.00000000 0.00000000 6.71950340 1 Zr Zr2 1 0.00000000 -0.00000000 0.14565195 1 Zr Zr3 1 -0.00000000 -0.00000000 21.54364552 1 [/CIF]
RuYZr2
R3m
160
trigonal
3m
6,848.963102
false
[CIF] data_YCdB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14242993 _cell_length_b 6.14242993 _cell_length_c 6.14242993 _cell_angle_alpha 150.47300649 _cell_angle_beta 150.47300649 _cell_angle_gamma 42.24752150 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCdB _chemical_formula_sum 'Y1 Cd1 B1' _cell_volume 56.15278833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05228337 1 Cd Cd1 1 -0.00000000 0.00000000 4.11605296 1 Y Y2 1 0.00000000 -0.00000000 7.29103221 1 [/CIF]
BCdY
I4mm
107
tetragonal
4mm
6,273.002509
false
[CIF] data_YAlSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14439996 _cell_length_b 6.14439996 _cell_length_c 6.14439996 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlSn4 _chemical_formula_sum 'Y1 Al1 Sn4' _cell_volume 164.03005697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43197547 5.43197547 3.25751829 1 Sn Sn2 1 5.43197547 3.25751829 5.43197547 1 Sn Sn3 1 3.25751829 5.43197547 5.43197547 1 Sn Sn4 1 3.25751829 3.25751829 3.25751829 1 Y Y5 1 6.51712032 6.51712032 6.51712032 1 [/CIF]
AlSn4Y
F-43m
216
cubic
-43m
5,980.159518
false
[CIF] data_TcGe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82811686 _cell_length_b 2.82811686 _cell_length_c 7.92812341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcGe2Rh _chemical_formula_sum 'Tc1 Ge2 Rh1' _cell_volume 63.41107310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41405843 1.41405843 7.70128902 1 Ge Ge1 1 0.00000000 0.00000000 2.23875617 1 Rh Rh2 1 1.41405843 1.41405843 4.03243662 1 Tc Tc3 1 0.00000000 0.00000000 5.84782672 1 [/CIF]
Ge2RhTc
P4mm
99
tetragonal
4mm
9,089.308062
false
[CIF] data_SnCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94930418 _cell_length_b 6.74227300 _cell_length_c 10.02756792 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.91866108 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnCl4 _chemical_formula_sum 'Sn4 Cl16' _cell_volume 655.63248740 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 6.76000227 0.56808997 0.52161364 1 Cl Cl1 1 1.71517060 2.70168994 0.69297004 1 Cl Cl2 1 5.15871500 3.86716000 1.81082522 1 Cl Cl3 1 0.27082337 6.16547997 1.87612201 1 Cl Cl4 1 8.55756125 2.79434347 3.01075521 1 Cl Cl5 1 3.66966962 0.49602350 3.07605200 1 Cl Cl6 1 7.11321402 6.07282644 4.19390718 1 Cl Cl7 1 2.06838236 3.93922647 4.36526357 1 Cl Cl8 1 5.63908271 2.80304653 5.40849086 1 Cl Cl9 1 0.59425105 0.66944656 5.57984726 1 Cl Cl10 1 4.03779545 6.24624950 6.69770244 1 Cl Cl11 1 -0.85009618 3.94792953 6.76299923 1 Cl Cl12 1 7.43664170 0.57679303 7.89763242 1 Cl Cl13 1 2.54875007 2.87511300 7.96292922 1 Cl Cl14 1 5.99229447 4.04058306 9.08078440 1 Cl Cl15 1 0.94746280 6.17418303 9.25214079 1 Sn Sn16 1 2.21895007 0.52146000 1.27362517 1 Sn Sn17 1 6.60943456 3.89259650 3.61325204 1 Sn Sn18 1 1.09803051 2.84967650 6.16050239 1 Sn Sn19 1 5.48851501 6.22081300 8.50012926 1 [/CIF]
Cl16Sn4
P2_1/c
14
monoclinic
2/m
2,639.325946
false
[CIF] data_LaV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04238442 _cell_length_b 7.55410518 _cell_length_c 4.67161379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaV2 _chemical_formula_sum 'La2 V4' _cell_volume 107.36532612 _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 La La0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.52119221 3.77705259 2.33580690 1 V V2 1 0.38701728 2.58889662 0.00000000 1 V V3 1 1.13417493 6.36594921 2.33580690 1 V V4 1 1.90820949 1.18815597 2.33580690 1 V V5 1 2.65536714 4.96520856 0.00000000 1 [/CIF]
La2V4
Pnnm
58
orthorhombic
mmm
7,448.189759
false
[CIF] data_EuU2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01556044 _cell_length_b 5.01556044 _cell_length_c 5.01556044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuU2Pt _chemical_formula_sum 'Eu1 U2 Pt1' _cell_volume 89.21613552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pt Pt1 1 3.54653680 3.54653680 3.54653680 1 U U2 1 1.77326840 1.77326840 1.77326840 1 U U3 1 5.31980520 5.31980520 5.31980520 1 [/CIF]
EuPtU2
Fm-3m
225
cubic
m-3m
15,320.09162
false
[CIF] data_Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72903438 _cell_length_b 2.72903438 _cell_length_c 4.40311409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rh _chemical_formula_sum Rh2 _cell_volume 28.39936203 _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 Rh Rh0 1 0.00000000 1.57560873 1.10077852 1 Rh Rh1 1 1.36451719 0.78780437 3.30233557 1 [/CIF]
Rh2
P6_3/mmc
194
hexagonal
6/mmm
12,033.97476
false
[CIF] data_SrAl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93368525 _cell_length_b 4.93368525 _cell_length_c 4.93368525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAl2Au _chemical_formula_sum 'Sr1 Al2 Au1' _cell_volume 84.91791506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74432115 1.74432115 1.74432115 1 Al Al1 1 5.23296345 5.23296345 5.23296345 1 Au Au2 1 3.48864230 3.48864230 3.48864230 1 Sr Sr3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Al2AuSr
Fm-3m
225
cubic
m-3m
6,620.215688
false
[CIF] data_MgNi(GeO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.80003396 _cell_length_b 8.98574600 _cell_length_c 5.41247456 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.31455914 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi(GeO3)2 _chemical_formula_sum 'Mg4 Ni4 Ge8 O24' _cell_volume 463.81432437 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.85678190 4.58088838 2.32149402 1 Mg Mg1 1 7.32001368 0.08801538 0.31200065 1 Mg Mg2 1 6.69677530 4.40485762 2.94549531 1 Mg Mg3 1 1.23354352 8.89773062 4.95498868 1 Ni Ni4 1 1.21318028 3.08284771 5.00877518 1 Ni Ni5 1 6.71713855 7.57572071 2.89170882 1 Ni Ni6 1 7.34037692 5.90289829 0.25821415 1 Ni Ni7 1 1.83641866 1.41002529 2.37528051 1 Ge Ge8 1 -0.48495672 5.93128426 4.35597398 1 Ge Ge9 1 8.41527554 1.43841126 3.54451001 1 Ge Ge10 1 9.03851392 3.05446174 0.91101534 1 Ge Ge11 1 0.13828166 7.54733474 1.72247932 1 Ge Ge12 1 4.22106410 5.88825152 1.21884980 1 Ge Ge13 1 4.95573148 1.39537852 1.41464486 1 Ge Ge14 1 4.33249310 3.09749448 4.04813953 1 Ge Ge15 1 3.59782572 7.59036748 3.85234446 1 O O16 1 3.16875682 6.38350092 2.61469678 1 O O17 1 6.00803876 1.89062792 0.01879788 1 O O18 1 5.38480038 2.60224508 2.65229255 1 O O19 1 2.54551844 7.09511808 5.24819144 1 O O20 1 0.87548260 6.08741160 0.90378903 1 O O21 1 8.30131298 1.59453860 1.72970563 1 O O22 1 7.67807461 2.89833440 4.36320029 1 O O23 1 0.25224422 7.39120740 3.53728370 1 O O24 1 2.82890498 0.13747293 3.61953827 1 O O25 1 5.10141384 4.63034593 4.28094572 1 O O26 1 5.72465222 8.84827307 1.64745106 1 O O27 1 3.45214336 4.35540007 0.98604361 1 O O28 1 1.09037227 8.87638049 1.17736699 1 O O29 1 8.08642331 4.38350749 1.45612767 1 O O30 1 7.46318493 0.10936551 4.08962233 1 O O31 1 0.46713389 4.60223851 3.81086166 1 O O32 1 7.57417109 5.94912097 4.01611623 1 O O33 1 0.35614774 1.45624797 3.88436776 1 O O34 1 0.97938611 3.03662503 1.25087310 1 O O35 1 8.19740947 7.52949803 1.38262157 1 O O36 1 5.90137998 5.92548846 1.72375393 1 O O37 1 3.27541560 1.43261546 0.90974073 1 O O38 1 2.65217722 3.06025754 3.54323540 1 O O39 1 5.27814160 7.55313054 4.35724860 1 [/CIF]
Ge8Mg4Ni4O24
P2_1/c
14
monoclinic
2/m
4,643.849449
false
[CIF] data_Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47626129 _cell_length_b 2.47626129 _cell_length_c 2.47626129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn _chemical_formula_sum Mn1 _cell_volume 10.73678874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Mn
Fm-3m
225
cubic
m-3m
8,496.653158
false
[CIF] data_Sr2HgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02792650 _cell_length_b 6.02792650 _cell_length_c 6.02792650 _cell_angle_alpha 127.53211032 _cell_angle_beta 127.53211032 _cell_angle_gamma 77.38422629 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2HgTe _chemical_formula_sum 'Sr2 Hg1 Te1' _cell_volume 133.61765634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.70489589 1 Sr Sr1 1 -0.00000000 2.66456869 2.35244795 1 Sr Sr2 1 2.66456869 0.00000000 2.35244795 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSr2Te
I4/mmm
139
tetragonal
4/mmm
6,256.397584
false
[CIF] data_CaAlAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41335805 _cell_length_b 4.47472355 _cell_length_c 6.13223106 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAlAs2 _chemical_formula_sum 'Ca1 Al1 As2' _cell_volume 93.66267712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85666598 1 As As1 1 1.70667903 2.23736178 5.60320165 1 As As2 1 0.00000000 0.00000000 2.33680604 1 Ca Ca3 1 1.70667903 2.23736178 2.53390404 1 [/CIF]
AlAs2Ca
Pmm2
25
orthorhombic
mm2
3,845.453517
false
[CIF] data_CaYCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87060029 _cell_length_b 4.87060029 _cell_length_c 4.87060029 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYCu _chemical_formula_sum 'Ca1 Y1 Cu1' _cell_volume 81.70195934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.72201724 1.72201725 1.72201725 1 Y Y2 1 5.16605174 5.16605173 5.16605173 1 [/CIF]
CaCuY
F-43m
216
cubic
-43m
3,913.043702
false
[CIF] data_ScCu2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20919450 _cell_length_b 4.30643647 _cell_length_c 5.30715090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCu2Sb _chemical_formula_sum 'Sc1 Cu2 Sb1' _cell_volume 73.34584558 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60459725 2.15321824 4.12505989 1 Cu Cu1 1 1.60459725 2.15321824 1.18209102 1 Sb Sb2 1 1.60459725 0.00000000 2.65357545 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2SbSc
Pmmm
47
orthorhombic
mmm
6,651.784753
false
[CIF] data_ScCu2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80079448 _cell_length_b 4.80079448 _cell_length_c 4.75758904 _cell_angle_alpha 102.63458330 _cell_angle_beta 102.63458330 _cell_angle_gamma 33.66691198 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCu2Re _chemical_formula_sum 'Sc1 Cu2 Re1' _cell_volume 59.17810786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.10461733 -0.00000000 0.00759741 1 Cu Cu1 1 6.53583832 -0.00000000 1.21876721 1 Re Re2 1 4.00640157 -0.00000000 2.18246089 1 Sc Sc3 1 1.50755435 0.00000000 3.53871639 1 [/CIF]
Cu2ReSc
Cm
8
monoclinic
m
10,052.641063
false
[CIF] data_CoSnB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19974566 _cell_length_b 3.19974566 _cell_length_c 5.35096732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSnB2 _chemical_formula_sum 'Co1 Sn1 B2' _cell_volume 47.44537107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.95092838 1 B B1 1 -0.00000002 1.84737403 1.10876982 1 Co Co2 1 1.59987281 0.92368702 2.02376292 1 Sn Sn3 1 0.00000000 0.00000000 3.94298987 1 [/CIF]
B2CoSn
P3m1
156
trigonal
3m
6,966.945098
false
[CIF] data_Si2GeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12721040 _cell_length_b 3.70840849 _cell_length_c 6.77508380 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.71769560 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2GeBr _chemical_formula_sum 'Si2 Ge1 Br1' _cell_volume 99.31243184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.09514843 1.85420425 3.61951548 1 Ge Ge1 1 3.06760203 0.00000000 1.00639577 1 Si Si2 1 1.98470283 1.85420425 5.75350422 1 Si Si3 1 -0.70166654 0.00000000 5.84239971 1 [/CIF]
BrGeSi2
Pm
6
monoclinic
m
3,489.788789
false
[CIF] data_SrRe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01636361 _cell_length_b 3.01636361 _cell_length_c 8.00241473 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRe2P _chemical_formula_sum 'Sr1 Re2 P1' _cell_volume 72.80956572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.50818180 1.50818180 1.31740953 1 Re Re2 1 1.50818180 1.50818180 6.68500520 1 Sr Sr3 1 0.00000000 0.00000000 4.00120736 1 [/CIF]
PRe2Sr
P4/mmm
123
tetragonal
4/mmm
11,198.220491
false
[CIF] data_HfSi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75993712 _cell_length_b 4.06071219 _cell_length_c 4.35953792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSi2Ag _chemical_formula_sum 'Hf1 Si2 Ag1' _cell_volume 66.56152304 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87996856 0.00000000 2.17976896 1 Hf Hf1 1 1.87996856 2.03035610 0.00000000 1 Si Si2 1 0.00000000 2.03035610 2.17976896 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHfSi2
Pmmm
47
orthorhombic
mmm
8,545.223908
false
[CIF] data_PrCrGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18380704 _cell_length_b 6.18380704 _cell_length_c 5.75780595 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrCrGe3 _chemical_formula_sum 'Pr2 Cr2 Ge6' _cell_volume 190.67752874 _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 Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 0.00000000 0.00000000 2.87890297 1 Ge Ge2 1 -1.31106597 4.32716695 4.31835446 1 Ge Ge3 1 3.09190352 3.29899991 1.43945149 1 Ge Ge4 1 0.00000000 2.05633408 4.31835446 1 Ge Ge5 1 4.40296949 1.02816704 1.43945149 1 Ge Ge6 1 1.78083755 1.02816704 1.43945149 1 Ge Ge7 1 1.31106597 4.32716695 4.31835446 1 Pr Pr8 1 3.09190352 1.78511133 4.31835446 1 Pr Pr9 1 -0.00000000 3.57022266 1.43945149 1 [/CIF]
Cr2Ge6Pr2
P6_3/mmc
194
hexagonal
6/mmm
7,155.419842
false
[CIF] data_SrSnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36576410 _cell_length_b 5.36576410 _cell_length_c 5.91655875 _cell_angle_alpha 100.51705382 _cell_angle_beta 100.51705382 _cell_angle_gamma 37.31837241 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSnMo2 _chemical_formula_sum 'Sr1 Sn1 Mo2' _cell_volume 101.33662515 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.36470361 0.00000000 2.11473102 1 Mo Mo1 1 1.66290746 0.00000000 3.69099090 1 Sn Sn2 1 4.51380553 0.00000000 2.90286096 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2SnSr
C2/m
12
monoclinic
2/m
6,525.870408
false
[CIF] data_LiZn2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65384717 _cell_length_b 4.65384717 _cell_length_c 4.65384717 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZn2In _chemical_formula_sum 'Li1 Zn2 In1' _cell_volume 71.27239497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29076689 3.29076689 3.29076689 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.93615033 4.93615034 4.93615034 1 Zn Zn3 1 1.64538345 1.64538345 1.64538344 1 [/CIF]
InLiZn2
Fm-3m
225
cubic
m-3m
5,883.310989
false
[CIF] data_Zr3CrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71315540 _cell_length_b 4.71315540 _cell_length_c 4.71315540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3CrRe _chemical_formula_sum 'Zr3 Cr1 Re1' _cell_volume 104.69725084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.35657770 2.35657770 2.35657770 1 Zr Zr1 1 0.00000000 2.35657770 0.00000000 1 Zr Zr2 1 0.00000000 0.00000000 2.35657770 1 Zr Zr3 1 2.35657770 0.00000000 0.00000000 1 Cr Cr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrReZr3
Pm-3m
221
cubic
m-3m
8,118.537917
false
[CIF] data_ZnNi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45897194 _cell_length_b 4.45897194 _cell_length_c 4.45897194 _cell_angle_alpha 121.43166036 _cell_angle_beta 121.43166036 _cell_angle_gamma 87.53767733 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNi2Bi _chemical_formula_sum 'Zn1 Ni2 Bi1' _cell_volume 61.27065805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21998664 1 Ni Ni1 1 0.00000000 2.18106818 1.60999332 1 Ni Ni2 1 2.18106818 0.00000000 1.60999332 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiNi2Zn
I4/mmm
139
tetragonal
4/mmm
10,617.015559
false
[CIF] data_LiHfZrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03295094 _cell_length_b 5.03295094 _cell_length_c 5.03295094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfZrBi _chemical_formula_sum 'Li1 Hf1 Zr1 Bi1' _cell_volume 90.14737677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77941687 1.77941687 1.77941687 1 Hf Hf1 1 5.33825061 5.33825061 5.33825061 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.55883374 3.55883374 3.55883374 1 [/CIF]
BiHfLiZr
F-43m
216
cubic
-43m
8,945.535441
false
[CIF] data_KHfW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78707406 _cell_length_b 2.78707406 _cell_length_c 10.91325728 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfW2 _chemical_formula_sum 'K1 Hf1 W2' _cell_volume 84.77180145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.45662864 1 K K1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.39353703 1.39353703 3.13177930 1 W W3 1 1.39353703 1.39353703 7.78147798 1 [/CIF]
HfKW2
P4/mmm
123
tetragonal
4/mmm
11,464.435814
false
[CIF] data_Li3Cr(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91880244 _cell_length_b 4.91880244 _cell_length_c 6.25142771 _cell_angle_alpha 90.43175052 _cell_angle_beta 90.43175052 _cell_angle_gamma 66.72140874 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Cr(PO4)2 _chemical_formula_sum 'Li3 Cr1 P2 O8' _cell_volume 138.93253377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64080610 0.00000000 4.83690159 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 5.51940914 -0.00000000 1.41427170 1 Cr Cr3 1 -0.02820017 -0.00000000 3.12558664 1 P P4 1 2.86263624 0.00000000 1.66517816 1 P P5 1 5.29757899 0.00000000 4.58599512 1 O O6 1 1.96613610 0.00000000 2.93213783 1 O O7 1 6.13128319 0.00000000 5.84717559 1 O O8 1 3.83121395 -1.25167387 1.69716854 1 O O9 1 3.83121395 1.25167387 1.69716854 1 O O10 1 4.32900129 -1.25167387 4.55400474 1 O O11 1 4.32900129 1.25167387 4.55400474 1 O O12 1 6.19407914 0.00000000 3.31903545 1 O O13 1 2.02893205 -0.00000000 0.40399770 1 [/CIF]
Cr2Li6O16P4
C2/m
12
monoclinic
2/m
3,140.562321
false
[CIF] data_ZnTc2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70528648 _cell_length_b 2.70528648 _cell_length_c 8.97851443 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.32733227 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTc2Ir _chemical_formula_sum 'Zn1 Tc2 Ir1' _cell_volume 58.89416578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42702413 0.00000000 2.27724899 1 Tc Tc1 1 0.00000000 0.00000000 8.93384138 1 Tc Tc2 1 1.42702413 0.00000000 6.75911060 1 Zn Zn3 1 0.00000000 0.00000000 4.47608511 1 [/CIF]
IrTc2Zn
Cmm2
35
orthorhombic
mm2
12,840.407704
false
[CIF] data_AsRh2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96551377 _cell_length_b 2.96551377 _cell_length_c 7.05343395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.64437083 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsRh2Au _chemical_formula_sum 'As1 Rh2 Au1' _cell_volume 61.96376327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 0.00000000 0.00000000 3.52671697 1 Rh Rh2 1 2.04799099 0.00000000 5.55919733 1 Rh Rh3 1 2.04799099 0.00000000 1.49423662 1 [/CIF]
AsAuRh2
Cmmm
65
orthorhombic
mmm
12,801.645516
false
[CIF] data_Tl2HgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48952710 _cell_length_b 4.90877450 _cell_length_c 6.91199090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2HgPb _chemical_formula_sum 'Tl2 Hg1 Pb1' _cell_volume 118.39757710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45249066 1 Pb Pb1 1 1.74476355 2.45438725 5.15611795 1 Tl Tl2 1 0.00000000 0.00000000 6.90151522 1 Tl Tl3 1 1.74476355 2.45438725 1.76985342 1 [/CIF]
HgPbTl2
Pmm2
25
orthorhombic
mm2
11,452.296302
false
[CIF] data_HfMgCoHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64724130 _cell_length_b 4.64724130 _cell_length_c 4.64724130 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgCoHg _chemical_formula_sum 'Hf1 Mg1 Co1 Hg1' _cell_volume 70.96932466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.64304792 1.64304792 1.64304792 1 Hf Hf1 1 3.28609584 3.28609584 3.28609584 1 Hg Hg2 1 4.92914376 4.92914376 4.92914376 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoHfHgMg
F-43m
216
cubic
-43m
10,817.313363
false
[CIF] data_SbTe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24511504 _cell_length_b 5.24511504 _cell_length_c 4.24885199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.28705477 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbTe2P _chemical_formula_sum 'Sb1 Te2 P1' _cell_volume 110.33070635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 3.03514748 0.00000000 0.00000000 1 Te Te2 1 3.03514748 2.28057804 2.12442599 1 Te Te3 1 3.03514748 -2.28057804 2.12442599 1 [/CIF]
PSbTe2
Cmmm
65
orthorhombic
mmm
6,139.937968
false
[CIF] data_AlCo2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14794759 _cell_length_b 3.14794759 _cell_length_c 5.12667353 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCo2Ge _chemical_formula_sum 'Al1 Co2 Ge1' _cell_volume 50.80315087 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.01233716 1 Co Co1 1 1.57397379 1.57397379 4.98428012 1 Co Co2 1 0.00000000 0.00000000 1.42266611 1 Ge Ge3 1 1.57397379 1.57397379 2.39740044 1 [/CIF]
AlCo2Ge
P4mm
99
tetragonal
4mm
7,108.755968
false
[CIF] data_ZrTaV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58445427 _cell_length_b 4.58445427 _cell_length_c 3.22374196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaV2 _chemical_formula_sum 'Zr1 Ta1 V2' _cell_volume 67.75409700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 2.29222713 2.29222713 0.00000000 1 V V1 1 2.29222713 0.00000000 1.61187098 1 V V2 1 0.00000000 2.29222713 1.61187098 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TaV2Zr
P4/mmm
123
tetragonal
4/mmm
9,167.4732
false
[CIF] data_ScTl2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42160377 _cell_length_b 4.42160377 _cell_length_c 4.23080941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTl2V _chemical_formula_sum 'Sc1 Tl2 V1' _cell_volume 82.71477741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 0.00000000 2.21080188 2.11540470 1 Tl Tl2 1 2.21080188 0.00000000 2.11540470 1 V V3 1 2.21080188 2.21080188 0.00000000 1 [/CIF]
ScTl2V
P4/mmm
123
tetragonal
4/mmm
10,131.373543
false
[CIF] data_Co2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12671044 _cell_length_b 5.12671044 _cell_length_c 6.27022184 _cell_angle_alpha 106.09530160 _cell_angle_beta 106.09530160 _cell_angle_gamma 30.62427668 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2Ag _chemical_formula_sum 'Co4 Ag2' _cell_volume 80.40793048 _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 Ag Ag0 1 1.82283957 -0.00000000 5.62395708 1 Ag Ag1 1 6.26429052 -0.00000000 0.38165378 1 Co Co2 1 8.58459213 0.00000000 4.09150367 1 Co Co3 1 -0.49746205 -0.00000000 1.91410718 1 Co Co4 1 2.45351470 -0.00000000 2.47838747 1 Co Co5 1 5.63361539 0.00000000 3.52722338 1 [/CIF]
Ag2Co4
C2/m
12
monoclinic
2/m
9,323.485958
false
[CIF] data_Li2B4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04282115 _cell_length_b 5.04282115 _cell_length_c 2.98916895 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.21019116 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2B4Br _chemical_formula_sum 'Li2 B4 Br1' _cell_volume 75.80957074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 4.30570998 -0.00000000 1.49458448 1 B B1 1 2.55914012 -0.00000000 1.49458448 1 B B2 1 3.43242505 1.41771501 0.00000000 1 B B3 1 3.43242505 -1.41771501 0.00000000 1 Br Br4 1 0.00000000 0.00000000 0.00000000 1 Li Li5 1 1.71621252 1.84719405 1.49458448 1 Li Li6 1 1.71621252 -1.84719405 1.49458448 1 [/CIF]
B4BrLi2
Cmmm
65
orthorhombic
mmm
3,001.516379
false
[CIF] data_TeBr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20335028 _cell_length_b 5.20335028 _cell_length_c 5.20335028 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeBr2Cl _chemical_formula_sum 'Te1 Br2 Cl1' _cell_volume 99.61716805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.67932427 3.67932427 3.67932427 1 Br Br1 1 5.51898641 5.51898641 5.51898641 1 Cl Cl2 1 0.00000000 -0.00000000 0.00000000 1 Te Te3 1 1.83966214 1.83966214 1.83966214 1 [/CIF]
Br2ClTe
F-43m
216
cubic
-43m
5,381.836425
false
[CIF] data_Au2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04137536 _cell_length_b 4.04137536 _cell_length_c 4.04137536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Au2O3 _chemical_formula_sum 'Au2 O3' _cell_volume 66.00663121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 2.02068768 2.02068768 2.02068768 1 O O2 1 2.02068768 0.00000000 2.02068768 1 O O3 1 0.00000000 2.02068768 2.02068768 1 O O4 1 2.02068768 2.02068768 0.00000000 1 [/CIF]
Au2O3
Pm-3m
221
cubic
m-3m
11,117.735265
false
[CIF] data_HfPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32178281 _cell_length_b 3.32178281 _cell_length_c 21.33320526 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPb _chemical_formula_sum 'Hf4 Pb4' _cell_volume 203.85868108 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.31969963 1 Hf Hf1 1 0.00000000 0.00000000 5.41924640 1 Hf Hf2 1 0.00000000 0.00000000 10.27150314 1 Hf Hf3 1 0.00000000 1.91783220 7.84768878 1 Pb Pb4 1 0.00000000 0.00000000 15.98649987 1 Pb Pb5 1 0.00000000 1.91783220 2.82928947 1 Pb Pb6 1 0.00000000 1.91783220 12.94258278 1 Pb Pb7 1 0.00000000 1.91783220 19.04970857 1 [/CIF]
Hf4Pb4
P3m1
156
trigonal
3m
12,566.613474
false
[CIF] data_Zr(SeCl6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.07163786 _cell_length_b 12.87663524 _cell_length_c 9.05196436 _cell_angle_alpha 70.74443991 _cell_angle_beta 68.43069768 _cell_angle_gamma 40.82486241 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(SeCl6)2 _chemical_formula_sum 'Zr2 Se4 Cl24' _cell_volume 922.96948718 _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 Cl Cl0 1 1.36471255 1.12451569 1.05766539 1 Cl Cl1 1 4.83520993 5.47086300 1.05766539 1 Cl Cl2 1 4.46467379 2.17317365 6.70055242 1 Cl Cl3 1 1.73524869 4.42220504 6.70055242 1 Cl Cl4 1 10.98143395 8.65671523 14.05934187 1 Cl Cl5 1 7.61833349 11.12942084 14.05934187 1 Cl Cl6 1 7.88147271 7.83173150 8.41645483 1 Cl Cl7 1 4.51837225 5.35902589 8.41645483 1 Cl Cl8 1 4.67355377 5.65675032 4.55462862 1 Cl Cl9 1 7.72629119 7.53400707 4.55462862 1 Cl Cl10 1 7.77351501 10.83169641 10.19751566 1 Cl Cl11 1 4.62632995 2.35906097 10.19751566 1 Cl Cl12 1 8.00028604 7.59639704 19.60484915 1 Cl Cl13 1 10.59948140 12.18973903 19.60484915 1 Cl Cl14 1 4.90032480 8.89204969 13.96196211 1 Cl Cl15 1 7.49952016 4.29870770 13.96196211 1 Cl Cl16 1 4.50755357 8.54637211 6.72264478 1 Cl Cl17 1 7.89229139 4.64438528 6.72264478 1 Cl Cl18 1 7.60751481 7.94207462 12.36553181 1 Cl Cl19 1 4.79233015 5.24868276 12.36553181 1 Cl Cl20 1 7.94823255 7.70464857 16.32342062 1 Cl Cl21 1 4.45161242 5.48610881 16.32342062 1 Cl Cl22 1 4.84827130 8.78379815 10.68053358 1 Cl Cl23 1 7.55157366 4.40695923 10.68053358 1 Se Se24 1 3.03781173 6.90450581 6.64610816 1 Se Se25 1 9.36203323 6.28625158 6.64610816 1 Se Se26 1 6.13777297 9.58394092 12.28899519 1 Se Se27 1 6.26207199 3.60681646 12.28899519 1 Zr Zr28 1 6.19992248 6.59537869 2.85205957 1 Zr Zr29 1 3.09996124 3.29768935 8.49494660 1 [/CIF]
Cl24Se4Zr2
Fdd2
43
orthorhombic
mm2
2,427.309808
false
[CIF] data_ZrMn2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92489025 _cell_length_b 4.15698264 _cell_length_c 5.27039674 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.34943288 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMn2Ga _chemical_formula_sum 'Zr1 Mn2 Ga1' _cell_volume 62.08207762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.57443945 0.00000000 3.93400605 1 Mn Mn1 1 0.02334006 2.07849132 0.12207359 1 Mn Mn2 1 2.14660483 0.00000000 1.04138195 1 Zr Zr3 1 0.83254713 2.07849132 2.56149690 1 [/CIF]
GaMn2Zr
Pm
6
monoclinic
m
7,243.834909
false
[CIF] data_LiCaMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63857820 _cell_length_b 3.63857820 _cell_length_c 7.80700181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaMg2 _chemical_formula_sum 'Li1 Ca1 Mg2' _cell_volume 103.35885900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 3.90350091 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.81928910 1.81928910 1.59559979 1 Mg Mg3 1 1.81928910 1.81928910 6.21140202 1 [/CIF]
CaLiMg2
P4/mmm
123
tetragonal
4/mmm
1,536.387169
false
[CIF] data_Be3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97604395 _cell_length_b 4.59149533 _cell_length_c 6.77950795 _cell_angle_alpha 59.78470036 _cell_angle_beta 41.60057204 _cell_angle_gamma 78.61472760 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3Ru2 _chemical_formula_sum 'Be6 Ru4' _cell_volume 101.40468543 _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 Be Be0 1 4.50760713 6.77897657 1.73758348 1 Be Be1 1 3.40825747 4.22947473 1.73758348 1 Be Be2 1 6.48657328 6.98158756 2.90126313 1 Be Be3 1 5.38722362 9.53108939 2.90126313 1 Be Be4 1 3.95793230 5.50422565 0.02842055 1 Be Be5 1 1.97896615 2.75211283 1.19210020 1 Ru Ru6 1 2.56683681 6.10964413 2.90292484 1 Ru Ru7 1 5.34902779 4.89880717 2.90292484 1 Ru Ru8 1 4.54580296 7.65092000 4.06660449 1 Ru Ru9 1 7.32799394 8.86175695 4.06660449 1 [/CIF]
Be6Ru4
Fdd2
43
orthorhombic
mm2
7,505.700672
false
[CIF] data_KLaMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27588678 _cell_length_b 5.27588678 _cell_length_c 5.27588678 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaMn2 _chemical_formula_sum 'K1 La1 Mn2' _cell_volume 103.84160779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.59592298 5.59592298 5.59592298 1 Mn Mn2 1 3.73061532 3.73061532 3.73061532 1 Mn Mn3 1 1.86530766 1.86530766 1.86530766 1 [/CIF]
KLaMn2
F-43m
216
cubic
-43m
4,603.508788
false
[CIF] data_RbSm(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46406913 _cell_length_b 6.46406913 _cell_length_c 7.04656979 _cell_angle_alpha 104.36364519 _cell_angle_beta 104.36364519 _cell_angle_gamma 93.61601754 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbSm(CO3)2 _chemical_formula_sum 'Rb2 Sm2 C4 O12' _cell_volume 273.86855759 _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 C C0 1 5.79271626 -1.14720262 1.67900972 1 C C1 1 1.77888115 -1.14720262 1.60470696 1 C C2 1 4.51571145 1.14720262 4.96272639 1 C C3 1 0.50187634 1.14720262 4.88842363 1 O O4 1 4.89021082 -1.13836796 0.72036843 1 O O5 1 1.83101720 -0.17791586 0.75166356 1 O O6 1 5.34301335 2.63232098 1.51287020 1 O O7 1 2.22858407 2.63232098 1.77084647 1 O O8 1 5.74058022 -0.17791586 2.53205311 1 O O9 1 2.68138660 -1.13836796 2.56334824 1 O O10 1 3.61320601 1.13836796 4.00408510 1 O O11 1 0.55401239 0.17791586 4.03538024 1 O O12 1 4.06600854 -2.63232098 4.79658687 1 O O13 1 0.95157926 -2.63232098 5.05456314 1 O O14 1 4.46357541 0.17791586 5.81576978 1 O O15 1 1.40438179 1.13836796 5.84706491 1 Rb Rb16 1 3.78579871 -3.67448225 1.64185834 1 Rb Rb17 1 2.50879390 3.67448225 4.92557501 1 Sm Sm18 1 3.78579871 0.92935247 1.64185834 1 Sm Sm19 1 2.50879390 -0.92935247 4.92557501 1 [/CIF]
C4O12Rb2Sm2
C2/c
15
monoclinic
2/m
4,315.176051
false
[CIF] data_LaHfIrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82343916 _cell_length_b 4.82343916 _cell_length_c 4.82343916 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfIrAu _chemical_formula_sum 'La1 Hf1 Ir1 Au1' _cell_volume 79.35155058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41068654 3.41068654 3.41068654 1 Hf Hf1 1 1.70534327 1.70534327 1.70534327 1 Ir Ir2 1 5.11602981 5.11602981 5.11602981 1 La La3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHfIrLa
F-43m
216
cubic
-43m
14,786.126917
false
[CIF] data_TcB2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33315208 _cell_length_b 4.33315208 _cell_length_c 4.33315208 _cell_angle_alpha 137.84031004 _cell_angle_beta 116.22067670 _cell_angle_gamma 79.44923577 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcB2Se _chemical_formula_sum 'Tc1 B2 Se1' _cell_volume 47.55975939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.16305933 1 B B1 1 -0.00000000 2.28913985 2.36959749 1 Se Se2 1 0.00000000 0.00000000 3.42204737 1 Tc Tc3 1 1.55849874 0.00000000 1.37623868 1 [/CIF]
B2SeTc
Imm2
44
orthorhombic
mm2
6,965.088841
false
[CIF] data_ZnNiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60999058 _cell_length_b 4.60999058 _cell_length_c 4.60999058 _cell_angle_alpha 147.20795357 _cell_angle_beta 132.56441781 _cell_angle_gamma 58.86471883 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiRu _chemical_formula_sum 'Zn1 Ni1 Ru1' _cell_volume 38.75212148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 -0.00000000 0.00705333 1 Ru Ru1 1 0.00000000 0.00000000 5.31716394 1 Zn Zn2 1 0.00000000 -0.00000000 2.70580012 1 [/CIF]
NiRuZn
Imm2
44
orthorhombic
mm2
9,647.45663
false
[CIF] data_SnOsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89623971 _cell_length_b 2.89623971 _cell_length_c 7.85512820 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnOsPd2 _chemical_formula_sum 'Sn1 Os1 Pd2' _cell_volume 65.89042138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 3.92756410 1 Pd Pd1 1 1.44811986 1.44811986 5.80376453 1 Pd Pd2 1 1.44811986 1.44811986 2.05136367 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsPd2Sn
P4/mmm
123
tetragonal
4/mmm
13,149.651436
false