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_Si2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93849192 _cell_length_b 2.93849192 _cell_length_c 6.46986910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2IrPd _chemical_formula_sum 'Si2 Ir1 Pd1' _cell_volume 55.86560364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 3.23493455 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.46924596 1.46924596 1.66140422 1 Si Si3 1 1.46924596 1.46924596 4.80846488 1 [/CIF]
IrPdSi2
P4/mmm
123
tetragonal
4/mmm
10,546.248618
false
[CIF] data_BaVCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21664719 _cell_length_b 3.21664719 _cell_length_c 7.22979427 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaVCr _chemical_formula_sum 'Ba1 V1 Cr1' _cell_volume 64.78335387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60832361 0.92856605 0.07654125 1 Cr Cr1 1 0.00000002 1.85713211 2.86317501 1 V V2 1 0.00000000 0.00000000 4.29007801 1 [/CIF]
BaCrV
P3m1
156
trigonal
3m
6,158.50726
false
[CIF] data_TaBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72147175 _cell_length_b 4.72147175 _cell_length_c 4.72147175 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBiAu _chemical_formula_sum 'Ta1 Bi1 Au1' _cell_volume 74.42471634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33858469 3.33858469 3.33858469 1 Bi Bi1 1 1.66929234 1.66929235 1.66929234 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBiTa
F-43m
216
cubic
-43m
13,094.599115
false
[CIF] data_YZn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33566675 _cell_length_b 3.33566675 _cell_length_c 6.23251241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.61103907 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZn2Ru _chemical_formula_sum 'Y1 Zn2 Ru1' _cell_volume 69.31971365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11625621 1 Y Y1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.32528007 0.00000000 1.87155392 1 Zn Zn3 1 2.32528007 0.00000000 4.36095849 1 [/CIF]
RuYZn2
Cmmm
65
orthorhombic
mmm
7,683.159392
false
[CIF] data_InSn3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28998515 _cell_length_b 5.28998515 _cell_length_c 5.28998515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSn3P _chemical_formula_sum 'In1 Sn3 P1' _cell_volume 148.03464231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 2.64499258 0.00000000 1 Sn Sn2 1 0.00000000 0.00000000 2.64499258 1 Sn Sn3 1 2.64499258 0.00000000 0.00000000 1 In In4 1 2.64499258 2.64499258 2.64499258 1 [/CIF]
InPSn3
Pm-3m
221
cubic
m-3m
5,630.173324
false
[CIF] data_ZrAlInRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66599044 _cell_length_b 4.66599044 _cell_length_c 4.66599044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlInRe _chemical_formula_sum 'Zr1 Al1 In1 Re1' _cell_volume 71.83176466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.29935348 3.29935348 3.29935348 1 Re Re2 1 4.94903022 4.94903022 4.94903022 1 Zr Zr3 1 1.64967674 1.64967674 1.64967674 1 [/CIF]
AlInReZr
F-43m
216
cubic
-43m
9,691.376657
false
[CIF] data_TaTiZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38739679 _cell_length_b 4.38739679 _cell_length_c 4.38739679 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiZn _chemical_formula_sum 'Ta1 Ti1 Zn1' _cell_volume 59.71806688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65353703 4.65353703 4.65353703 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.55117901 1.55117901 1.55117901 1 [/CIF]
TaTiZn
F-43m
216
cubic
-43m
8,180.473966
false
[CIF] data_TlVMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95328208 _cell_length_b 4.11502992 _cell_length_c 5.78735629 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.94193462 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVMo2 _chemical_formula_sum 'Tl1 V1 Mo2' _cell_volume 69.65824871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.03916022 2.05751496 1.15226831 1 Mo Mo1 1 1.11448596 2.05751496 4.57957915 1 Tl Tl2 1 -0.39981795 0.00000000 2.86592373 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2TlV
P2/m
10
monoclinic
2/m
10,661.586769
false
[CIF] data_Mn2SbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11316846 _cell_length_b 3.11316846 _cell_length_c 6.00495578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2SbOs _chemical_formula_sum 'Mn2 Sb1 Os1' _cell_volume 58.19893768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55658423 1.55658423 0.09839727 1 Mn Mn1 1 0.00000000 0.00000000 1.42876778 1 Os Os2 1 1.55658423 1.55658423 2.88997504 1 Sb Sb3 1 0.00000000 0.00000000 4.59029359 1 [/CIF]
Mn2OsSb
P4mm
99
tetragonal
4mm
12,036.733852
false
[CIF] data_MnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77207231 _cell_length_b 3.77207231 _cell_length_c 3.77207231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPt _chemical_formula_sum 'Mn1 Pt1' _cell_volume 37.95115790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 4.00088687 4.00088687 4.00088687 1 [/CIF]
MnPt
F-43m
216
cubic
-43m
10,939.623352
false
[CIF] data_CdSiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25517273 _cell_length_b 4.30809081 _cell_length_c 6.94632214 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.89186261 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSiSn2 _chemical_formula_sum 'Cd1 Si1 Sn2' _cell_volume 95.96414510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.59665152 0.00000000 3.42152813 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.05444864 2.15404541 1.58723773 1 Sn Sn3 1 1.00742104 2.15404541 5.25581853 1 [/CIF]
CdSiSn2
P2/m
10
monoclinic
2/m
6,539.370632
false
[CIF] data_MgCo2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64520364 _cell_length_b 4.64520364 _cell_length_c 4.16258977 _cell_angle_alpha 107.83366398 _cell_angle_beta 107.83366398 _cell_angle_gamma 34.60532161 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCo2Si _chemical_formula_sum 'Mg1 Co2 Si1' _cell_volume 48.31504524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.04238363 0.00000000 0.24511230 1 Co Co1 1 1.35805882 0.00000000 2.78470651 1 Mg Mg2 1 3.73219410 0.00000000 2.17089727 1 Si Si3 1 6.25425916 0.00000000 0.71322267 1 [/CIF]
Co2MgSi
Cm
8
monoclinic
m
5,851.556504
false
[CIF] data_CrSiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99660730 _cell_length_b 3.00481064 _cell_length_c 4.00398522 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSiB2 _chemical_formula_sum 'Cr1 Si1 B2' _cell_volume 36.05283386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 B B1 1 0.00000000 1.50240532 2.00199261 1 Cr Cr2 1 1.49830365 1.50240532 0.00000000 1 Si Si3 1 1.49830365 0.00000000 2.00199261 1 [/CIF]
B2CrSi
Pmmm
47
orthorhombic
mmm
4,684.314183
false
[CIF] data_NaInBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97755320 _cell_length_b 5.97755320 _cell_length_c 3.50480119 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.81405406 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaInBi2 _chemical_formula_sum 'Na1 In1 Bi2' _cell_volume 117.81660728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71826233 2.44547749 1.75240059 1 Bi Bi1 1 1.71826233 -2.44547749 1.75240059 1 In In2 1 3.43652466 -0.00000000 0.00000000 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2InNa
Cmmm
65
orthorhombic
mmm
7,833.152241
false
[CIF] data_Rb3CoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30870501 _cell_length_b 6.30870501 _cell_length_c 6.30870501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3CoRh _chemical_formula_sum 'Rb3 Co1 Rh1' _cell_volume 251.08493839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.15435250 3.15435250 3.15435250 1 Rb Rb2 1 0.00000000 3.15435250 0.00000000 1 Rb Rb3 1 0.00000000 0.00000000 3.15435250 1 Rb Rb4 1 3.15435250 0.00000000 0.00000000 1 [/CIF]
CoRb3Rh
Pm-3m
221
cubic
m-3m
2,766.025483
false
[CIF] data_NbSnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15865055 _cell_length_b 4.15865055 _cell_length_c 4.39310112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSnAu2 _chemical_formula_sum 'Nb1 Sn1 Au2' _cell_volume 75.97593572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07932528 0.00000000 2.19655056 1 Au Au1 1 0.00000000 2.07932528 2.19655056 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 2.07932528 2.07932528 0.00000000 1 [/CIF]
Au2NbSn
P4/mmm
123
tetragonal
4/mmm
13,234.990678
false
[CIF] data_LaNbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81734386 _cell_length_b 3.81734386 _cell_length_c 6.35251148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.85637541 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbSe2 _chemical_formula_sum 'La1 Nb1 Se2' _cell_volume 92.55918273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67902213 0.00000000 3.46999790 1 Nb Nb1 1 0.00000000 0.00000000 1.04122961 1 Se Se2 1 2.67902213 0.00000000 0.41507418 1 Se Se3 1 0.00000000 0.00000000 4.60246559 1 [/CIF]
LaNbSe2
Cmm2
35
orthorhombic
mm2
6,991.904459
false
[CIF] data_Al2InMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06080435 _cell_length_b 5.06080435 _cell_length_c 5.06167565 _cell_angle_alpha 96.71317502 _cell_angle_beta 96.71317502 _cell_angle_gamma 33.14638960 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2InMo _chemical_formula_sum 'Al2 In1 Mo1' _cell_volume 70.35445034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07648002 0.00000000 3.91354473 1 Al Al1 1 7.00728524 0.00000000 1.11034183 1 In In2 1 4.54188263 0.00000000 2.51194328 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2InMo
C2/m
12
monoclinic
2/m
6,248.544322
false
[CIF] data_BaMnTcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92118543 _cell_length_b 4.92118543 _cell_length_c 4.92118543 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnTcBi _chemical_formula_sum 'Ba1 Mn1 Tc1 Bi1' _cell_volume 84.27411318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.21970539 5.21970539 5.21970539 1 Bi Bi1 1 1.73990180 1.73990180 1.73990180 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.47980359 3.47980359 3.47980359 1 [/CIF]
BaBiMnTc
F-43m
216
cubic
-43m
9,854.999529
false
[CIF] data_Cr2SnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97794318 _cell_length_b 4.97794318 _cell_length_c 3.11077556 _cell_angle_alpha 91.21706974 _cell_angle_beta 91.21706974 _cell_angle_gamma 103.06404792 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2SnHg _chemical_formula_sum 'Cr2 Sn1 Hg1' _cell_volume 75.04587256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.49522493 1.94875517 1.55448086 1 Cr Cr1 1 1.49522493 -1.94875517 1.55448086 1 Hg Hg2 1 3.09666456 0.00000000 0.00000000 1 Sn Sn3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Cr2HgSn
C2/m
12
monoclinic
2/m
9,366.18112
false
[CIF] data_BeCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27463958 _cell_length_b 7.27463958 _cell_length_c 7.27463958 _cell_angle_alpha 152.65669709 _cell_angle_beta 152.65669709 _cell_angle_gamma 39.05507422 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCo3 _chemical_formula_sum 'Be2 Co6' _cell_volume 81.07845990 _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 0.00000000 0.00000000 8.54585397 1 Be Be1 1 0.00000000 -0.00000000 5.16656447 1 Co Co2 1 0.00000000 1.71941503 -0.00000000 1 Co Co3 1 1.71941503 0.00000000 -0.00000000 1 Co Co4 1 1.71941503 -0.00000000 3.42810461 1 Co Co5 1 -0.00000000 1.71941503 3.42810461 1 Co Co6 1 0.00000000 0.00000000 11.98777192 1 Co Co7 1 -0.00000000 0.00000000 1.72464652 1 [/CIF]
Be2Co6
I4/mmm
139
tetragonal
4/mmm
7,611.089271
false
[CIF] data_LiZnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49015747 _cell_length_b 6.49015747 _cell_length_c 6.49015747 _cell_angle_alpha 154.97014095 _cell_angle_beta 154.97014095 _cell_angle_gamma 35.69103308 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnGe _chemical_formula_sum 'Li1 Zn1 Ge1' _cell_volume 48.87699709 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.33855384 1 Li Li1 1 -0.00000000 0.00000000 4.08837571 1 Zn Zn2 1 0.00000000 0.00000000 8.28463693 1 [/CIF]
GeLiZn
I4mm
107
tetragonal
4mm
4,924.881191
false
[CIF] data_BeNb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48052272 _cell_length_b 4.48052272 _cell_length_c 4.48052272 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNb2W _chemical_formula_sum 'Be1 Nb2 W1' _cell_volume 63.60204129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.75231200 4.75231200 4.75231200 1 Nb Nb2 1 1.58410400 1.58410400 1.58410400 1 W W3 1 3.16820800 3.16820800 3.16820800 1 [/CIF]
BeNb2W
Fm-3m
225
cubic
m-3m
9,886.285354
false
[CIF] data_BaYAlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14664633 _cell_length_b 5.14664633 _cell_length_c 5.14664633 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYAlMo _chemical_formula_sum 'Ba1 Y1 Al1 Mo1' _cell_volume 96.39577019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 3.63922852 3.63922852 3.63922852 1 Mo Mo2 1 1.81961426 1.81961426 1.81961426 1 Y Y3 1 5.45884278 5.45884278 5.45884278 1 [/CIF]
AlBaMoY
F-43m
216
cubic
-43m
6,014.970493
false
[CIF] data_CdAgSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68923229 _cell_length_b 4.68923229 _cell_length_c 4.68923229 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAgSnRu _chemical_formula_sum 'Cd1 Ag1 Sn1 Ru1' _cell_volume 72.91052786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.31578795 3.31578795 3.31578795 1 Cd Cd1 1 1.65789397 1.65789398 1.65789398 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 4.97368193 4.97368193 4.97368193 1 [/CIF]
AgCdRuSn
F-43m
216
cubic
-43m
10,022.359112
false
[CIF] data_CoGeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75972608 _cell_length_b 3.66352647 _cell_length_c 5.23326371 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoGeRu2 _chemical_formula_sum 'Co1 Ge1 Ru2' _cell_volume 52.91002070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.62565835 1 Ge Ge1 1 1.37986304 1.83176324 3.85490887 1 Ru Ru2 1 0.00000000 0.00000000 0.02399378 1 Ru Ru3 1 1.37986304 1.83176324 1.34533462 1 [/CIF]
CoGeRu2
Pmm2
25
orthorhombic
mm2
10,473.324146
false
[CIF] data_NaBeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23991734 _cell_length_b 4.23991734 _cell_length_c 4.23991734 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeCu _chemical_formula_sum 'Na1 Be1 Cu1' _cell_volume 53.89607894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49903715 1.49903715 1.49903715 1 Na Na2 1 2.99807430 2.99807430 2.99807430 1 [/CIF]
BeCuNa
F-43m
216
cubic
-43m
2,943.833929
false
[CIF] data_K2ScBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94018495 _cell_length_b 5.94018495 _cell_length_c 5.94018495 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ScBi _chemical_formula_sum 'K2 Sc1 Bi1' _cell_volume 148.21252447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 4.20034506 4.20034506 4.20034506 1 K K1 1 2.10017253 2.10017253 2.10017253 1 K K2 1 6.30051759 6.30051759 6.30051759 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiK2Sc
Fm-3m
225
cubic
m-3m
3,721.140826
false
[CIF] data_TcSb2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41180655 _cell_length_b 8.41180655 _cell_length_c 8.41180655 _cell_angle_alpha 22.07937398 _cell_angle_beta 22.07937398 _cell_angle_gamma 22.07937398 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcSb2Ir _chemical_formula_sum 'Tc1 Sb2 Ir1' _cell_volume 73.73282065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 -0.00000000 -0.00000000 12.30540066 1 Sb Sb1 1 -0.00000000 -0.00000000 18.43070154 1 Sb Sb2 1 -0.00000000 0.00000000 6.18009978 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrSb2Tc
R-3m
166
trigonal
-3m
12,040.715533
false
[CIF] data_ScRu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05982828 _cell_length_b 4.40577789 _cell_length_c 4.94814594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRu2Cl _chemical_formula_sum 'Sc1 Ru2 Cl1' _cell_volume 66.70557829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.52991414 2.20288894 1.24642530 1 Ru Ru2 1 1.52991414 2.20288894 3.70172064 1 Sc Sc3 1 0.00000000 0.00000000 2.47407297 1 [/CIF]
ClRu2Sc
Pmmm
47
orthorhombic
mmm
7,033.64724
false
[CIF] data_AlRuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96423604 _cell_length_b 4.96423604 _cell_length_c 4.96423604 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRuPb2 _chemical_formula_sum 'Al1 Ru1 Pb2' _cell_volume 86.50521159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.51024497 3.51024497 3.51024497 1 Pb Pb2 1 5.26536746 5.26536746 5.26536746 1 Ru Ru3 1 1.75512249 1.75512249 1.75512248 1 [/CIF]
AlPb2Ru
F-43m
216
cubic
-43m
10,412.80583
false
[CIF] data_P2IrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13990512 _cell_length_b 3.13990512 _cell_length_c 7.12633068 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2IrCl _chemical_formula_sum 'P2 Ir1 Cl1' _cell_volume 70.25852384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 3.90827729 1 Ir Ir1 1 1.56995256 1.56995256 5.84636152 1 P P2 1 0.00000000 0.00000000 6.95807801 1 P P3 1 1.56995256 1.56995256 1.10310988 1 [/CIF]
ClIrP2
P4mm
99
tetragonal
4mm
6,845.023019
false
[CIF] data_TaTiAlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55142983 _cell_length_b 4.55142983 _cell_length_c 4.55142983 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiAlPd _chemical_formula_sum 'Ta1 Ti1 Al1 Pd1' _cell_volume 66.66970878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.21834690 3.21834690 3.21834690 1 Ta Ta2 1 1.60917345 1.60917345 1.60917345 1 Ti Ti3 1 4.82752035 4.82752035 4.82752035 1 [/CIF]
AlPdTaTi
F-43m
216
cubic
-43m
9,021.70603
false
[CIF] data_Ba2LaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93433419 _cell_length_b 3.93433419 _cell_length_c 10.46060183 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LaPd _chemical_formula_sum 'Ba2 La1 Pd1' _cell_volume 161.91950383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96716709 1.96716709 9.68430216 1 Ba Ba1 1 0.00000000 0.00000000 2.92919070 1 La La2 1 1.96716709 1.96716709 6.12716697 1 Pd Pd3 1 0.00000000 0.00000000 7.41084475 1 [/CIF]
Ba2LaPd
P4mm
99
tetragonal
4mm
5,332.571102
false
[CIF] data_FeBRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02260685 _cell_length_b 4.02260685 _cell_length_c 4.02260685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBRu2 _chemical_formula_sum 'Fe1 B1 Ru2' _cell_volume 46.02648059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 2.84441258 2.84441258 2.84441258 1 Ru Ru2 1 1.42220629 1.42220629 1.42220629 1 Ru Ru3 1 4.26661887 4.26661887 4.26661887 1 [/CIF]
BFeRu2
Fm-3m
225
cubic
m-3m
9,697.596976
false
[CIF] data_TlP2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81415617 _cell_length_b 4.81415617 _cell_length_c 4.81415617 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlP2Au _chemical_formula_sum 'Tl1 P2 Au1' _cell_volume 78.89428135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40412247 3.40412247 3.40412247 1 P P1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.70206124 1.70206124 1.70206124 1 Tl Tl3 1 5.10618371 5.10618371 5.10618371 1 [/CIF]
AuP2Tl
F-43m
216
cubic
-43m
9,751.320468
false
[CIF] data_LaMnAlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70745331 _cell_length_b 4.70745331 _cell_length_c 4.70745331 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnAlGa _chemical_formula_sum 'La1 Mn1 Al1 Ga1' _cell_volume 73.76376351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.66433608 1.66433608 1.66433608 1 La La2 1 4.99300824 4.99300824 4.99300824 1 Mn Mn3 1 3.32867216 3.32867216 3.32867216 1 [/CIF]
AlGaLaMn
F-43m
216
cubic
-43m
6,540.696553
false
[CIF] data_Mg14MnSiO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30638537 _cell_length_b 8.60073253 _cell_length_c 8.62982316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14MnSiO16 _chemical_formula_sum 'Mg14 Mn1 Si1 O16' _cell_volume 319.63198340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15319269 4.30036627 0.00000000 1 Mg Mg1 1 2.15319269 0.00000000 0.00000000 1 Mg Mg2 1 0.00000000 2.15786075 4.31491158 1 Mg Mg3 1 0.00000000 6.44287178 4.31491158 1 Mg Mg4 1 0.00000000 2.15354877 0.00000000 1 Mg Mg5 1 0.00000000 6.44718376 0.00000000 1 Mg Mg6 1 0.00000000 4.30036627 2.14197941 1 Mg Mg7 1 0.00000000 0.00000000 2.13138285 1 Mg Mg8 1 0.00000000 4.30036627 6.48784375 1 Mg Mg9 1 0.00000000 0.00000000 6.49844031 1 Mg Mg10 1 2.15319269 2.15223415 2.13720090 1 Mg Mg11 1 2.15319269 6.44849838 2.13720090 1 Mg Mg12 1 2.15319269 2.15223415 6.49262226 1 Mg Mg13 1 2.15319269 6.44849838 6.49262226 1 Mn Mn14 1 2.15319269 4.30036627 4.31491158 1 Si Si15 1 2.15319269 0.00000000 4.31491158 1 O O16 1 2.15319269 4.30036627 2.08232127 1 O O17 1 2.15319269 0.00000000 2.04551395 1 O O18 1 2.15319269 4.30036627 6.54750189 1 O O19 1 2.15319269 0.00000000 6.58430921 1 O O20 1 0.00000000 2.14779161 2.16939601 1 O O21 1 0.00000000 6.45294092 2.16939601 1 O O22 1 0.00000000 2.14779161 6.46042715 1 O O23 1 0.00000000 6.45294092 6.46042715 1 O O24 1 0.00000000 4.30036627 4.31491158 1 O O25 1 0.00000000 0.00000000 4.31491158 1 O O26 1 0.00000000 4.30036627 0.00000000 1 O O27 1 0.00000000 0.00000000 0.00000000 1 O O28 1 2.15319269 2.16909924 4.31491158 1 O O29 1 2.15319269 6.43163329 4.31491158 1 O O30 1 2.15319269 2.16141707 0.00000000 1 O O31 1 2.15319269 6.43931546 0.00000000 1 [/CIF]
Mg14MnO16Si
Pmmm
47
orthorhombic
mmm
3,528.988295
false
[CIF] data_Sc2BiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21879950 _cell_length_b 3.38772172 _cell_length_c 7.94592201 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.87755325 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BiIr _chemical_formula_sum 'Sc2 Bi1 Ir1' _cell_volume 86.44714328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.26866920 0.00000000 3.96386629 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.60843747 1.69386086 1.56842103 1 Sc Sc3 1 1.07302363 1.69386086 6.35931156 1 [/CIF]
BiIrSc2
P2/m
10
monoclinic
2/m
9,433.580122
false
[CIF] data_KYNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14222873 _cell_length_b 4.14222873 _cell_length_c 7.73041931 _cell_angle_alpha 100.08607868 _cell_angle_beta 100.08607868 _cell_angle_gamma 49.66321878 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYNi2 _chemical_formula_sum 'K1 Y1 Ni2' _cell_volume 99.20420522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 5.27082880 0.00000000 2.31755247 1 Ni Ni2 1 0.75597171 -0.00000000 5.26757368 1 Y Y3 1 3.01340025 -0.00000000 3.79256308 1 [/CIF]
KNi2Y
C2/m
12
monoclinic
2/m
4,107.49986
false
[CIF] data_NaCu4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96165465 _cell_length_b 4.96165465 _cell_length_c 4.96165465 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCu4Pd _chemical_formula_sum 'Na1 Cu4 Pd1' _cell_volume 86.37033417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.63289140 2.63289140 4.38394790 1 Cu Cu1 1 2.63289140 4.38394790 2.63289140 1 Cu Cu2 1 4.38394790 2.63289140 2.63289140 1 Cu Cu3 1 4.38394790 4.38394790 4.38394790 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 Pd Pd5 1 1.75420983 1.75420983 1.75420983 1 [/CIF]
Cu4NaPd
F-43m
216
cubic
-43m
7,374.898404
false
[CIF] data_K2ScNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59965939 _cell_length_b 3.59965939 _cell_length_c 10.69656101 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ScNi _chemical_formula_sum 'K2 Sc1 Ni1' _cell_volume 138.60119977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.79982970 1.79982970 10.01832032 1 K K1 1 0.00000000 0.00000000 3.53000804 1 Ni Ni2 1 1.79982970 1.79982970 6.27078188 1 Sc Sc3 1 0.00000000 0.00000000 6.92229240 1 [/CIF]
K2NiSc
P4mm
99
tetragonal
4mm
2,178.640888
false
[CIF] data_KB2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99706957 _cell_length_b 6.62053183 _cell_length_c 6.62053183 _cell_angle_alpha 30.67441239 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KB2W _chemical_formula_sum 'K1 B2 W1' _cell_volume 67.01746862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.36518400 1 B B1 1 1.49853479 -0.00000000 9.56309163 1 K K2 1 0.00000000 -0.00000000 0.95798294 1 W W3 1 1.49853479 0.00000000 4.34186855 1 [/CIF]
B2KW
Amm2
38
orthorhombic
mm2
6,059.757987
false
[CIF] data_HfTiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92165813 _cell_length_b 4.92165813 _cell_length_c 4.92165813 _cell_angle_alpha 130.75605744 _cell_angle_beta 130.75605744 _cell_angle_gamma 72.20094022 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTiPt2 _chemical_formula_sum 'Hf1 Ti1 Pt2' _cell_volume 66.88019499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.97662619 1 Pt Pt1 1 2.05050761 0.00000000 1.98831309 1 Pt Pt2 1 0.00000000 2.05050761 1.98831309 1 Ti Ti3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
HfPt2Ti
I4/mmm
139
tetragonal
4/mmm
15,307.534786
false
[CIF] data_HfCoNiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32848701 _cell_length_b 4.32848701 _cell_length_c 4.32848701 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoNiRh _chemical_formula_sum 'Hf1 Co1 Ni1 Rh1' _cell_volume 57.34470976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.06070252 3.06070252 3.06070252 1 Ni Ni2 1 1.53035126 1.53035126 1.53035126 1 Rh Rh3 1 4.59105378 4.59105378 4.59105378 1 [/CIF]
CoHfNiRh
F-43m
216
cubic
-43m
11,554.540601
false
[CIF] data_V2MoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81147652 _cell_length_b 4.81147652 _cell_length_c 4.81147652 _cell_angle_alpha 131.82766100 _cell_angle_beta 131.82766100 _cell_angle_gamma 70.50135416 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2MoW _chemical_formula_sum 'V2 Mo1 W1' _cell_volume 60.60069995 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.92921885 1 V V1 1 0.00000000 1.96361217 1.96460943 1 V V2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.96361217 -0.00000000 1.96460943 1 [/CIF]
MoV2W
I-4m2
119
tetragonal
-42m
10,458.617361
false
[CIF] data_Nb2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15731308 _cell_length_b 4.81966241 _cell_length_c 4.81169959 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TePt _chemical_formula_sum 'Nb2 Te1 Pt1' _cell_volume 73.22051400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 2.40983121 0.53815309 1 Nb Nb1 1 0.00000000 0.00000000 3.05182326 1 Pt Pt2 1 1.57865654 2.40983121 2.98324831 1 Te Te3 1 1.57865654 0.00000000 0.64432473 1 [/CIF]
Nb2PtTe
Pmm2
25
orthorhombic
mm2
11,532.066262
false
[CIF] data_TiCrMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38732254 _cell_length_b 4.38732254 _cell_length_c 4.38732254 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrMoPt _chemical_formula_sum 'Ti1 Cr1 Mo1 Pt1' _cell_volume 59.71503517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65345828 4.65345828 4.65345828 1 Mo Mo1 1 3.10230552 3.10230552 3.10230552 1 Pt Pt2 1 1.55115276 1.55115276 1.55115276 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrMoPtTi
F-43m
216
cubic
-43m
10,870.235763
false
[CIF] data_TaMnReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40428687 _cell_length_b 4.40428687 _cell_length_c 4.40428687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMnReTc _chemical_formula_sum 'Ta1 Mn1 Re1 Tc1' _cell_volume 60.41041196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.55715055 1.55715055 1.55715056 1 Ta Ta2 1 3.11430111 3.11430111 3.11430111 1 Tc Tc3 1 4.67145167 4.67145167 4.67145167 1 [/CIF]
MnReTaTc
F-43m
216
cubic
-43m
14,321.031304
false
[CIF] data_In2FeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76074914 _cell_length_b 4.76074914 _cell_length_c 3.00759720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.36645683 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2FeCu _chemical_formula_sum 'In2 Fe1 Cu1' _cell_volume 67.05370489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04847222 -0.00000000 0.00000000 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.52423611 1.82835647 1.50379860 1 In In3 1 1.52423611 -1.82835647 1.50379860 1 [/CIF]
CuFeIn2
Cmmm
65
orthorhombic
mmm
8,644.275986
false
[CIF] data_PuCu2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69888586 _cell_length_b 4.69888586 _cell_length_c 4.69888586 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuCu2Ag _chemical_formula_sum 'Pu1 Cu2 Ag1' _cell_volume 73.36175125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 4.98392109 4.98392109 4.98392109 1 Cu Cu2 1 1.66130703 1.66130703 1.66130703 1 Pu Pu3 1 3.32261406 3.32261406 3.32261406 1 [/CIF]
AgCu2Pu
Fm-3m
225
cubic
m-3m
10,841.236883
false
[CIF] data_Sr2BeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20920323 _cell_length_b 5.20920323 _cell_length_c 5.20920323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BeRh _chemical_formula_sum 'Sr2 Be1 Rh1' _cell_volume 99.95370716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.68346293 3.68346293 3.68346293 1 Sr Sr2 1 5.52519439 5.52519439 5.52519440 1 Sr Sr3 1 1.84173147 1.84173147 1.84173147 1 [/CIF]
BeRhSr2
Fm-3m
225
cubic
m-3m
4,770.573926
false
[CIF] data_MnTeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67007396 _cell_length_b 3.67007396 _cell_length_c 7.04483270 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTeCl _chemical_formula_sum 'Mn1 Te1 Cl1' _cell_volume 82.17712584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.82756333 1 Mn Mn1 1 0.00000000 2.11891819 2.23525553 1 Te Te2 1 1.83503698 1.05945909 3.98201384 1 [/CIF]
ClMnTe
P3m1
156
trigonal
3m
4,404.9076
false
[CIF] data_AlSb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35451834 _cell_length_b 3.35451834 _cell_length_c 7.73167264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSb2W _chemical_formula_sum 'Al1 Sb2 W1' _cell_volume 87.00291403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.42023985 1 Sb Sb1 1 1.67725917 1.67725917 7.22896516 1 Sb Sb2 1 0.00000000 0.00000000 2.51979572 1 W W3 1 1.67725917 1.67725917 4.16018087 1 [/CIF]
AlSb2W
P4mm
99
tetragonal
4mm
8,671.570175
false
[CIF] data_ZnCo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17088898 _cell_length_b 4.17088898 _cell_length_c 4.17088898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCo2Se _chemical_formula_sum 'Zn1 Co2 Se1' _cell_volume 51.30632308 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.42389582 4.42389582 4.42389582 1 Co Co1 1 1.47463194 1.47463194 1.47463194 1 Se Se2 1 2.94926388 2.94926388 2.94926388 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2SeZn
Fm-3m
225
cubic
m-3m
8,486.360509
false
[CIF] data_Sr2MnV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31047644 _cell_length_b 6.31047644 _cell_length_c 6.31047644 _cell_angle_alpha 148.63796993 _cell_angle_beta 126.28943476 _cell_angle_gamma 63.52799823 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MnV _chemical_formula_sum 'Sr2 Mn1 V1' _cell_volume 104.34772830 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85068551 2.10270497 1 Sr Sr1 1 -0.00000000 -0.00000000 10.32279462 1 Sr Sr2 1 1.70560468 -0.00000000 2.90179306 1 V V3 1 -0.00000000 -0.00000000 6.13397220 1 [/CIF]
MnSr2V
Imm2
44
orthorhombic
mm2
4,473.863992
false
[CIF] data_Na2TaAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87887692 _cell_length_b 2.87887692 _cell_length_c 10.65036247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.97270094 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TaAl _chemical_formula_sum 'Na2 Ta1 Al1' _cell_volume 88.15070417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95149799 1 Na Na1 1 1.98218553 0.00000000 0.38909534 1 Na Na2 1 0.00000000 0.00000000 7.70801612 1 Ta Ta3 1 1.98218553 0.00000000 4.92693425 1 [/CIF]
AlNa2Ta
Cmm2
35
orthorhombic
mm2
4,783.01049
false
[CIF] data_Sr2AcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81779600 _cell_length_b 5.81779600 _cell_length_c 5.81779600 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AcW _chemical_formula_sum 'Sr2 Ac1 W1' _cell_volume 139.23886270 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 4.11380300 4.11380300 4.11380300 1 Sr Sr1 1 2.05690150 2.05690150 2.05690150 1 Sr Sr2 1 6.17070450 6.17070450 6.17070450 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcSr2W
Fm-3m
225
cubic
m-3m
6,989.490702
false
[CIF] data_CoHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63623633 _cell_length_b 4.63623633 _cell_length_c 3.05691603 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHg2 _chemical_formula_sum 'Co1 Hg2' _cell_volume 56.90432452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 2.67673229 0.99463705 1 Hg Hg2 1 2.31811817 1.33836615 2.06227897 1 [/CIF]
CoHg2
P-3m1
164
trigonal
-3m
13,426.676123
false
[CIF] data_CaCo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85885072 _cell_length_b 3.85885072 _cell_length_c 4.29059345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCo2Pd _chemical_formula_sum 'Ca1 Co2 Pd1' _cell_volume 63.89006380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 0.00000000 1.92942536 2.14529673 1 Co Co2 1 1.92942536 0.00000000 2.14529673 1 Pd Pd3 1 1.92942536 1.92942536 0.00000000 1 [/CIF]
CaCo2Pd
P4/mmm
123
tetragonal
4/mmm
6,870.980734
false
[CIF] data_ReAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19559742 _cell_length_b 3.19559742 _cell_length_c 6.18272177 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAs2Pt _chemical_formula_sum 'Re1 As2 Pt1' _cell_volume 63.13698323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.59779871 1.59779871 1.46345748 1 As As1 1 1.59779871 1.59779871 4.71926429 1 Pt Pt2 1 0.00000000 0.00000000 3.09136089 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2PtRe
P4/mmm
123
tetragonal
4/mmm
13,969.135736
false
[CIF] data_V2NiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05048475 _cell_length_b 5.05048475 _cell_length_c 5.05048475 _cell_angle_alpha 141.16706374 _cell_angle_beta 133.81282632 _cell_angle_gamma 61.88243005 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2NiHg _chemical_formula_sum 'V2 Ni1 Hg1' _cell_volume 57.62895258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.33177691 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.67894387 -0.00000000 2.09165185 1 V V3 1 -0.00000000 1.98097263 2.24012506 1 [/CIF]
HgNiV2
Immm
71
orthorhombic
mmm
10,406.767482
false
[CIF] data_GdNiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73545122 _cell_length_b 4.73545122 _cell_length_c 4.73545122 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdNiAg2 _chemical_formula_sum 'Gd1 Ni1 Ag2' _cell_volume 75.08775250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.02270451 5.02270451 5.02270451 1 Ag Ag1 1 1.67423484 1.67423484 1.67423484 1 Gd Gd2 1 3.34846967 3.34846967 3.34846967 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2GdNi
Fm-3m
225
cubic
m-3m
9,546.445969
false
[CIF] data_MgZrMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58894434 _cell_length_b 4.58894434 _cell_length_c 4.58894434 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrMoOs _chemical_formula_sum 'Mg1 Zr1 Mo1 Os1' _cell_volume 68.33188038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.24487366 3.24487366 3.24487366 1 Os Os2 1 4.86731049 4.86731049 4.86731049 1 Zr Zr3 1 1.62243683 1.62243683 1.62243683 1 [/CIF]
MgMoOsZr
F-43m
216
cubic
-43m
9,762.208936
false
[CIF] data_LaTcCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99358187 _cell_length_b 4.07840108 _cell_length_c 6.67350819 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.05402749 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTcCl2 _chemical_formula_sum 'La1 Tc1 Cl2' _cell_volume 105.44076085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.94903727 2.03920054 6.01818921 1 Cl Cl1 1 2.63164003 0.00000000 2.03865379 1 La La2 1 1.09412250 2.03920054 3.72613622 1 Tc Tc3 1 -0.83778482 0.00000000 4.40139884 1 [/CIF]
Cl2LaTc
Pm
6
monoclinic
m
4,861.855581
false
[CIF] data_LaGa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92294417 _cell_length_b 4.92294417 _cell_length_c 4.92294417 _cell_angle_alpha 125.67445818 _cell_angle_beta 125.67445818 _cell_angle_gamma 80.42385171 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGa2Fe _chemical_formula_sum 'La1 Ga2 Fe1' _cell_volume 75.95478970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.24742205 -0.00000000 1.87973187 1 Ga Ga2 1 -0.00000000 2.24742205 1.87973187 1 La La3 1 0.00000000 -0.00000000 3.75946373 1 [/CIF]
FeGa2La
I4/mmm
139
tetragonal
4/mmm
7,306.271225
false
[CIF] data_Si3W5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28498664 _cell_length_b 7.28498664 _cell_length_c 5.11941238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3W5 _chemical_formula_sum 'Si6 W10' _cell_volume 235.29259798 _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 Si Si0 1 -1.44159854 2.49692192 3.83955929 1 Si Si1 1 -2.20089478 3.81206158 1.27985310 1 Si Si2 1 2.20089478 3.81206158 3.83955929 1 Si Si3 1 2.88319708 0.00000000 3.83955929 1 Si Si4 1 4.40178955 0.00000000 1.27985310 1 Si Si5 1 1.44159854 2.49692192 1.27985310 1 W W6 1 3.64249332 2.10299450 2.55970619 1 W W7 1 0.00000000 4.20598900 0.00000000 1 W W8 1 0.00000000 4.20598900 2.55970619 1 W W9 1 3.64249332 2.10299450 0.00000000 1 W W10 1 -2.78266117 4.81971053 3.83955929 1 W W11 1 -0.85983215 1.48927297 1.27985310 1 W W12 1 0.85983215 1.48927297 3.83955929 1 W W13 1 5.56532234 0.00000000 3.83955929 1 W W14 1 1.71966430 0.00000000 1.27985310 1 W W15 1 2.78266117 4.81971053 1.27985310 1 [/CIF]
Si6W10
P6_3/mcm
193
hexagonal
6/mmm
14,163.460599
false
[CIF] data_SiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05412245 _cell_length_b 4.05412245 _cell_length_c 13.42251900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPd _chemical_formula_sum 'Si6 Pd6' _cell_volume 191.05498911 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 3.72985589 1 Pd Pd1 1 0.00000000 0.00000000 9.69266311 1 Pd Pd2 1 0.00000000 2.34064869 8.19600191 1 Pd Pd3 1 0.00000000 2.34064869 0.64541444 1 Pd Pd4 1 2.02706123 1.17032434 12.77710456 1 Pd Pd5 1 2.02706123 1.17032434 5.22651709 1 Si Si6 1 0.00000000 0.00000000 1.28245458 1 Si Si7 1 0.00000000 0.00000000 12.14006442 1 Si Si8 1 0.00000000 2.34064869 5.69533347 1 Si Si9 1 0.00000000 2.34064869 3.08236713 1 Si Si10 1 2.02706123 1.17032434 10.34015187 1 Si Si11 1 2.02706123 1.17032434 7.72718553 1 [/CIF]
Pd6Si6
P-3m1
164
trigonal
-3m
7,014.262379
false
[CIF] data_NaCrSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51183385 _cell_length_b 4.51183385 _cell_length_c 4.51183385 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrSnIr _chemical_formula_sum 'Na1 Cr1 Sn1 Ir1' _cell_volume 64.94478695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78552247 4.78552247 4.78552247 1 Ir Ir1 1 3.19034831 3.19034831 3.19034831 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 1.59517416 1.59517416 1.59517416 1 [/CIF]
CrIrNaSn
F-43m
216
cubic
-43m
9,867.202987
false
[CIF] data_KZrTiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94687790 _cell_length_b 4.94687790 _cell_length_c 4.94687790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrTiW _chemical_formula_sum 'K1 Zr1 Ti1 W1' _cell_volume 85.60094833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 5.24695637 5.24695637 5.24695637 1 W W2 1 1.74898546 1.74898546 1.74898545 1 Zr Zr3 1 3.49797091 3.49797091 3.49797091 1 [/CIF]
KTiWZr
F-43m
216
cubic
-43m
7,022.863737
false
[CIF] data_AgClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19790381 _cell_length_b 4.19790381 _cell_length_c 4.19790381 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgClO3 _chemical_formula_sum 'Ag1 Cl1 O3' _cell_volume 73.97712498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09895190 2.09895190 2.09895190 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 2.09895190 2.09895190 1 O O3 1 2.09895190 0.00000000 2.09895190 1 O O4 1 2.09895190 2.09895190 0.00000000 1 [/CIF]
AgClO3
Pm-3m
221
cubic
m-3m
4,294.480733
false
[CIF] data_Sr2BiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67243747 _cell_length_b 5.67243747 _cell_length_c 5.67243747 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BiAu _chemical_formula_sum 'Sr2 Bi1 Au1' _cell_volume 129.06074072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 6.01652850 6.01652850 6.01652850 1 Sr Sr1 1 2.00550950 2.00550950 2.00550950 1 Bi Bi2 1 4.01101900 4.01101900 4.01101900 1 Au Au3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBiSr2
Fm-3m
225
cubic
m-3m
7,477.747777
false
[CIF] data_SrCdCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27342024 _cell_length_b 6.27342024 _cell_length_c 6.27342024 _cell_angle_alpha 38.82514683 _cell_angle_beta 38.82514683 _cell_angle_gamma 38.82514683 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCdCo2 _chemical_formula_sum 'Sr1 Cd1 Co2' _cell_volume 87.24544889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.06156865 1 Co Co1 1 0.00000000 -0.00000000 0.39708915 1 Co Co2 1 -0.00000000 -0.00000000 12.02033034 1 Sr Sr3 1 -0.00000000 0.00000000 8.44345110 1 [/CIF]
CdCo2Sr
R3m
160
trigonal
3m
6,064.987387
false
[CIF] data_Sc2CdOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82187304 _cell_length_b 5.82187304 _cell_length_c 5.82187304 _cell_angle_alpha 146.67436844 _cell_angle_beta 132.61358142 _cell_angle_gamma 59.16202208 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CdOs _chemical_formula_sum 'Sc2 Cd1 Os1' _cell_volume 79.09260046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.34015480 1 Os Os1 1 -0.00000000 2.33945709 2.59345226 1 Sc Sc2 1 0.00000000 0.00000000 9.75536162 1 Sc Sc3 1 1.66935715 -0.00000000 2.56319876 1 [/CIF]
CdOsSc2
Imm2
44
orthorhombic
mm2
8,241.596511
false
[CIF] data_BaLaGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83169332 _cell_length_b 3.83169332 _cell_length_c 8.97709860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaGa _chemical_formula_sum 'Ba1 La1 Ga1' _cell_volume 114.14269169 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.21222918 0.03338583 1 Ga Ga1 1 0.00000000 0.00000000 3.00439782 1 La La2 1 1.91584664 1.10611459 5.93931495 1 [/CIF]
BaGaLa
P3m1
156
trigonal
3m
5,032.933465
false
[CIF] data_CaMnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14970834 _cell_length_b 6.14970834 _cell_length_c 6.14970834 _cell_angle_alpha 144.34338326 _cell_angle_beta 144.34338326 _cell_angle_gamma 51.31412200 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnBi _chemical_formula_sum 'Ca1 Mn1 Bi1' _cell_volume 78.60587294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.32457747 1 Ca Ca1 1 0.00000000 -0.00000000 3.65084058 1 Mn Mn2 1 0.00000000 -0.00000000 7.11129785 1 [/CIF]
BiCaMn
I4mm
107
tetragonal
4mm
6,421.88623
false
[CIF] data_LaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61868770 _cell_length_b 4.61868770 _cell_length_c 3.08420344 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaRh2 _chemical_formula_sum 'La1 Rh2' _cell_volume 56.97847792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.30934385 1.33330029 0.82779780 1 Rh Rh2 1 0.00000000 2.66660058 2.25640564 1 [/CIF]
LaRh2
P-3m1
164
trigonal
-3m
10,046.230535
false
[CIF] data_SiBiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92648187 _cell_length_b 4.44448904 _cell_length_c 4.95225035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBiIr2 _chemical_formula_sum 'Si1 Bi1 Ir2' _cell_volume 64.41251682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22224452 2.47612517 1 Ir Ir1 1 1.46324093 2.22224452 0.00000000 1 Ir Ir2 1 1.46324093 0.00000000 2.47612517 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIr2Si
Pmmm
47
orthorhombic
mmm
16,022.116737
false
[CIF] data_MgTaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93844343 _cell_length_b 2.93844343 _cell_length_c 8.28571158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaAg2 _chemical_formula_sum 'Mg1 Ta1 Ag2' _cell_volume 71.54256062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46922172 1.46922172 6.25265067 1 Ag Ag1 1 1.46922172 1.46922172 2.03306091 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 4.14285579 1 [/CIF]
Ag2MgTa
P4/mmm
123
tetragonal
4/mmm
9,771.37441
false
[CIF] data_ZrTiSnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90788282 _cell_length_b 4.90788282 _cell_length_c 4.90788282 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiSnHg _chemical_formula_sum 'Zr1 Ti1 Sn1 Hg1' _cell_volume 83.59254660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.20559583 5.20559583 5.20559583 1 Sn Sn1 1 1.73519861 1.73519861 1.73519861 1 Ti Ti2 1 0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 3.47039722 3.47039722 3.47039722 1 [/CIF]
HgSnTiZr
F-43m
216
cubic
-43m
9,105.789861
false
[CIF] data_In2AgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22065988 _cell_length_b 3.22065988 _cell_length_c 7.29050837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2AgRh _chemical_formula_sum 'In2 Ag1 Rh1' _cell_volume 75.62189202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.64525419 1 In In1 1 1.61032994 1.61032994 5.63050022 1 In In2 1 1.61032994 1.61032994 1.66000815 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgIn2Rh
P4/mmm
123
tetragonal
4/mmm
9,671.775576
false
[CIF] data_LaSn2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77508197 _cell_length_b 3.77508197 _cell_length_c 7.27678846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSn2Au _chemical_formula_sum 'La1 Sn2 Au1' _cell_volume 103.70328701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.63839423 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.88754099 1.88754099 2.17812652 1 Sn Sn3 1 1.88754099 1.88754099 5.09866194 1 [/CIF]
AuLaSn2
P4/mmm
123
tetragonal
4/mmm
9,179.784506
false
[CIF] data_LiZr2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22197859 _cell_length_b 4.34248434 _cell_length_c 6.41067512 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZr2Sc _chemical_formula_sum 'Li1 Zr2 Sc1' _cell_volume 89.69426584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19986015 1 Sc Sc1 1 1.61098930 2.17124217 4.82303021 1 Zr Zr2 1 0.00000000 0.00000000 0.07497765 1 Zr Zr3 1 1.61098930 2.17124217 1.51814467 1 [/CIF]
LiScZr2
Pmm2
25
orthorhombic
mm2
4,338.503446
false
[CIF] data_BaCaTiF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91487202 _cell_length_b 10.40383500 _cell_length_c 10.09196135 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.74145539 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaTiF7 _chemical_formula_sum 'Ba4 Ca4 Ti4 F28' _cell_volume 620.32183047 _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 Ba Ba0 1 1.36109263 7.01963394 5.07062838 1 Ba Ba1 1 3.82974422 1.81771644 10.04998872 1 Ba Ba2 1 4.07108928 3.38420106 5.00978302 1 Ba Ba3 1 1.60243768 8.58611856 0.03042268 1 Ca Ca4 1 3.74427853 6.18221885 8.24581685 1 Ca Ca5 1 1.44655832 0.98030135 6.87480026 1 Ca Ca6 1 3.98562359 9.42353365 3.20561115 1 Ca Ca7 1 1.68790338 4.22161615 1.83459455 1 Ti Ti8 1 0.73387128 3.98159967 8.14892394 1 Ti Ti9 1 4.69831062 6.42223533 1.93148747 1 Ti Ti10 1 0.97521634 1.22031783 3.10871823 1 Ti Ti11 1 4.45696557 9.18351717 6.97169317 1 F F12 1 0.56589904 5.98856187 1.09925878 1 F F13 1 1.86256032 9.91984860 3.74275595 1 F F14 1 2.45797755 3.06466808 7.49761847 1 F F15 1 2.97420435 7.33916692 2.58279293 1 F F16 1 5.17677000 5.62066145 3.61428111 1 F F17 1 1.38895656 2.08014277 4.83372864 1 F F18 1 -0.29047071 2.32664083 7.52052117 1 F F19 1 0.49675696 0.41874395 1.42592460 1 F F20 1 1.62121526 5.68590390 8.78296165 1 F F21 1 2.73285930 8.26658558 7.62299863 1 F F22 1 0.32455398 9.61719063 6.13946449 1 F F23 1 4.86628287 4.41527313 8.98115262 1 F F24 1 5.48130755 7.52855833 7.60009594 1 F F25 1 1.91358335 0.40592643 8.91954115 1 F F26 1 0.25541191 4.78317355 6.46613030 1 F F27 1 4.93542494 9.98509105 8.65448681 1 F F28 1 5.72265261 8.07719417 2.55989023 1 F F29 1 5.10762793 0.78664437 3.94094692 1 F F30 1 3.27725350 5.60784393 6.20107596 1 F F31 1 3.56962159 0.48398640 6.33765545 1 F F32 1 3.51859855 9.99790857 1.16087026 1 F F33 1 -0.04912565 2.87527667 2.48031547 1 F F34 1 2.15492841 4.79599107 3.87933544 1 F F35 1 4.28457040 7.28206027 0.20647707 1 F F36 1 4.04322534 8.32369223 5.24668277 1 F F37 1 1.14761151 3.12177473 9.87393434 1 F F38 1 3.81096664 4.71793110 1.29744975 1 F F39 1 2.69932261 2.13724942 2.45741277 1 [/CIF]
Ba4Ca4F28Ti4
P2_1/c
14
monoclinic
2/m
3,836.112562
false
[CIF] data_La2BiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01681620 _cell_length_b 8.01681620 _cell_length_c 8.01681620 _cell_angle_alpha 33.83705766 _cell_angle_beta 33.83705766 _cell_angle_gamma 33.83705766 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BiTe _chemical_formula_sum 'La2 Bi1 Te1' _cell_volume 142.36365722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.32596756 1 La La1 1 0.00000000 -0.00000000 16.99424441 1 La La2 1 0.00000000 -0.00000000 5.65769070 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiLa2Te
R-3m
166
trigonal
-3m
7,194.239919
false
[CIF] data_MnNbZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61625572 _cell_length_b 4.28217680 _cell_length_c 5.18512641 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.76204894 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbZn2 _chemical_formula_sum 'Mn1 Nb1 Zn2' _cell_volume 56.87062347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 -0.52848787 0.00000000 2.53812618 1 Zn Zn2 1 0.65622662 2.14108840 3.89297444 1 Zn Zn3 1 0.90305335 2.14108840 1.18327793 1 [/CIF]
MnNbZn2
P2/m
10
monoclinic
2/m
8,134.84192
false
[CIF] data_ScCuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25707418 _cell_length_b 4.25707418 _cell_length_c 4.25707418 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCuRu _chemical_formula_sum 'Sc1 Cu1 Ru1' _cell_volume 54.55300214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.01020602 3.01020602 3.01020602 1 Ru Ru1 1 4.51530903 4.51530903 4.51530903 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuRuSc
F-43m
216
cubic
-43m
6,379.16033
false
[CIF] data_PmEu2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83046735 _cell_length_b 5.83046735 _cell_length_c 5.83046735 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmEu2Mg _chemical_formula_sum 'Pm1 Eu2 Mg1' _cell_volume 140.15064636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.18414450 6.18414450 6.18414450 1 Eu Eu1 1 2.06138150 2.06138150 2.06138150 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pm Pm3 1 4.12276300 4.12276300 4.12276300 1 [/CIF]
Eu2MgPm
Fm-3m
225
cubic
m-3m
5,606.980093
false
[CIF] data_Hf2ZrB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13752506 _cell_length_b 4.13752506 _cell_length_c 4.13127503 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZrB _chemical_formula_sum 'Hf2 Zr1 B1' _cell_volume 70.72376664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 2.06876253 2.06563752 1 Hf Hf2 1 2.06876253 0.00000000 2.06563752 1 Zr Zr3 1 2.06876253 2.06876253 0.00000000 1 [/CIF]
BHf2Zr
P4/mmm
123
tetragonal
4/mmm
10,777.316151
false
[CIF] data_Ca2HfTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81620383 _cell_length_b 3.81620383 _cell_length_c 7.99492863 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2HfTe _chemical_formula_sum 'Ca2 Hf1 Te1' _cell_volume 116.43343693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.90810192 1.90810192 1.81581555 1 Ca Ca1 1 1.90810192 1.90810192 6.17911308 1 Hf Hf2 1 0.00000000 0.00000000 3.99746432 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2HfTe
P4/mmm
123
tetragonal
4/mmm
5,508.525637
false
[CIF] data_Sr4LaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36705909 _cell_length_b 7.36705909 _cell_length_c 7.36705909 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4LaTe _chemical_formula_sum 'Sr4 La1 Te1' _cell_volume 282.72711528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60464872 2.60464872 2.60464872 1 Sr Sr1 1 3.91390971 3.91390971 6.50468517 1 Sr Sr2 1 3.91390971 6.50468517 3.91390971 1 Sr Sr3 1 6.50468517 3.91390971 3.91390971 1 Sr Sr4 1 6.50468517 6.50468517 6.50468517 1 Te Te5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaSr4Te
F-43m
216
cubic
-43m
3,623.736179
false
[CIF] data_EuAgW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65497728 _cell_length_b 4.65497728 _cell_length_c 4.65497728 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuAgW2 _chemical_formula_sum 'Eu1 Ag1 W2' _cell_volume 71.32432966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Eu Eu1 1 3.29156600 3.29156600 3.29156600 1 W W2 1 4.93734900 4.93734900 4.93734900 1 W W3 1 1.64578300 1.64578300 1.64578300 1 [/CIF]
AgEuW2
Fm-3m
225
cubic
m-3m
14,609.440114
false
[CIF] data_Sc2CoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31517948 _cell_length_b 4.31517948 _cell_length_c 5.69134933 _cell_angle_alpha 101.60876414 _cell_angle_beta 101.60876414 _cell_angle_gamma 42.69207910 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CoPd _chemical_formula_sum 'Sc2 Co1 Pd1' _cell_volume 70.16166077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.40434908 -0.00000000 2.77846706 1 Sc Sc2 1 5.66326297 -0.00000000 1.28063714 1 Sc Sc3 1 1.14543519 0.00000000 4.27629697 1 [/CIF]
CoPdSc2
C2/m
12
monoclinic
2/m
6,041.441034
false
[CIF] data_LaVPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83972676 _cell_length_b 4.83972676 _cell_length_c 4.83972676 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVPtAu _chemical_formula_sum 'La1 V1 Pt1 Au1' _cell_volume 80.15812149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71110180 1.71110180 1.71110181 1 La La1 1 5.13330541 5.13330541 5.13330541 1 Pt Pt2 1 3.42220361 3.42220361 3.42220361 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLaPtV
F-43m
216
cubic
-43m
12,054.469071
false
[CIF] data_Cs2Ga3As5O18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.02768233 _cell_length_b 14.02768233 _cell_length_c 12.72945883 _cell_angle_alpha 93.91639552 _cell_angle_beta 93.91639552 _cell_angle_gamma 21.38116771 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2Ga3As5O18 _chemical_formula_sum 'Cs4 Ga6 As10 O36' _cell_volume 910.98653967 _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 Cs Cs0 1 3.24600995 0.28360673 4.31028484 1 Cs Cs1 1 23.43761705 -0.28360673 8.38838716 1 Cs Cs2 1 23.88001155 0.28360673 2.03905116 1 Cs Cs3 1 2.80361545 -0.28360673 10.65962084 1 Ga Ga4 1 7.50272005 -0.35617708 11.25135356 1 Ga Ga5 1 19.18090695 0.35617708 1.44731844 1 Ga Ga6 1 7.94511455 0.35617708 4.90201756 1 Ga Ga7 1 -0.44239450 0.00000000 6.34933600 1 Ga Ga8 1 18.73851245 -0.35617708 7.79665444 1 Ga Ga9 1 0.00000000 0.00000000 0.00000000 1 As As10 1 11.50632384 -0.01114785 5.27725062 1 As As11 1 19.33490057 -0.35000205 11.08879786 1 As As12 1 13.12061625 -1.31839777 9.52400400 1 As As13 1 7.34872643 0.35000205 1.60987414 1 As As14 1 6.90633193 -0.35000205 7.95921014 1 As As15 1 15.17730316 0.01114785 7.42142138 1 As As16 1 13.56301075 1.31839777 3.17466800 1 As As17 1 19.77729507 0.35000205 4.73946186 1 As As18 1 15.61969766 -0.01114785 1.07208538 1 As As19 1 11.06392934 0.01114785 11.62658662 1 O O20 1 12.66416559 -0.98146661 0.11404677 1 O O21 1 21.33130512 -0.38732030 4.82266356 1 O O22 1 9.92044378 0.43840422 4.93509760 1 O O23 1 5.35232188 0.38732030 7.87600844 1 O O24 1 18.14710967 0.13888759 12.23967850 1 O O25 1 5.78111018 0.55482176 11.23360081 1 O O26 1 14.96519742 1.67667223 7.14338396 1 O O27 1 11.27603508 1.67667223 11.90462404 1 O O28 1 9.47804928 -0.43840422 11.28443360 1 O O29 1 14.46185591 -0.98146661 6.23528923 1 O O30 1 8.23449473 -0.03764353 3.03434767 1 O O31 1 18.44913227 0.03764353 9.66432433 1 O O32 1 8.53651733 -0.13888759 0.45899350 1 O O33 1 13.03409852 2.19614561 1.83847564 1 O O34 1 11.78414890 -0.25227616 9.95951765 1 O O35 1 20.46012232 0.55482176 7.81440719 1 O O36 1 20.90251682 -0.55482176 1.46507119 1 O O37 1 20.88891062 0.38732030 11.17199956 1 O O38 1 18.58950417 -0.13888759 5.89034250 1 O O39 1 16.76318322 -0.43840422 7.76357440 1 O O40 1 7.79210023 0.03764353 9.38368367 1 O O41 1 12.22177109 0.98146661 6.46338277 1 O O42 1 12.22654340 0.25227616 3.61018165 1 O O43 1 18.89152677 -0.03764353 3.31498833 1 O O44 1 14.45708360 -0.25227616 9.08849035 1 O O45 1 11.71842958 -1.67667223 5.55528804 1 O O46 1 14.89947810 0.25227616 2.73915435 1 O O47 1 14.09192298 2.19614561 4.51086036 1 O O48 1 5.79471638 -0.38732030 1.52667244 1 O O49 1 13.64952848 -2.19614561 10.86019636 1 O O50 1 12.59170402 -2.19614561 8.18781164 1 O O51 1 6.22350468 -0.55482176 4.88426481 1 O O52 1 8.09412283 0.13888759 6.80832950 1 O O53 1 14.01946141 0.98146661 12.58462523 1 O O54 1 15.40759192 -1.67667223 0.79404796 1 O O55 1 17.20557772 0.43840422 1.41423840 1 [/CIF]
As10Cs4Ga6O36
C2/c
15
monoclinic
2/m
4,147.133113
true
[CIF] data_GaPt2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36974386 _cell_length_b 4.36974386 _cell_length_c 3.43128171 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPt2Se _chemical_formula_sum 'Ga1 Pt2 Se1' _cell_volume 65.51916243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 2.18487193 1.71564085 1 Pt Pt2 1 2.18487193 0.00000000 1.71564085 1 Se Se3 1 2.18487193 2.18487193 0.00000000 1 [/CIF]
GaPt2Se
P4/mmm
123
tetragonal
4/mmm
13,656.81586
false
[CIF] data_SrV2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05874507 _cell_length_b 5.05874507 _cell_length_c 5.05874507 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrV2Cd _chemical_formula_sum 'Sr1 V2 Cd1' _cell_volume 91.54052175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57707294 3.57707294 3.57707294 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 5.36560941 5.36560941 5.36560941 1 V V3 1 1.78853647 1.78853647 1.78853647 1 [/CIF]
CdSrV2
Fm-3m
225
cubic
m-3m
5,476.700178
false
[CIF] data_Zn2CdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85872442 _cell_length_b 5.85872442 _cell_length_c 5.85872442 _cell_angle_alpha 143.54590736 _cell_angle_beta 130.79287708 _cell_angle_gamma 62.76380590 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CdPb _chemical_formula_sum 'Zn2 Cd1 Pb1' _cell_volume 89.42751984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.82605929 1 Pb Pb1 1 -0.00000000 2.43920556 2.64850427 1 Zn Zn2 1 -0.00000000 0.00000000 0.27263243 1 Zn Zn3 1 1.83251125 0.00000000 2.25616947 1 [/CIF]
CdPbZn2
Imm2
44
orthorhombic
mm2
8,362.734887
false
[CIF] data_KRu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46136285 _cell_length_b 3.46136285 _cell_length_c 6.33757223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRu2Br _chemical_formula_sum 'K1 Ru2 Br1' _cell_volume 75.93066063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16878612 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.73068142 1.73068142 1.97808013 1 Ru Ru3 1 1.73068142 1.73068142 4.35949210 1 [/CIF]
BrKRu2
P4/mmm
123
tetragonal
4/mmm
7,023.109383
false
[CIF] data_LaSn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38244732 _cell_length_b 5.38244732 _cell_length_c 5.38244732 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSn2Ge _chemical_formula_sum 'La1 Sn2 Ge1' _cell_volume 110.26161928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.80596500 3.80596500 3.80596500 1 Sn Sn2 1 1.90298250 1.90298250 1.90298250 1 Sn Sn3 1 5.70894750 5.70894750 5.70894750 1 [/CIF]
GeLaSn2
Fm-3m
225
cubic
m-3m
6,761.416233
false