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_LiLa2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29188951 _cell_length_b 3.29188951 _cell_length_c 10.09793229 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLa2Ta _chemical_formula_sum 'Li1 La2 Ta1' _cell_volume 109.42661242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.64594476 1.64594476 7.33895200 1 La La1 1 1.64594476 1.64594476 2.75898029 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 5.04896615 1 [/CIF]
La2LiTa
P4/mmm
123
tetragonal
4/mmm
7,067.172204
false
[CIF] data_SiAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40964318 _cell_length_b 5.40964318 _cell_length_c 5.40964318 _cell_angle_alpha 147.55218562 _cell_angle_beta 147.55218562 _cell_angle_gamma 46.54687117 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAgRu _chemical_formula_sum 'Si1 Ag1 Ru1' _cell_volume 45.40812279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06698085 1 Ru Ru1 1 0.00000000 -0.00000000 2.97747635 1 Si Si2 1 -0.00000000 0.00000000 6.89446028 1 [/CIF]
AgRuSi
I4mm
107
tetragonal
4mm
8,667.789671
false
[CIF] data_CrTc4Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20058411 _cell_length_b 5.20058411 _cell_length_c 5.20058411 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTc4Bi _chemical_formula_sum 'Cr1 Tc4 Bi1' _cell_volume 99.45837887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.51605243 5.51605243 5.51605243 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.59723184 4.59723184 2.75750474 1 Tc Tc3 1 4.59723184 2.75750474 4.59723184 1 Tc Tc4 1 2.75750474 4.59723184 4.59723184 1 Tc Tc5 1 2.75750474 2.75750474 2.75750474 1 [/CIF]
BiCrTc4
F-43m
216
cubic
-43m
10,962.496295
false
[CIF] data_ZrScNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61521719 _cell_length_b 5.61521719 _cell_length_c 2.87812736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.29020752 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScNb2 _chemical_formula_sum 'Zr1 Sc1 Nb2' _cell_volume 81.36235732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.48177118 -2.38474741 1.43906368 1 Nb Nb1 1 1.48177117 2.38474741 1.43906368 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.96354235 0.00000000 0.00000000 1 [/CIF]
Nb2ScZr
Cmmm
65
orthorhombic
mmm
6,571.606682
false
[CIF] data_In2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28192746 _cell_length_b 5.28192746 _cell_length_c 5.28192746 _cell_angle_alpha 141.18334859 _cell_angle_beta 141.18334859 _cell_angle_gamma 56.06088238 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2Rh _chemical_formula_sum 'In2 Rh1' _cell_volume 57.45203277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 -0.00000000 0.00000000 6.10603530 1 In In1 1 0.00000000 0.00000000 3.21865872 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2Rh
I4/mmm
139
tetragonal
4/mmm
9,611.496872
false
[CIF] data_GaP2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28103144 _cell_length_b 6.28103144 _cell_length_c 6.28103144 _cell_angle_alpha 148.62243501 _cell_angle_beta 148.31471103 _cell_angle_gamma 45.19462762 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaP2Pt _chemical_formula_sum 'Ga1 P2 Pt1' _cell_volume 67.55300797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.19131700 1 P P1 1 -0.00000000 1.71469858 5.45199305 1 P P2 1 -0.00000000 -0.00000000 2.26309791 1 Pt Pt3 1 -0.00000000 1.71469858 0.49006872 1 [/CIF]
GaP2Pt
Imm2
44
orthorhombic
mm2
8,032.042815
false
[CIF] data_NaSn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52411343 _cell_length_b 4.52411343 _cell_length_c 6.94230327 _cell_angle_alpha 98.93397093 _cell_angle_beta 98.93397093 _cell_angle_gamma 42.16826486 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSn2Ir _chemical_formula_sum 'Na1 Sn2 Ir1' _cell_volume 94.05751724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64350467 -0.00000000 3.42273535 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.18560444 0.00000000 4.74378620 1 Sn Sn3 1 6.10140489 -0.00000000 2.10168450 1 [/CIF]
IrNaSn2
C2/m
12
monoclinic
2/m
7,990.902323
false
[CIF] data_MgNb2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81575866 _cell_length_b 4.81575866 _cell_length_c 4.81575866 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNb2Pb _chemical_formula_sum 'Mg1 Nb2 Pb1' _cell_volume 78.97309260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 5.10788341 5.10788341 5.10788341 1 Nb Nb2 1 1.70262780 1.70262780 1.70262780 1 Pb Pb3 1 3.40525561 3.40525561 3.40525561 1 [/CIF]
MgNb2Pb
Fm-3m
225
cubic
m-3m
8,774.791779
false
[CIF] data_BaSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20108438 _cell_length_b 7.83941248 _cell_length_c 9.20914605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSe3 _chemical_formula_sum 'Ba4 Se12' _cell_volume 592.07150074 _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 0.88264613 1.95985312 5.45103472 1 Ba Ba1 1 3.21789606 5.87955936 0.84646170 1 Ba Ba2 1 4.98318832 1.95985312 8.36268435 1 Ba Ba3 1 7.31843825 5.87955936 3.75811133 1 Se Se4 1 0.24219492 1.95985312 2.21578058 1 Se Se5 1 3.85834727 5.87955936 6.82035361 1 Se Se6 1 4.34273711 1.95985312 2.38879244 1 Se Se7 1 7.95888946 5.87955936 6.99336547 1 Se Se8 1 6.57217729 7.76057778 6.31353047 1 Se Se9 1 5.72944928 0.07883470 1.70895744 1 Se Se10 1 2.47163510 3.99854094 7.50018861 1 Se Se11 1 1.62890709 3.84087154 2.89561558 1 Se Se12 1 1.62890709 0.07883470 2.89561558 1 Se Se13 1 2.47163510 7.76057778 7.50018861 1 Se Se14 1 5.72944928 3.84087154 1.70895744 1 Se Se15 1 6.57217729 3.99854094 6.31353047 1 [/CIF]
Ba4Se12
Pnma
62
orthorhombic
mmm
4,198.042579
false
[CIF] data_GaCu2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62642306 _cell_length_b 4.13532460 _cell_length_c 5.01436828 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.74249961 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCu2Tc _chemical_formula_sum 'Ga1 Cu2 Tc1' _cell_volume 53.82884814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53325666 0.00000000 0.14728261 1 Cu Cu1 1 1.46289484 2.06766230 1.12083601 1 Ga Ga2 1 1.34059849 0.00000000 2.57273893 1 Tc Tc3 1 0.08607681 2.06766230 3.59330508 1 [/CIF]
Cu2GaTc
Pm
6
monoclinic
m
9,122.554585
false
[CIF] data_ZrNb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.60269768 _cell_length_b 9.60269768 _cell_length_c 9.60269768 _cell_angle_alpha 18.89473536 _cell_angle_beta 18.89473536 _cell_angle_gamma 18.89473536 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNb2Br _chemical_formula_sum 'Zr1 Nb2 Br1' _cell_volume 81.14525595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 21.10729802 1 Nb Nb2 1 -0.00000000 0.00000000 7.17862235 1 Zr Zr3 1 0.00000000 -0.00000000 14.14296019 1 [/CIF]
BrNb2Zr
R-3m
166
trigonal
-3m
7,304.358944
false
[CIF] data_Al2CdTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67433969 _cell_length_b 3.67433969 _cell_length_c 6.69435506 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CdTe _chemical_formula_sum 'Al2 Cd1 Te1' _cell_volume 90.37896241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83716985 1.83716985 5.01724152 1 Al Al1 1 1.83716985 1.83716985 1.67711354 1 Cd Cd2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.34717753 1 [/CIF]
Al2CdTe
P4/mmm
123
tetragonal
4/mmm
5,401.206506
false
[CIF] data_AgIrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40947023 _cell_length_b 4.40947023 _cell_length_c 4.40947023 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgIrSe _chemical_formula_sum 'Ag1 Ir1 Se1' _cell_volume 60.62395231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.67694945 4.67694945 4.67694945 1 Ir Ir1 1 3.11796630 3.11796630 3.11796630 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgIrSe
F-43m
216
cubic
-43m
10,382.354475
false
[CIF] data_CaGaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61811225 _cell_length_b 4.61811225 _cell_length_c 4.61811225 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaIr _chemical_formula_sum 'Ca1 Ga1 Ir1' _cell_volume 69.64315821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 4.89824773 4.89824773 4.89824773 1 Ir Ir2 1 1.63274924 1.63274924 1.63274924 1 [/CIF]
CaGaIr
F-43m
216
cubic
-43m
7,201.176694
false
[CIF] data_ZnTeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68299479 _cell_length_b 4.68299479 _cell_length_c 4.68299479 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTeAs _chemical_formula_sum 'Zn1 Te1 As1' _cell_volume 72.61996330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65568869 1.65568869 1.65568869 1 Te Te1 1 4.96706606 4.96706606 4.96706606 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsTeZn
F-43m
216
cubic
-43m
6,125.878513
false
[CIF] data_Rb2NpSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88413817 _cell_length_b 5.88413817 _cell_length_c 5.88413817 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2NpSi _chemical_formula_sum 'Rb2 Np1 Si1' _cell_volume 144.05674192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Np Np0 1 4.16071400 4.16071400 4.16071400 1 Rb Rb1 1 2.08035700 2.08035700 2.08035700 1 Rb Rb2 1 6.24107100 6.24107100 6.24107100 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NpRb2Si
Fm-3m
225
cubic
m-3m
5,026.006147
false
[CIF] data_KTiFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42936203 _cell_length_b 5.42936203 _cell_length_c 5.42936203 _cell_angle_alpha 149.57303244 _cell_angle_beta 120.34224672 _cell_angle_gamma 68.44220873 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiFe2 _chemical_formula_sum 'K1 Ti1 Fe2' _cell_volume 69.09582796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42475296 -0.00000000 2.58423377 1 Fe Fe1 1 0.00000000 2.70062573 1.90516171 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 -0.00000000 0.00000000 4.48939548 1 [/CIF]
Fe2KTi
Immm
71
orthorhombic
mmm
4,774.165042
false
[CIF] data_Mn2NbGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33488410 _cell_length_b 4.33488410 _cell_length_c 4.33488410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NbGa _chemical_formula_sum 'Mn2 Nb1 Ga1' _cell_volume 57.59933538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06522594 3.06522594 3.06522594 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.59783891 4.59783891 4.59783891 1 Nb Nb3 1 1.53261297 1.53261297 1.53261297 1 [/CIF]
GaMn2Nb
F-43m
216
cubic
-43m
7,856.097225
false
[CIF] data_TaTcAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96360695 _cell_length_b 3.96360695 _cell_length_c 4.22969382 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTcAu2 _chemical_formula_sum 'Ta1 Tc1 Au2' _cell_volume 66.44925149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98180347 2.11484691 1 Au Au1 1 1.98180347 0.00000000 2.11484691 1 Ta Ta2 1 1.98180347 1.98180347 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2TaTc
P4/mmm
123
tetragonal
4/mmm
16,837.661419
false
[CIF] data_CdSi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24517027 _cell_length_b 5.24517027 _cell_length_c 2.92810986 _cell_angle_alpha 104.73816227 _cell_angle_beta 104.73816227 _cell_angle_gamma 112.17972702 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSi2W _chemical_formula_sum 'Cd1 Si2 W1' _cell_volume 66.38930457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 1.46311911 2.17651907 0.00000000 1 Si Si2 1 1.46311911 -2.17651907 0.00000000 1 W W3 1 2.92623823 -0.00000000 0.00000000 1 [/CIF]
CdSi2W
C2/m
12
monoclinic
2/m
8,814.830985
false
[CIF] data_HfPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43397287 _cell_length_b 3.43397287 _cell_length_c 5.67821411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPd3 _chemical_formula_sum 'Hf1 Pd3' _cell_volume 66.95846422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 2.83910705 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.71698644 1.71698644 4.23294219 1 Pd Pd3 1 1.71698644 1.71698644 1.44527192 1 [/CIF]
HfPd3
P4/mmm
123
tetragonal
4/mmm
12,343.9707
false
[CIF] data_TlGaAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65101286 _cell_length_b 4.65101286 _cell_length_c 4.65101286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaAgRu _chemical_formula_sum 'Tl1 Ga1 Ag1 Ru1' _cell_volume 71.14225421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64438136 1.64438136 1.64438136 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.93314410 4.93314410 4.93314410 1 Tl Tl3 1 3.28876273 3.28876273 3.28876273 1 [/CIF]
AgGaRuTl
F-43m
216
cubic
-43m
11,274.794032
false
[CIF] data_YSnHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52076003 _cell_length_b 4.52076003 _cell_length_c 4.81202589 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSnHg2 _chemical_formula_sum 'Y1 Sn1 Hg2' _cell_volume 98.34467848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 2.26038002 2.40601295 1 Hg Hg1 1 2.26038002 0.00000000 2.40601295 1 Sn Sn2 1 2.26038002 2.26038002 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2SnY
P4/mmm
123
tetragonal
4/mmm
10,279.540994
false
[CIF] data_CrTcGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09126421 _cell_length_b 4.09126421 _cell_length_c 4.09126421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTcGe _chemical_formula_sum 'Cr1 Tc1 Ge1' _cell_volume 48.42365692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 2.89296067 2.89296067 2.89296067 1 Tc Tc2 1 1.44648033 1.44648033 1.44648033 1 [/CIF]
CrGeTc
F-43m
216
cubic
-43m
7,665.689578
false
[CIF] data_NbAlCdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69330405 _cell_length_b 4.69330405 _cell_length_c 4.69330405 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlCdAu _chemical_formula_sum 'Nb1 Al1 Cd1 Au1' _cell_volume 73.10062217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 -0.00000000 0.00000000 1 Au Au1 1 4.97800068 4.97800068 4.97800068 1 Cd Cd2 1 1.65933356 1.65933356 1.65933356 1 Nb Nb3 1 3.31866712 3.31866712 3.31866712 1 [/CIF]
AlAuCdNb
F-43m
216
cubic
-43m
9,751.108691
false
[CIF] data_AgHgBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88606034 _cell_length_b 4.88606034 _cell_length_c 4.88606034 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHgBiIr _chemical_formula_sum 'Ag1 Hg1 Bi1 Ir1' _cell_volume 82.48243627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 3.45496640 3.45496640 3.45496640 1 Hg Hg2 1 1.72748320 1.72748320 1.72748320 1 Ir Ir3 1 5.18244960 5.18244960 5.18244960 1 [/CIF]
AgBiHgIr
F-43m
216
cubic
-43m
14,286.809422
false
[CIF] data_ErCo2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35815127 _cell_length_b 4.35815127 _cell_length_c 4.35815127 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErCo2Ge _chemical_formula_sum 'Er1 Co2 Ge1' _cell_volume 58.53180307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.62251747 4.62251747 4.62251747 1 Co Co1 1 1.54083916 1.54083916 1.54083916 1 Er Er2 1 3.08167832 3.08167831 3.08167832 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2ErGe
Fm-3m
225
cubic
m-3m
10,149.754076
false
[CIF] data_LiY2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11246489 _cell_length_b 5.11246489 _cell_length_c 5.11246489 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiY2As _chemical_formula_sum 'Li1 Y2 As1' _cell_volume 94.48786083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80752929 1.80752930 1.80752929 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.42258789 5.42258789 5.42258789 1 Y Y3 1 3.61505859 3.61505859 3.61505859 1 [/CIF]
AsLiY2
F-43m
216
cubic
-43m
4,563.541983
false
[CIF] data_LiMgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14185668 _cell_length_b 7.14185668 _cell_length_c 7.14185668 _cell_angle_alpha 158.35545509 _cell_angle_beta 158.35545509 _cell_angle_gamma 30.79774946 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgMo _chemical_formula_sum 'Li1 Mg1 Mo1' _cell_volume 49.52636303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.70509984 1 Mg Mg1 1 0.00000000 0.00000000 9.21467577 1 Mo Mo2 1 0.00000000 -0.00000000 4.62209806 1 [/CIF]
LiMgMo
I4mm
107
tetragonal
4mm
4,265.182756
false
[CIF] data_SrHgRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06277379 _cell_length_b 3.06277379 _cell_length_c 8.64261765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHgRu2 _chemical_formula_sum 'Sr1 Hg1 Ru2' _cell_volume 81.07279470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32130883 1 Ru Ru1 1 1.53138690 1.53138690 6.22147543 1 Ru Ru2 1 1.53138690 1.53138690 2.42114222 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgRu2Sr
P4/mmm
123
tetragonal
4/mmm
10,043.385507
false
[CIF] data_La4HfCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50391090 _cell_length_b 6.50391090 _cell_length_c 6.50391090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4HfCl _chemical_formula_sum 'La4 Hf1 Cl1' _cell_volume 194.53992800 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.29947975 2.29947975 2.29947975 1 La La2 1 3.48223249 3.48223249 5.71568651 1 La La3 1 3.48223249 5.71568651 3.48223249 1 La La4 1 5.71568651 3.48223249 3.48223249 1 La La5 1 5.71568651 5.71568651 5.71568651 1 [/CIF]
ClHfLa4
F-43m
216
cubic
-43m
6,568.793156
false
[CIF] data_MgZnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67584781 _cell_length_b 3.66521428 _cell_length_c 9.49091116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnSe _chemical_formula_sum 'Mg4 Zn4 Se4' _cell_volume 267.01375451 _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 0.36868809 0.91630357 3.51524956 1 Mg Mg1 1 3.46923582 2.74891071 8.26070514 1 Mg Mg2 1 7.30715972 2.74891071 5.97566160 1 Mg Mg3 1 4.20661199 0.91630357 1.23020602 1 Se Se4 1 7.43017954 0.91630357 7.89093032 1 Se Se5 1 4.08359218 2.74891071 3.14547474 1 Se Se6 1 0.24566827 2.74891071 1.59998084 1 Se Se7 1 3.59225563 0.91630357 6.34543642 1 Zn Zn8 1 5.44495813 0.91630357 4.50640098 1 Zn Zn9 1 6.06881358 2.74891071 9.25185656 1 Zn Zn10 1 2.23088968 2.74891071 4.98451018 1 Zn Zn11 1 1.60703423 0.91630357 0.23905460 1 [/CIF]
Mg4Se4Zn4
Pnma
62
orthorhombic
mmm
4,195.163824
false
[CIF] data_CrCo2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71390264 _cell_length_b 7.71390264 _cell_length_c 7.71390264 _cell_angle_alpha 19.27078249 _cell_angle_beta 19.27078249 _cell_angle_gamma 19.27078249 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2P _chemical_formula_sum 'Cr1 Co2 P1' _cell_volume 43.70608820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.88903885 1 Co Co1 1 0.00000000 0.00000000 5.81634085 1 Cr Cr2 1 -0.00000000 -0.00000000 11.35268985 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2CrP
R-3m
166
trigonal
-3m
7,630.434474
false
[CIF] data_GeTe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20345514 _cell_length_b 3.20345514 _cell_length_c 8.68016152 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeTe2Ru _chemical_formula_sum 'Ge1 Te2 Ru1' _cell_volume 89.07690110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81066808 1 Ru Ru1 1 1.60172757 1.60172757 6.43937999 1 Te Te2 1 0.00000000 0.00000000 7.96278133 1 Te Te3 1 1.60172757 1.60172757 2.48757440 1 [/CIF]
GeRuTe2
P4mm
99
tetragonal
4mm
7,996.286898
false
[CIF] data_Ba2YRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74369807 _cell_length_b 3.74369807 _cell_length_c 10.51450763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2YRh _chemical_formula_sum 'Ba2 Y1 Rh1' _cell_volume 147.36371844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87184904 1.87184904 10.10575194 1 Ba Ba1 1 0.00000000 0.00000000 3.49291702 1 Rh Rh2 1 1.87184904 1.87184904 5.75233729 1 Y Y3 1 0.00000000 0.00000000 6.93526283 1 [/CIF]
Ba2RhY
P4mm
99
tetragonal
4mm
5,256.273017
false
[CIF] data_ZrNb2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43939249 _cell_length_b 3.43939249 _cell_length_c 6.04657937 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNb2Si _chemical_formula_sum 'Zr1 Nb2 Si1' _cell_volume 71.52753117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.07369269 1 Nb Nb1 1 1.71969625 1.71969625 1.61479042 1 Si Si2 1 0.00000000 0.00000000 2.92353316 1 Zr Zr3 1 1.71969625 1.71969625 4.45785273 1 [/CIF]
Nb2SiZr
P4mm
99
tetragonal
4mm
7,083.530279
false
[CIF] data_AlVGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82361365 _cell_length_b 2.82361365 _cell_length_c 6.62670647 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVGa _chemical_formula_sum 'Al1 V1 Ga1' _cell_volume 45.75503706 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.55321702 1 Ga Ga1 1 1.41180683 0.81510705 2.27318901 1 V V2 1 0.00000000 1.63021410 4.42700698 1 [/CIF]
AlGaV
P3m1
156
trigonal
3m
5,358.361185
false
[CIF] data_ZrTaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36504236 _cell_length_b 4.36504236 _cell_length_c 4.36504236 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaCu _chemical_formula_sum 'Zr1 Ta1 Cu1' _cell_volume 58.80989294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 4.62982658 4.62982658 4.62982658 1 Zr Zr2 1 1.54327553 1.54327553 1.54327553 1 [/CIF]
CuTaZr
F-43m
216
cubic
-43m
9,479.232613
false
[CIF] data_SrMgIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12267128 _cell_length_b 5.12267128 _cell_length_c 5.12267128 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgIrPb _chemical_formula_sum 'Sr1 Mg1 Ir1 Pb1' _cell_volume 95.05489073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81113780 1.81113780 1.81113780 1 Mg Mg1 1 0.00000000 -0.00000000 0.00000000 1 Pb Pb2 1 5.43341340 5.43341340 5.43341340 1 Sr Sr3 1 3.62227560 3.62227560 3.62227560 1 [/CIF]
IrMgPbSr
F-43m
216
cubic
-43m
8,932.768854
false
[CIF] data_TePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38306522 _cell_length_b 4.38306522 _cell_length_c 3.37445098 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePd2 _chemical_formula_sum 'Te1 Pd2' _cell_volume 56.14222519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53056389 2.36705571 1 Pd Pd1 1 2.19153261 1.26528194 1.00739527 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2Te
P-3m1
164
trigonal
-3m
10,069.318025
false
[CIF] data_AlAg2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57959753 _cell_length_b 6.57959753 _cell_length_c 6.57959753 _cell_angle_alpha 155.58238510 _cell_angle_beta 148.81923122 _cell_angle_gamma 39.99552002 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAg2B _chemical_formula_sum 'Al1 Ag2 B1' _cell_volume 60.85142824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39142066 0.00000000 2.14308232 1 Ag Ag1 1 -0.00000000 1.76832062 4.03980490 1 Al Al2 1 0.00000000 0.00000000 6.18288722 1 B B3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AlB
Immm
71
orthorhombic
mmm
6,918.473419
false
[CIF] data_KHfCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96157898 _cell_length_b 4.96157898 _cell_length_c 4.96157898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfCoBi _chemical_formula_sum 'K1 Hf1 Co1 Bi1' _cell_volume 86.36638230 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.26254921 5.26254921 5.26254921 1 Co Co1 1 3.50836614 3.50836614 3.50836614 1 Hf Hf2 1 1.75418307 1.75418307 1.75418307 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCoHfK
F-43m
216
cubic
-43m
9,334.5911
false
[CIF] data_La2CdP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42328981 _cell_length_b 4.42328981 _cell_length_c 6.30285999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CdP _chemical_formula_sum 'La2 Cd1 P1' _cell_volume 123.31856140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.21164490 2.21164490 5.45083774 1 La La1 1 0.00000000 0.00000000 5.61539104 1 La La2 1 2.21164490 2.21164490 2.34250601 1 P P3 1 0.00000000 0.00000000 2.34841519 1 [/CIF]
CdLa2P
P4mm
99
tetragonal
4mm
5,671.586742
false
[CIF] data_CaLaZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25725225 _cell_length_b 5.25725225 _cell_length_c 5.25725225 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaZn2 _chemical_formula_sum 'Ca1 La1 Zn2' _cell_volume 102.74517777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 -0.00000000 0.00000000 0.00000000 1 La La1 1 3.71743871 3.71743871 3.71743871 1 Zn Zn2 1 5.57615807 5.57615807 5.57615807 1 Zn Zn3 1 1.85871936 1.85871936 1.85871936 1 [/CIF]
CaLaZn2
Fm-3m
225
cubic
m-3m
5,006.03681
false
[CIF] data_ZnBi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11739961 _cell_length_b 4.28896900 _cell_length_c 6.63758118 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.56027703 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBi2Se _chemical_formula_sum 'Zn1 Bi2 Se1' _cell_volume 138.10694775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.85012361 2.14448450 5.64999408 1 Bi Bi1 1 0.70912983 0.00000000 5.36431734 1 Se Se2 1 3.49177305 2.14448450 2.92997116 1 Zn Zn3 1 3.01928146 0.00000000 1.78660753 1 [/CIF]
Bi2SeZn
Pm
6
monoclinic
m
6,760.865118
false
[CIF] data_MnZnCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05733488 _cell_length_b 5.05733488 _cell_length_c 5.05733488 _cell_angle_alpha 131.08611257 _cell_angle_beta 131.08611257 _cell_angle_gamma 71.67629993 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZnCd2 _chemical_formula_sum 'Mn1 Zn1 Cd2' _cell_volume 71.89383878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09378374 2.04992532 1 Cd Cd1 1 2.09378374 -0.00000000 2.04992533 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 4.09985065 1 [/CIF]
Cd2MnZn
I4/mmm
139
tetragonal
4/mmm
7,971.733571
false
[CIF] data_KZrMnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86723969 _cell_length_b 4.86723969 _cell_length_c 4.86723969 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrMnRu _chemical_formula_sum 'K1 Zr1 Mn1 Ru1' _cell_volume 81.53295890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 5.16248729 5.16248729 5.16248729 1 Ru Ru2 1 1.72082910 1.72082910 1.72082910 1 Zr Zr3 1 3.44165819 3.44165819 3.44165819 1 [/CIF]
KMnRuZr
F-43m
216
cubic
-43m
5,831.540155
false
[CIF] data_ZrNbV3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54867972 _cell_length_b 4.54867972 _cell_length_c 4.54867972 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbV3 _chemical_formula_sum 'Zr1 Nb1 V3' _cell_volume 94.11439950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27433986 2.27433986 2.27433986 1 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.27433986 0.00000000 1 V V3 1 0.00000000 0.00000000 2.27433986 1 V V4 1 2.27433986 0.00000000 0.00000000 1 [/CIF]
NbV3Zr
Pm-3m
221
cubic
m-3m
5,945.176773
false
[CIF] data_TaNbSnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64495476 _cell_length_b 4.64495476 _cell_length_c 4.64495476 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbSnOs _chemical_formula_sum 'Ta1 Nb1 Sn1 Os1' _cell_volume 70.86462088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.64223951 1.64223951 1.64223951 1 Sn Sn2 1 3.28447901 3.28447901 3.28447901 1 Ta Ta3 1 4.92671852 4.92671852 4.92671852 1 [/CIF]
NbOsSnTa
F-43m
216
cubic
-43m
13,656.35806
false
[CIF] data_HfScTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26525493 _cell_length_b 5.26525493 _cell_length_c 3.05388402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.50617633 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScTi2 _chemical_formula_sum 'Hf1 Sc1 Ti2' _cell_volume 80.28460298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07599311 0.00000000 0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.53799656 2.13665485 1.52694201 1 Ti Ti3 1 1.53799656 -2.13665485 1.52694201 1 [/CIF]
HfScTi2
Cmmm
65
orthorhombic
mmm
6,602.462223
false
[CIF] data_Tc2AgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83368371 _cell_length_b 2.83368371 _cell_length_c 9.52147206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.97716108 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2AgBr _chemical_formula_sum 'Tc2 Ag1 Br1' _cell_volume 67.52020854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76073603 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.45993908 0.00000000 2.31068017 1 Tc Tc3 1 1.45993908 0.00000000 7.21079189 1 [/CIF]
AgBrTc2
Cmmm
65
orthorhombic
mmm
9,482.765317
false
[CIF] data_PS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28718773 _cell_length_b 3.28718773 _cell_length_c 3.43571500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PS _chemical_formula_sum 'P1 S1' _cell_volume 32.15116961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 S S1 1 1.64359388 0.94892935 1.71785750 1 [/CIF]
PS
P-6m2
187
hexagonal
-6m2
3,256.214424
false
[CIF] data_MgTaZnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52929297 _cell_length_b 4.52929297 _cell_length_c 4.52929297 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaZnW _chemical_formula_sum 'Mg1 Ta1 Zn1 W1' _cell_volume 65.70164459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.60134689 1.60134689 1.60134688 1 W W2 1 4.80404066 4.80404066 4.80404066 1 Zn Zn3 1 3.20269377 3.20269377 3.20269377 1 [/CIF]
MgTaWZn
F-43m
216
cubic
-43m
11,486.317833
false
[CIF] data_Gd2VCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89943543 _cell_length_b 4.89943543 _cell_length_c 4.89943543 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2VCo _chemical_formula_sum 'Gd2 V1 Co1' _cell_volume 83.16165400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46442402 3.46442402 3.46442402 1 Gd Gd1 1 1.73221201 1.73221201 1.73221201 1 Gd Gd2 1 5.19663603 5.19663603 5.19663603 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoGd2V
Fm-3m
225
cubic
m-3m
8,473.746324
false
[CIF] data_VCr2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.41941289 _cell_length_b 4.18581130 _cell_length_c 4.86154999 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.86298248 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCr2Cu _chemical_formula_sum 'V1 Cr2 Cu1' _cell_volume 48.64604540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64916298 2.09290565 1.17166910 1 Cr Cr1 1 0.02122091 2.09290565 3.63183211 1 Cu Cu2 1 0.83519195 0.00000000 2.40175060 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2CuV
P2/m
10
monoclinic
2/m
7,457.832885
false
[CIF] data_Ba2NbInO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89296286 _cell_length_b 5.89296286 _cell_length_c 5.89296286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NbInO6 _chemical_formula_sum 'Ba2 Nb1 In1 O6' _cell_volume 144.70585855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08347700 2.08347700 2.08347700 1 Ba Ba1 1 6.25043100 6.25043100 6.25043100 1 In In2 1 4.16695400 4.16695400 4.16695400 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 O O4 1 4.16695400 2.00711390 4.16695400 1 O O5 1 2.00711390 4.16695400 4.16695400 1 O O6 1 4.16695400 4.16695400 6.32679410 1 O O7 1 4.16695400 6.32679410 4.16695400 1 O O8 1 4.16695400 4.16695400 2.00711390 1 O O9 1 6.32679410 4.16695400 4.16695400 1 [/CIF]
Ba2InNbO6
Fm-3m
225
cubic
m-3m
6,637.007838
false
[CIF] data_MgBi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20349797 _cell_length_b 5.20349797 _cell_length_c 5.20349797 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi2Pd _chemical_formula_sum 'Mg1 Bi2 Pd1' _cell_volume 99.62565057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.67942870 3.67942870 3.67942870 1 Bi Bi1 1 1.83971435 1.83971435 1.83971435 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 5.51914305 5.51914305 5.51914305 1 [/CIF]
Bi2MgPd
F-43m
216
cubic
-43m
9,145.377732
false
[CIF] data_VZnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10801156 _cell_length_b 5.10801156 _cell_length_c 5.10801156 _cell_angle_alpha 145.20770549 _cell_angle_beta 131.61419262 _cell_angle_gamma 60.96542084 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnIr2 _chemical_formula_sum 'V1 Zn1 Ir2' _cell_volume 56.29022910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.73706107 1 Ir Ir1 1 1.52717606 -0.00000000 2.31519872 1 V V2 1 0.00000000 0.00000000 4.38983341 1 Zn Zn3 1 0.00000000 2.09331453 2.16588212 1 [/CIF]
Ir2VZn
Imm2
44
orthorhombic
mm2
14,772.085385
false
[CIF] data_TaCuB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64471018 _cell_length_b 3.64471018 _cell_length_c 3.16648301 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCuB2 _chemical_formula_sum 'Ta1 Cu1 B2' _cell_volume 42.06328259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82235509 0.00000000 1.58324150 1 B B1 1 0.00000000 1.82235509 1.58324150 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.82235509 1.82235509 0.00000000 1 [/CIF]
B2CuTa
P4/mmm
123
tetragonal
4/mmm
10,505.499993
false
[CIF] data_As2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49670751 _cell_length_b 4.49670751 _cell_length_c 4.49670751 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2PtRh _chemical_formula_sum 'As2 Pt1 Rh1' _cell_volume 64.29377406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76947856 4.76947856 4.76947856 1 As As1 1 1.58982619 1.58982619 1.58982619 1 Pt Pt2 1 3.17965237 3.17965237 3.17965237 1 Rh Rh3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
As2PtRh
Fm-3m
225
cubic
m-3m
11,566.340668
false
[CIF] data_TiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16975549 _cell_length_b 3.16975549 _cell_length_c 9.11614526 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCl _chemical_formula_sum 'Ti2 Cl2' _cell_volume 79.32195236 _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 1.58487775 0.91502959 7.34572895 1 Cl Cl1 1 -0.00000000 1.83005919 1.77041631 1 Ti Ti2 1 1.58487775 0.91502959 3.44781429 1 Ti Ti3 1 -0.00000000 1.83005919 5.66833097 1 [/CIF]
Cl2Ti2
P-3m1
164
trigonal
-3m
3,488.46973
false
[CIF] data_LiYTcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64142637 _cell_length_b 4.64142637 _cell_length_c 4.64142637 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYTcPt _chemical_formula_sum 'Li1 Y1 Tc1 Pt1' _cell_volume 70.70325335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 4.92297609 4.92297609 4.92297609 1 Tc Tc2 1 1.64099203 1.64099203 1.64099203 1 Y Y3 1 3.28198406 3.28198406 3.28198406 1 [/CIF]
LiPtTcY
F-43m
216
cubic
-43m
9,155.726511
false
[CIF] data_ZnFeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65482634 _cell_length_b 2.65482634 _cell_length_c 8.63465952 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.51625347 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeRe2 _chemical_formula_sum 'Zn1 Fe1 Re2' _cell_volume 56.99791874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14679714 1 Re Re1 1 1.51293301 0.00000000 0.08787182 1 Re Re2 1 0.00000000 0.00000000 6.50460472 1 Zn Zn3 1 1.51293301 0.00000000 4.21271559 1 [/CIF]
FeRe2Zn
Cmm2
35
orthorhombic
mm2
14,381.346941
false
[CIF] data_MoAsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17023625 _cell_length_b 4.17023625 _cell_length_c 4.17023625 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAsRu _chemical_formula_sum 'Mo1 As1 Ru1' _cell_volume 51.28223905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.94880233 2.94880233 2.94880233 1 Ru Ru2 1 1.47440116 1.47440116 1.47440116 1 [/CIF]
AsMoRu
F-43m
216
cubic
-43m
8,805.89975
false
[CIF] data_KNaZnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15622754 _cell_length_b 5.15622754 _cell_length_c 5.15622754 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaZnFe _chemical_formula_sum 'K1 Na1 Zn1 Fe1' _cell_volume 96.93513624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64600346 3.64600346 3.64600346 1 K K1 1 1.82300173 1.82300173 1.82300173 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 5.46900519 5.46900519 5.46900519 1 [/CIF]
FeKNaZn
F-43m
216
cubic
-43m
3,140.228866
false
[CIF] data_SnAs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11491300 _cell_length_b 7.11491300 _cell_length_c 7.11491300 _cell_angle_alpha 150.59277994 _cell_angle_beta 131.42572250 _cell_angle_gamma 57.80513074 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnAs2Br _chemical_formula_sum 'Sn1 As2 Br1' _cell_volume 131.67082286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.20559832 1 As As1 1 -0.00000000 2.92643319 3.33208877 1 Br Br2 1 0.00000000 0.00000000 6.28633152 1 Sn Sn3 1 1.80589931 -0.00000000 4.09078130 1 [/CIF]
As2BrSn
Imm2
44
orthorhombic
mm2
4,394.495159
false
[CIF] data_TaCd2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38095314 _cell_length_b 4.21714151 _cell_length_c 5.19046572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCd2P _chemical_formula_sum 'Ta1 Cd2 P1' _cell_volume 74.00544135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.69047657 0.00000000 2.59523286 1 Cd Cd1 1 0.00000000 2.10857076 2.59523286 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.69047657 2.10857076 0.00000000 1 [/CIF]
Cd2PTa
Pmmm
47
orthorhombic
mmm
9,799.68319
false
[CIF] data_TaGe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54889245 _cell_length_b 4.66293016 _cell_length_c 4.98940036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGe2Bi _chemical_formula_sum 'Ta1 Ge2 Bi1' _cell_volume 82.56578284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33146508 2.49470018 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 1.77444622 0.00000000 2.49470018 1 Ta Ta3 1 1.77444622 2.33146508 0.00000000 1 [/CIF]
BiGe2Ta
Pmmm
47
orthorhombic
mmm
10,763.953628
false
[CIF] data_VReAgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36024579 _cell_length_b 4.36024579 _cell_length_c 4.36024579 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VReAgP _chemical_formula_sum 'V1 Re1 Ag1 P1' _cell_volume 58.61623441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 4.62473904 4.62473904 4.62473904 1 Re Re2 1 3.08315936 3.08315936 3.08315936 1 Ag Ag3 1 1.54157968 1.54157968 1.54157968 1 [/CIF]
AgPReV
F-43m
216
cubic
-43m
10,651.432271
false
[CIF] data_Tl2Tc2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26763425 _cell_length_b 5.26763425 _cell_length_c 5.26763425 _cell_angle_alpha 119.09929522 _cell_angle_beta 119.09929522 _cell_angle_gamma 91.56727715 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2Tc2Os _chemical_formula_sum 'Tl2 Tc2 Os1' _cell_volume 104.71977665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Tc Tc1 1 -0.00000000 0.00000000 4.78527517 1 Tc Tc2 1 -0.00000000 0.00000000 2.56170287 1 Tl Tl3 1 -0.00000000 2.66959257 1.83674451 1 Tl Tl4 1 2.66959257 0.00000000 1.83674451 1 [/CIF]
OsTc2Tl2
I4/mmm
139
tetragonal
4/mmm
12,634.98181
false
[CIF] data_TaTeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89141475 _cell_length_b 4.89141475 _cell_length_c 5.40811498 _cell_angle_alpha 97.82233255 _cell_angle_beta 97.82233255 _cell_angle_gamma 41.36177892 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTeAs2 _chemical_formula_sum 'Ta1 Te1 As2' _cell_volume 84.59554841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47775949 0.00000000 3.63121962 1 As As1 1 6.88793229 0.00000000 1.71936271 1 Ta Ta2 1 4.18284589 0.00000000 2.67529116 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2TaTe
C2/m
12
monoclinic
2/m
8,997.829205
false
[CIF] data_KLi2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27399581 _cell_length_b 5.27399581 _cell_length_c 5.27399581 _cell_angle_alpha 130.77408173 _cell_angle_beta 130.77408173 _cell_angle_gamma 72.17226239 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLi2B _chemical_formula_sum 'K1 Li2 B1' _cell_volume 82.25524704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.26208731 1 K K1 1 -0.00000000 2.19654770 2.13104366 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Li Li3 1 2.19654770 -0.00000000 2.13104366 1 [/CIF]
BKLi2
I-4m2
119
tetragonal
-42m
1,287.795607
false
[CIF] data_LiTlSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94894304 _cell_length_b 5.94894304 _cell_length_c 5.59922014 _cell_angle_alpha 102.91160237 _cell_angle_beta 102.91160237 _cell_angle_gamma 33.79126583 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlSb2 _chemical_formula_sum 'Li1 Tl1 Sb2' _cell_volume 107.16095938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01143681 0.00000000 4.09568046 1 Sb Sb1 1 11.11598291 0.00000000 0.09489137 1 Sb Sb2 1 8.24189493 0.00000000 1.11019838 1 Tl Tl3 1 5.13013370 -0.00000000 2.86583392 1 [/CIF]
LiSb2Tl
Cm
8
monoclinic
m
7,048.151993
false
[CIF] data_Zr2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93855631 _cell_length_b 5.93855631 _cell_length_c 5.93855631 _cell_angle_alpha 148.86812222 _cell_angle_beta 148.86812222 _cell_angle_gamma 44.60545971 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Be _chemical_formula_sum 'Zr2 Be1' _cell_volume 55.81211012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zr Zr1 1 0.00000000 0.00000000 7.12937447 1 Zr Zr2 1 0.00000000 -0.00000000 3.85923081 1 [/CIF]
BeZr2
I4/mmm
139
tetragonal
4/mmm
5,696.382223
false
[CIF] data_K3YFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40292003 _cell_length_b 8.40292003 _cell_length_c 8.40292003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3YFe _chemical_formula_sum 'K3 Y1 Fe1' _cell_volume 593.32232684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 4.20146001 4.20146001 4.20146001 1 K K1 1 0.00000000 4.20146001 0.00000000 1 K K2 1 0.00000000 0.00000000 4.20146001 1 K K3 1 4.20146001 0.00000000 0.00000000 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeK3Y
Pm-3m
221
cubic
m-3m
733.390917
false
[CIF] data_ScSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99063430 _cell_length_b 5.99063430 _cell_length_c 4.95407844 _cell_angle_alpha 104.48534859 _cell_angle_beta 104.48534859 _cell_angle_gamma 33.65632361 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSn _chemical_formula_sum 'Sc2 Sn2' _cell_volume 95.10938167 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 9.11594071 0.00000000 3.47006091 1 Sc Sc1 1 1.05764332 -0.00000000 1.31187033 1 Sn Sn2 1 6.07446025 0.00000000 3.67137051 1 Sn Sn3 1 4.09912378 0.00000000 1.11056073 1 [/CIF]
Sc2Sn2
C2/m
12
monoclinic
2/m
5,714.970195
false
[CIF] data_B3PbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34290635 _cell_length_b 4.34290635 _cell_length_c 4.34290635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B3PbBr _chemical_formula_sum 'B3 Pb1 Br1' _cell_volume 81.91084254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.17145317 2.17145317 2.17145317 1 B B1 1 0.00000000 2.17145317 0.00000000 1 B B2 1 0.00000000 0.00000000 2.17145317 1 B B3 1 2.17145317 0.00000000 0.00000000 1 Br Br4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B3BrPb
Pm-3m
221
cubic
m-3m
6,477.819728
false
[CIF] data_ScNbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10950896 _cell_length_b 3.10950896 _cell_length_c 8.90600943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbCl2 _chemical_formula_sum 'Sc1 Nb1 Cl2' _cell_volume 86.11261461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55475448 1.55475448 8.28422961 1 Cl Cl1 1 0.00000000 0.00000000 2.88695857 1 Nb Nb2 1 1.55475448 1.55475448 4.39074316 1 Sc Sc3 1 0.00000000 0.00000000 6.70309223 1 [/CIF]
Cl2NbSc
P4mm
99
tetragonal
4mm
4,025.75054
false
[CIF] data_VSi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18304537 _cell_length_b 3.18304537 _cell_length_c 5.35668136 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSi2Mo _chemical_formula_sum 'V1 Si2 Mo1' _cell_volume 54.27270543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59152268 1.59152268 4.08583169 1 Si Si1 1 0.00000000 0.00000000 5.35228685 1 Si Si2 1 1.59152268 1.59152268 1.35984311 1 V V3 1 0.00000000 0.00000000 2.59374175 1 [/CIF]
MoSi2V
P4mm
99
tetragonal
4mm
6,213.248758
false
[CIF] data_SrDy _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29458528 _cell_length_b 4.29458528 _cell_length_c 4.29458528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrDy _chemical_formula_sum 'Sr1 Dy1' _cell_volume 79.20702354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 2.14729264 2.14729264 2.14729264 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
DySr
Pm-3m
221
cubic
m-3m
5,243.651545
false
[CIF] data_ScNbTlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12814078 _cell_length_b 5.12814078 _cell_length_c 5.12814078 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbTlSn _chemical_formula_sum 'Sc1 Nb1 Tl1 Sn1' _cell_volume 95.35968754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.81307156 1.81307156 1.81307156 1 Sc Sc1 1 0.00000000 -0.00000000 0.00000000 1 Sn Sn2 1 5.43921468 5.43921468 5.43921468 1 Tl Tl3 1 3.62614312 3.62614312 3.62614312 1 [/CIF]
NbScSnTl
F-43m
216
cubic
-43m
8,026.817078
false
[CIF] data_Ba3ZnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04226452 _cell_length_b 6.04226452 _cell_length_c 6.04226452 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3ZnW _chemical_formula_sum 'Ba3 Zn1 W1' _cell_volume 220.59679687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 3.02113226 0.00000000 3.02113226 1 Ba Ba2 1 3.02113226 3.02113226 0.00000000 1 Ba Ba3 1 0.00000000 3.02113226 3.02113226 1 W W4 1 3.02113226 3.02113226 3.02113226 1 [/CIF]
Ba3WZn
Pm-3m
221
cubic
m-3m
4,977.180571
false
[CIF] data_Mn2TlCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80081489 _cell_length_b 4.80081489 _cell_length_c 3.08026829 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2TlCl _chemical_formula_sum 'Mn2 Tl1 Cl1' _cell_volume 70.99348021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.00000000 2.40040745 1.54013414 1 Mn Mn2 1 2.40040745 0.00000000 1.54013414 1 Tl Tl3 1 2.40040745 2.40040745 0.00000000 1 [/CIF]
ClMn2Tl
P4/mmm
123
tetragonal
4/mmm
8,179.780508
false
[CIF] data_Be2SnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62944872 _cell_length_b 4.62944872 _cell_length_c 4.62944872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2SnCl _chemical_formula_sum 'Be2 Sn1 Cl1' _cell_volume 70.15729475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.63675729 1.63675729 1.63675729 1 Be Be1 1 4.91027187 4.91027187 4.91027187 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.27351458 3.27351458 3.27351458 1 [/CIF]
Be2ClSn
Fm-3m
225
cubic
m-3m
4,075.468498
false
[CIF] data_Sn3PbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76190074 _cell_length_b 5.76190074 _cell_length_c 5.76190074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn3PbAu _chemical_formula_sum 'Sn3 Pb1 Au1' _cell_volume 191.29222441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.88095037 2.88095037 2.88095037 1 Au Au1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 2.88095037 0.00000000 2.88095037 1 Sn Sn3 1 2.88095037 2.88095037 0.00000000 1 Sn Sn4 1 0.00000000 2.88095037 2.88095037 1 [/CIF]
AuPbSn3
Pm-3m
221
cubic
m-3m
6,599.861332
false
[CIF] data_LaTlInW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17320342 _cell_length_b 5.17320342 _cell_length_c 5.17320342 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlInW _chemical_formula_sum 'La1 Tl1 In1 W1' _cell_volume 97.89571229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 5.48701083 5.48701083 5.48701083 1 Tl Tl2 1 3.65800722 3.65800722 3.65800722 1 W W3 1 1.82900361 1.82900361 1.82900361 1 [/CIF]
InLaTlW
F-43m
216
cubic
-43m
10,888.910917
false
[CIF] data_AlPCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46548362 _cell_length_b 4.46548362 _cell_length_c 4.46548362 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPCl _chemical_formula_sum 'Al1 P1 Cl1' _cell_volume 62.96373821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.57878688 1.57878688 1.57878688 1 P P2 1 3.15757375 3.15757375 3.15757375 1 [/CIF]
AlClP
F-43m
216
cubic
-43m
2,463.451769
false
[CIF] data_BeCoRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78009252 _cell_length_b 2.78009252 _cell_length_c 6.15536806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoRh2 _chemical_formula_sum 'Be1 Co1 Rh2' _cell_volume 47.57431296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 0.00000000 0.00000000 3.07768403 1 Rh Rh2 1 1.39004626 1.39004626 4.76194575 1 Rh Rh3 1 1.39004626 1.39004626 1.39342231 1 [/CIF]
BeCoRh2
P4/mmm
123
tetragonal
4/mmm
9,555.222776
false
[CIF] data_LaSb2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57060497 _cell_length_b 4.57060497 _cell_length_c 4.52817796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSb2Ru _chemical_formula_sum 'La1 Sb2 Ru1' _cell_volume 94.59558355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28530248 2.28530248 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 2.28530248 2.26408898 1 Sb Sb3 1 2.28530248 0.00000000 2.26408898 1 [/CIF]
LaRuSb2
P4/mmm
123
tetragonal
4/mmm
8,487.508818
false
[CIF] data_Zr2ReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66010806 _cell_length_b 4.66010806 _cell_length_c 4.66010806 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ReOs _chemical_formula_sum 'Zr2 Re1 Os1' _cell_volume 71.56043372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29519401 3.29519401 3.29519401 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.64759701 1.64759701 1.64759700 1 Zr Zr3 1 4.94279102 4.94279102 4.94279102 1 [/CIF]
OsReZr2
Fm-3m
225
cubic
m-3m
12,968.763994
false
[CIF] data_Li2SbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13937291 _cell_length_b 5.13937291 _cell_length_c 3.04215873 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.83844782 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SbAs _chemical_formula_sum 'Li2 Sb1 As1' _cell_volume 76.48995927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.51335318 2.07678854 1.52107937 1 Li Li2 1 1.51335318 -2.07678854 1.52107937 1 Sb Sb3 1 3.02670636 -0.00000000 0.00000000 1 [/CIF]
AsLi2Sb
Cmmm
65
orthorhombic
mmm
4,571.176232
false
[CIF] data_YGeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88972407 _cell_length_b 4.31282312 _cell_length_c 7.66602449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGeIr _chemical_formula_sum 'Y4 Ge4 Ir4' _cell_volume 227.78948792 _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 Ge Ge0 1 1.43543054 1.07820578 0.85435643 1 Ge Ge1 1 2.00943150 3.23461734 4.68736867 1 Ge Ge2 1 5.45429353 3.23461734 6.81166806 1 Ge Ge3 1 4.88029257 1.07820578 2.97865582 1 Ir Ir4 1 2.33977021 1.07820578 3.33781581 1 Ir Ir5 1 1.10509183 3.23461734 7.17082806 1 Ir Ir6 1 4.54995386 3.23461734 4.32820868 1 Ir Ir7 1 5.78463224 1.07820578 0.49519643 1 Y Y8 1 6.84106684 1.07820578 5.29506478 1 Y Y9 1 3.49351926 3.23461734 1.46205254 1 Y Y10 1 0.04865723 3.23461734 2.37095971 1 Y Y11 1 3.39620481 1.07820578 6.20397195 1 [/CIF]
Ge4Ir4Y4
Pnma
62
orthorhombic
mmm
10,315.437084
false
[CIF] data_PaInO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79980400 _cell_length_b 3.79980400 _cell_length_c 5.29375900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaInO4 _chemical_formula_sum 'Pa1 In1 O4' _cell_volume 76.43399458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 1.89990200 1.89990200 2.64687950 1 In In1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 1.89990200 0.00000000 3.94481392 1 O O3 1 0.00000000 1.89990200 1.34894508 1 O O4 1 1.89990200 0.00000000 1.34894508 1 O O5 1 0.00000000 1.89990200 3.94481392 1 [/CIF]
InO4Pa
P4/mmm
123
tetragonal
4/mmm
8,904.07989
false
[CIF] data_KYRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96650811 _cell_length_b 4.96650811 _cell_length_c 4.96650811 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYRhAu _chemical_formula_sum 'K1 Y1 Rh1 Au1' _cell_volume 86.62404264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51185156 3.51185156 3.51185156 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 5.26777734 5.26777734 5.26777734 1 Y Y3 1 1.75592578 1.75592578 1.75592578 1 [/CIF]
AuKRhY
F-43m
216
cubic
-43m
8,202.170618
false
[CIF] data_Co2CuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93763178 _cell_length_b 3.93763178 _cell_length_c 6.07675742 _cell_angle_alpha 100.85014845 _cell_angle_beta 100.85014845 _cell_angle_gamma 47.99288354 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2CuBr _chemical_formula_sum 'Co2 Cu1 Br1' _cell_volume 68.50878150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.42921669 -0.00000000 1.37445056 1 Co Co1 1 -1.07685777 -0.00000000 5.44362949 1 Co Co2 1 1.10552121 0.00000000 4.59362857 1 Cu Cu3 1 3.20374968 -0.00000000 3.45419002 1 [/CIF]
BrCo2Cu
Cm
8
monoclinic
m
6,333.875232
false
[CIF] data_SnBrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10226749 _cell_length_b 5.10226749 _cell_length_c 5.10226749 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBrCl _chemical_formula_sum 'Sn1 Br1 Cl1' _cell_volume 93.92358713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.41177191 5.41177191 5.41177191 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.60784794 3.60784794 3.60784794 1 [/CIF]
BrClSn
F-43m
216
cubic
-43m
4,138.229912
false
[CIF] data_TaCd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07301647 _cell_length_b 5.74961285 _cell_length_c 5.06208262 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.66722626 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCd2Br _chemical_formula_sum 'Ta1 Cd2 Br1' _cell_volume 89.40232815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 0.76145745 2.87480643 3.75391070 1 Cd Cd2 1 2.16428035 2.87480643 1.30602897 1 Ta Ta3 1 -0.07363933 0.00000000 2.52996984 1 [/CIF]
BrCd2Ta
P2/m
10
monoclinic
2/m
9,020.799212
false
[CIF] data_BaCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98696993 _cell_length_b 3.98696993 _cell_length_c 7.70377798 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCd3 _chemical_formula_sum 'Ba1 Cd3' _cell_volume 122.45870952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 3.85188899 1 Cd Cd1 1 1.99348496 1.99348496 1.53963963 1 Cd Cd2 1 0.00000000 0.00000000 0.00000000 1 Cd Cd3 1 1.99348496 1.99348496 6.16413835 1 [/CIF]
BaCd3
P4/mmm
123
tetragonal
4/mmm
6,435.029591
false
[CIF] data_CaMnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05191478 _cell_length_b 3.05191478 _cell_length_c 7.73457074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnW2 _chemical_formula_sum 'Ca1 Mn1 W2' _cell_volume 72.04121368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02447814 1 Mn Mn1 1 1.52595739 1.52595739 6.27644266 1 W W2 1 0.00000000 0.00000000 7.51352460 1 W W3 1 1.52595739 1.52595739 1.52198137 1 [/CIF]
CaMnW2
P4mm
99
tetragonal
4mm
10,665.073775
false
[CIF] data_KTl2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66997861 _cell_length_b 4.80841850 _cell_length_c 7.22591409 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.08867591 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTl2Cu _chemical_formula_sum 'K1 Tl2 Cu1' _cell_volume 123.67860156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31025327 2.40420925 2.96778958 1 K K1 1 -0.19478991 0.00000000 5.13116562 1 Tl Tl2 1 3.51425845 2.40420925 0.42782960 1 Tl Tl3 1 1.90679073 0.00000000 1.98605465 1 [/CIF]
CuKTl2
Pm
6
monoclinic
m
6,866.327463
false