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_AgMoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01620112 _cell_length_b 7.01620112 _cell_length_c 7.01620112 _cell_angle_alpha 154.75774211 _cell_angle_beta 154.75774211 _cell_angle_gamma 35.99916554 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgMoBr _chemical_formula_sum 'Ag1 Mo1 Br1' _cell_volume 62.73193711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.44334187 1 Br Br1 1 -0.00000000 0.00000000 3.89871735 1 Mo Mo2 1 0.00000000 0.00000000 9.00357994 1 [/CIF]
AgBrMo
I4mm
107
tetragonal
4mm
7,510.503011
false
[CIF] data_GaAs2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83382732 _cell_length_b 4.83382732 _cell_length_c 4.83382732 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAs2Cl _chemical_formula_sum 'Ga1 As2 Cl1' _cell_volume 79.86534998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41803208 3.41803208 3.41803208 1 As As1 1 1.70901604 1.70901604 1.70901604 1 Cl Cl2 1 0.00000000 -0.00000000 0.00000000 1 Ga Ga3 1 5.12704812 5.12704812 5.12704812 1 [/CIF]
As2ClGa
F-43m
216
cubic
-43m
5,302.291225
false
[CIF] data_La4ScRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23594225 _cell_length_b 6.23594225 _cell_length_c 6.23594225 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4ScRe _chemical_formula_sum 'La4 Sc1 Re1' _cell_volume 171.47122693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.49860160 5.49860160 3.32035250 1 La La1 1 5.49860160 3.32035250 5.49860160 1 La La2 1 3.32035250 5.49860160 5.49860160 1 La La3 1 3.32035250 3.32035250 3.32035250 1 Re Re4 1 6.61421558 6.61421558 6.61421557 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La4ReSc
F-43m
216
cubic
-43m
7,619.277633
false
[CIF] data_CrTc2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.99958975 _cell_length_b 8.99958975 _cell_length_c 8.99958975 _cell_angle_alpha 17.32966353 _cell_angle_beta 17.32966353 _cell_angle_gamma 17.32966353 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTc2Pd _chemical_formula_sum 'Cr1 Tc2 Pd1' _cell_volume 56.43487437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 -0.00000000 -0.00000000 13.29355497 1 Tc Tc2 1 -0.00000000 -0.00000000 19.79262404 1 Tc Tc3 1 -0.00000000 0.00000000 6.79448589 1 [/CIF]
CrPdTc2
R-3m
166
trigonal
-3m
10,481.663119
false
[CIF] data_Be3Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59597272 _cell_length_b 6.59597272 _cell_length_c 5.03215355 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3Rh5 _chemical_formula_sum 'Be6 Rh10' _cell_volume 189.60169610 _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 -1.32433889 2.29382225 3.77411516 1 Be Be1 1 -1.97364747 3.41845769 1.25803839 1 Be Be2 1 1.97364747 3.41845769 3.77411516 1 Be Be3 1 2.64867778 0.00000000 3.77411516 1 Be Be4 1 3.94729494 0.00000000 1.25803839 1 Be Be5 1 1.32433889 2.29382225 1.25803839 1 Rh Rh6 1 3.29798636 1.90409331 2.51607678 1 Rh Rh7 1 -0.00000000 3.80818663 0.00000000 1 Rh Rh8 1 0.00000000 3.80818663 2.51607678 1 Rh Rh9 1 3.29798636 1.90409331 0.00000000 1 Rh Rh10 1 -2.49991172 4.32997411 3.77411516 1 Rh Rh11 1 -0.79807464 1.38230583 1.25803839 1 Rh Rh12 1 0.79807464 1.38230583 3.77411516 1 Rh Rh13 1 4.99982344 0.00000000 3.77411516 1 Rh Rh14 1 1.59614928 0.00000000 1.25803839 1 Rh Rh15 1 2.49991172 4.32997411 1.25803839 1 [/CIF]
Be6Rh10
P6_3/mcm
193
hexagonal
6/mmm
9,486.085289
false
[CIF] data_Sr2YOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95765103 _cell_length_b 5.05402925 _cell_length_c 6.23187706 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.76841981 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2YOs _chemical_formula_sum 'Sr2 Y1 Os1' _cell_volume 120.53257864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.79429270 0.00000000 3.01300050 1 Sr Sr1 1 0.36775014 2.52701463 4.29892417 1 Sr Sr2 1 2.00131549 2.52701463 1.72707683 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsSr2Y
P2/m
10
monoclinic
2/m
6,259.79182
false
[CIF] data_YGePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06541013 _cell_length_b 6.06541013 _cell_length_c 5.35467837 _cell_angle_alpha 115.22859127 _cell_angle_beta 115.22859127 _cell_angle_gamma 37.13426055 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGePb2 _chemical_formula_sum 'Y1 Ge1 Pb2' _cell_volume 106.22311896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 8.15668342 -0.00000000 1.08582633 1 Pb Pb1 1 0.10893723 0.00000000 0.18703662 1 Pb Pb2 1 1.04639583 0.00000000 3.53071934 1 Y Y3 1 4.32565737 0.00000000 2.37072081 1 [/CIF]
GePb2Y
Cm
8
monoclinic
m
9,003.506897
false
[CIF] data_CaCr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05699112 _cell_length_b 3.05699112 _cell_length_c 7.44251122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCr2Au _chemical_formula_sum 'Ca1 Cr2 Au1' _cell_volume 69.55171664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52849556 1.52849556 3.41533595 1 Ca Ca1 1 0.00000000 0.00000000 5.65731795 1 Cr Cr2 1 1.52849556 1.52849556 0.58541104 1 Cr Cr3 1 0.00000000 0.00000000 1.50570189 1 [/CIF]
AuCaCr2
P4mm
99
tetragonal
4mm
8,143.041013
false
[CIF] data_ZrFeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43308878 _cell_length_b 4.43308878 _cell_length_c 4.43308878 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFeRe2 _chemical_formula_sum 'Zr1 Fe1 Re2' _cell_volume 61.60334430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 4.70200071 4.70200071 4.70200071 1 Re Re2 1 1.56733357 1.56733357 1.56733357 1 Zr Zr3 1 3.13466714 3.13466714 3.13466714 1 [/CIF]
FeRe2Zr
Fm-3m
225
cubic
m-3m
14,002.840686
false
[CIF] data_BaTl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48741510 _cell_length_b 6.48741510 _cell_length_c 6.48741510 _cell_angle_alpha 48.55238736 _cell_angle_beta 48.55238736 _cell_angle_gamma 48.55238736 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTl3 _chemical_formula_sum 'Ba1 Tl3' _cell_volume 140.70878502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Tl Tl1 1 -0.00000000 -0.00000000 8.56462259 1 Tl Tl2 1 -0.00000000 0.00000000 3.91920824 1 Tl Tl3 1 -0.00000000 0.00000000 13.21003693 1 [/CIF]
BaTl3
R-3m
166
trigonal
-3m
8,871.954724
false
[CIF] data_LiHfRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65365075 _cell_length_b 4.65365075 _cell_length_c 2.65143877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfRe _chemical_formula_sum 'Li1 Hf1 Re1' _cell_volume 49.72786440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.68678653 0.09670139 1 Li Li1 1 0.00000000 0.00000000 0.95479973 1 Re Re2 1 2.32682535 1.34339327 1.59993768 1 [/CIF]
HfLiRe
P3m1
156
trigonal
3m
12,409.932027
false
[CIF] data_NaReRh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11213791 _cell_length_b 5.11213791 _cell_length_c 5.11213791 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaReRh4 _chemical_formula_sum 'Na1 Re1 Rh4' _cell_volume 94.46973237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 1.80741369 1.80741369 1.80741369 1 Rh Rh2 1 2.71049613 2.71049613 4.51915863 1 Rh Rh3 1 2.71049613 4.51915863 2.71049613 1 Rh Rh4 1 4.51915863 2.71049613 2.71049613 1 Rh Rh5 1 4.51915863 4.51915863 4.51915863 1 [/CIF]
NaReRh4
F-43m
216
cubic
-43m
10,912.424475
false
[CIF] data_ZrPd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33531317 _cell_length_b 3.33531317 _cell_length_c 7.17656515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.13470128 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPd2Br _chemical_formula_sum 'Zr1 Pd2 Br1' _cell_volume 79.51399193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.25041277 -0.00000000 1.93331017 1 Pd Pd2 1 2.25041277 -0.00000000 5.24325498 1 Zr Zr3 1 0.00000000 0.00000000 3.58828258 1 [/CIF]
BrPd2Zr
Cmmm
65
orthorhombic
mmm
8,018.637335
false
[CIF] data_AlRe2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05619172 _cell_length_b 9.05619172 _cell_length_c 9.05619172 _cell_angle_alpha 18.90337582 _cell_angle_beta 18.90337582 _cell_angle_gamma 18.90337582 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRe2Sn _chemical_formula_sum 'Al1 Re2 Sn1' _cell_volume 68.12497548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.89634192 1 Re Re1 1 -0.00000000 0.00000000 0.02420284 1 Re Re2 1 0.00000000 -0.00000000 19.83074915 1 Sn Sn3 1 0.00000000 -0.00000000 13.26221040 1 [/CIF]
AlRe2Sn
R3m
160
trigonal
3m
12,628.767659
false
[CIF] data_TaRuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48378124 _cell_length_b 4.53427488 _cell_length_c 4.87329250 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.67898487 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRuBr2 _chemical_formula_sum 'Ta1 Ru1 Br2' _cell_volume 76.97517854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.89529696 2.26713744 1.21192126 1 Br Br1 1 2.53073458 2.26713744 3.66102906 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.71301577 0.00000000 2.43647516 1 [/CIF]
Br2RuTa
P2/m
10
monoclinic
2/m
9,531.243035
false
[CIF] data_Rb3BiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02052547 _cell_length_b 7.02052547 _cell_length_c 7.02052547 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3BiIr _chemical_formula_sum 'Rb3 Bi1 Ir1' _cell_volume 346.02609993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Bi Bi1 1 3.51026273 3.51026273 3.51026273 1 Rb Rb2 1 3.51026273 0.00000000 3.51026273 1 Rb Rb3 1 3.51026273 3.51026273 0.00000000 1 Rb Rb4 1 0.00000000 3.51026273 3.51026273 1 [/CIF]
BiIrRb3
Pm-3m
221
cubic
m-3m
3,155.749866
false
[CIF] data_HfSnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26231634 _cell_length_b 3.26231634 _cell_length_c 7.80904125 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.59692030 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSnP2 _chemical_formula_sum 'Hf1 Sn1 P2' _cell_volume 80.04901147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.90452062 1 P P1 1 1.97246341 -0.00000000 5.58611488 1 P P2 1 1.97246341 -0.00000000 2.22292637 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfP2Sn
Cmmm
65
orthorhombic
mmm
7,450.166883
false
[CIF] data_ZrTiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46834111 _cell_length_b 5.46834111 _cell_length_c 5.46834111 _cell_angle_alpha 145.27238595 _cell_angle_beta 129.19421468 _cell_angle_gamma 63.01092294 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiW2 _chemical_formula_sum 'Zr1 Ti1 W2' _cell_volume 71.39356080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 -0.00000000 -0.00000000 7.09208796 1 W W1 1 1.63196052 -0.00000000 0.10682830 1 W W2 1 -0.00000000 0.00000000 2.17826507 1 Zr Zr3 1 1.63196052 0.00000000 4.60958344 1 [/CIF]
TiW2Zr
Imm2
44
orthorhombic
mm2
11,786.95997
false
[CIF] data_BaCo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25113980 _cell_length_b 3.25113980 _cell_length_c 7.49346821 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCo2W _chemical_formula_sum 'Ba1 Co2 W1' _cell_volume 79.20528456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.77841124 1 Co Co1 1 1.62556990 1.62556990 0.63411317 1 Co Co2 1 0.00000000 0.00000000 1.96975718 1 W W3 1 1.62556990 1.62556990 2.85792065 1 [/CIF]
BaCo2W
P4mm
99
tetragonal
4mm
9,204.33655
false
[CIF] data_Mn2AgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62225257 _cell_length_b 4.62225257 _cell_length_c 4.62225257 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2AgSb _chemical_formula_sum 'Mn2 Ag1 Sb1' _cell_volume 69.83063983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26842614 3.26842614 3.26842614 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.90263921 4.90263921 4.90263921 1 Sb Sb3 1 1.63421307 1.63421307 1.63421307 1 [/CIF]
AgMn2Sb
F-43m
216
cubic
-43m
8,073.248909
false
[CIF] data_YBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73280695 _cell_length_b 5.73280695 _cell_length_c 5.73280695 _cell_angle_alpha 134.70579288 _cell_angle_beta 134.70579288 _cell_angle_gamma 65.98767621 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBe2 _chemical_formula_sum 'Y2 Be4' _cell_volume 93.71893534 _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 0.72884381 1.47859744 0.00000000 1 Be Be1 1 1.47859744 0.72884381 4.80827222 1 Be Be2 1 2.93628506 0.72884381 0.00000000 1 Be Be3 1 -0.72884381 1.47859744 4.80827222 1 Y Y4 1 0.00000000 0.00000000 7.21240833 1 Y Y5 1 0.00000000 0.00000000 2.40413611 1 [/CIF]
Be4Y2
I4/mcm
140
tetragonal
4/mmm
3,789.240608
false
[CIF] data_HfBiIrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71017013 _cell_length_b 4.71017013 _cell_length_c 4.71017013 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBiIrRu _chemical_formula_sum 'Hf1 Bi1 Ir1 Ru1' _cell_volume 73.89155131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.99588986 4.99588986 4.99588986 1 Hf Hf1 1 3.33059324 3.33059324 3.33059324 1 Ir Ir2 1 1.66529662 1.66529662 1.66529662 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiHfIrRu
F-43m
216
cubic
-43m
15,298.423671
false
[CIF] data_ZrZn4Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18374290 _cell_length_b 5.18374290 _cell_length_c 5.18374290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZn4Si _chemical_formula_sum 'Zr1 Zn4 Si1' _cell_volume 98.49526750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Zn Zn1 1 2.75026461 4.58065491 2.75026461 1 Zn Zn2 1 4.58065491 2.75026461 2.75026461 1 Zn Zn3 1 4.58065491 4.58065491 4.58065491 1 Zn Zn4 1 2.75026461 2.75026461 4.58065491 1 Zr Zr5 1 1.83272988 1.83272988 1.83272988 1 [/CIF]
SiZn4Zr
F-43m
216
cubic
-43m
6,420.432966
false
[CIF] data_CrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31958137 _cell_length_b 3.31958137 _cell_length_c 6.08306202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCd _chemical_formula_sum 'Cr2 Cd2' _cell_volume 67.03303477 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.65979069 0.00000000 2.21995612 1 Cd Cd1 1 0.00000000 1.65979069 3.86310590 1 Cr Cr2 1 1.65979069 1.65979069 0.00000000 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2Cr2
P4/nmm
129
tetragonal
4/mmm
8,145.369319
false
[CIF] data_SrAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45723449 _cell_length_b 4.45723449 _cell_length_c 4.21341110 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAs2Pt _chemical_formula_sum 'Sr1 As2 Pt1' _cell_volume 83.70758256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22861725 2.10670555 1 As As1 1 2.22861725 0.00000000 2.10670555 1 Pt Pt2 1 2.22861725 2.22861725 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2PtSr
P4/mmm
123
tetragonal
4/mmm
8,580.602877
false
[CIF] data_MgV2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24050943 _cell_length_b 5.24050943 _cell_length_c 2.78683507 _cell_angle_alpha 93.01275194 _cell_angle_beta 93.01275194 _cell_angle_gamma 118.84427500 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgV2Hg _chemical_formula_sum 'Mg1 V2 Hg1' _cell_volume 66.68057941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66589332 0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.18898309 -2.25587853 1.38596065 1 V V3 1 1.18898309 2.25587853 1.38596065 1 [/CIF]
HgMgV2
C2/m
12
monoclinic
2/m
8,137.716258
false
[CIF] data_KBaCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28560384 _cell_length_b 8.28560384 _cell_length_c 8.28560384 _cell_angle_alpha 149.45405155 _cell_angle_beta 149.45405155 _cell_angle_gamma 43.74339084 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaCd _chemical_formula_sum 'K1 Ba1 Cd1' _cell_volume 146.51465552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.58553253 1 Cd Cd1 1 0.00000000 -0.00000000 10.08949391 1 K K2 1 -0.00000000 0.00000000 4.70339235 1 [/CIF]
BaCdK
I4mm
107
tetragonal
4mm
3,273.828425
false
[CIF] data_Na4CrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13631837 _cell_length_b 6.13631837 _cell_length_c 6.13631837 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4CrBi _chemical_formula_sum 'Na4 Cr1 Bi1' _cell_volume 163.38367251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.50854850 6.50854850 6.50854850 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 5.42677324 5.42677324 3.25129142 1 Na Na3 1 5.42677324 3.25129142 5.42677324 1 Na Na4 1 3.25129142 5.42677324 5.42677324 1 Na Na5 1 3.25129142 3.25129142 3.25129142 1 [/CIF]
BiCrNa4
F-43m
216
cubic
-43m
3,587.037216
false
[CIF] data_Cs2ThPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68678123 _cell_length_b 5.68678123 _cell_length_c 5.68678123 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2ThPt _chemical_formula_sum 'Cs2 Th1 Pt1' _cell_volume 130.04227706 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.01058078 2.01058078 2.01058078 1 Cs Cs1 1 6.03174235 6.03174235 6.03174235 1 Pt Pt2 1 0.00000000 0.00000000 0.00000000 1 Th Th3 1 4.02116157 4.02116157 4.02116157 1 [/CIF]
Cs2PtTh
Fm-3m
225
cubic
m-3m
8,848.216771
false
[CIF] data_NiAsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51462965 _cell_length_b 4.51462965 _cell_length_c 4.64290088 _cell_angle_alpha 101.04578273 _cell_angle_beta 101.04578273 _cell_angle_gamma 39.23121113 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAsPd2 _chemical_formula_sum 'Ni1 As1 Pd2' _cell_volume 58.59845982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.78045121 -0.00000000 2.27292352 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 6.11838441 -0.00000000 1.12229358 1 Pd Pd3 1 1.44251801 0.00000000 3.42355346 1 [/CIF]
AsNiPd2
C2/m
12
monoclinic
2/m
9,817.699375
false
[CIF] data_BaMgAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69786091 _cell_length_b 3.69786091 _cell_length_c 7.39215950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgAu2 _chemical_formula_sum 'Ba1 Mg1 Au2' _cell_volume 101.08168492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84893046 1.84893046 1.42407831 1 Au Au1 1 1.84893046 1.84893046 5.96808119 1 Ba Ba2 1 0.00000000 0.00000000 3.69607975 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BaMg
P4/mmm
123
tetragonal
4/mmm
9,126.654511
false
[CIF] data_Al2AgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62960190 _cell_length_b 4.62960190 _cell_length_c 4.62960190 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2AgAu _chemical_formula_sum 'Al2 Ag1 Au1' _cell_volume 70.16425946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27362290 3.27362290 3.27362290 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Al Al2 1 4.91043435 4.91043435 4.91043435 1 Au Au3 1 1.63681145 1.63681145 1.63681145 1 [/CIF]
AgAl2Au
F-43m
216
cubic
-43m
8,491.471943
false
[CIF] data_Cd2FeSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87633942 _cell_length_b 4.87633942 _cell_length_c 4.87633942 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2FeSn _chemical_formula_sum 'Cd2 Fe1 Sn1' _cell_volume 81.99111332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.44809267 3.44809267 3.44809267 1 Cd Cd1 1 1.72404634 1.72404634 1.72404634 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 5.17213901 5.17213901 5.17213901 1 [/CIF]
Cd2FeSn
F-43m
216
cubic
-43m
8,088.451101
false
[CIF] data_K2HfMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98954401 _cell_length_b 5.50354274 _cell_length_c 6.26542660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HfMn _chemical_formula_sum 'K2 Hf1 Mn1' _cell_volume 103.08558533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.75177137 0.00000000 1 K K1 1 1.49477200 1.34927220 3.13271330 1 K K2 1 1.49477200 4.15427054 3.13271330 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfK2Mn
Pmmm
47
orthorhombic
mmm
5,019.759993
false
[CIF] data_LiPb2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06188237 _cell_length_b 5.05353666 _cell_length_c 5.12323125 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPb2Se _chemical_formula_sum 'Li1 Pb2 Se1' _cell_volume 105.16390936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 2.52676833 2.56161562 1 Pb Pb2 1 2.03094119 2.52676833 0.00000000 1 Se Se3 1 2.03094119 0.00000000 2.56161562 1 [/CIF]
LiPb2Se
Pmmm
47
orthorhombic
mmm
7,899.757252
false
[CIF] data_GaCoAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32641851 _cell_length_b 4.32641851 _cell_length_c 4.32641851 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCoAgRu _chemical_formula_sum 'Ga1 Co1 Ag1 Ru1' _cell_volume 57.26253729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52961994 1.52961994 1.52961993 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 4.58885980 4.58885981 4.58885981 1 Ru Ru3 1 3.05923987 3.05923987 3.05923987 1 [/CIF]
AgCoGaRu
F-43m
216
cubic
-43m
9,789.798149
false
[CIF] data_KMn2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10963562 _cell_length_b 4.11993485 _cell_length_c 6.92471023 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMn2Cl _chemical_formula_sum 'K1 Mn2 Cl1' _cell_volume 88.71589853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.55481781 2.05996742 0.00000000 1 Mn Mn2 1 1.55481781 0.00000000 3.46235512 1 Mn Mn3 1 0.00000000 2.05996742 3.46235512 1 [/CIF]
ClKMn2
Pmmm
47
orthorhombic
mmm
3,452.018084
false
[CIF] data_Lu2CrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83099454 _cell_length_b 4.83099454 _cell_length_c 4.83099454 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2CrPt _chemical_formula_sum 'Lu2 Cr1 Pt1' _cell_volume 79.72502102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Lu Lu1 1 1.70801450 1.70801450 1.70801450 1 Lu Lu2 1 5.12404350 5.12404350 5.12404350 1 Pt Pt3 1 3.41602900 3.41602900 3.41602900 1 [/CIF]
CrLu2Pt
Fm-3m
225
cubic
m-3m
12,434.798504
false
[CIF] data_SrCrIn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94549217 _cell_length_b 5.94549217 _cell_length_c 5.94549217 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCrIn4 _chemical_formula_sum 'Sr1 Cr1 In4' _cell_volume 148.61013763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.25894760 5.25894760 3.14924806 1 In In2 1 5.25894760 3.14924806 5.25894760 1 In In3 1 3.14924806 5.25894760 5.25894760 1 In In4 1 3.14924806 3.14924806 3.14924806 1 Sr Sr5 1 6.30614675 6.30614675 6.30614675 1 [/CIF]
CrIn4Sr
F-43m
216
cubic
-43m
6,691.852268
false
[CIF] data_Ca2GaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93086528 _cell_length_b 5.27557412 _cell_length_c 5.38514591 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2GaTe _chemical_formula_sum 'Ca2 Ga1 Te1' _cell_volume 111.67484641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 0.00000000 2.63778706 2.69257296 1 Ga Ga2 1 1.96543264 0.00000000 2.69257296 1 Te Te3 1 1.96543264 2.63778706 0.00000000 1 [/CIF]
Ca2GaTe
Pmmm
47
orthorhombic
mmm
4,125.948989
false
[CIF] data_BaZrAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41291408 _cell_length_b 5.41291408 _cell_length_c 5.41291408 _cell_angle_alpha 127.19354690 _cell_angle_beta 114.04244171 _cell_angle_gamma 89.31686700 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrAu2 _chemical_formula_sum 'Ba1 Zr1 Au2' _cell_volume 109.22602010 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94640273 2.28459257 1 Au Au1 1 2.40704505 -0.00000000 1.56566507 1 Ba Ba2 1 0.00000000 -0.00000000 3.85025764 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BaZr
Immm
71
orthorhombic
mmm
9,463.488906
false
[CIF] data_InGa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21284360 _cell_length_b 3.36718853 _cell_length_c 6.38068663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGa2Fe _chemical_formula_sum 'In1 Ga2 Fe1' _cell_volume 69.02786389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17740073 1 Ga Ga1 1 1.60642180 1.68359427 6.11134553 1 Ga Ga2 1 0.00000000 0.00000000 1.35386047 1 In In3 1 1.60642180 1.68359427 3.30910984 1 [/CIF]
FeGa2In
Pmm2
25
orthorhombic
mm2
7,460.003546
false
[CIF] data_KSr2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78733284 _cell_length_b 4.60778202 _cell_length_c 9.50712193 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.53419365 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSr2Sb _chemical_formula_sum 'K1 Sr2 Sb1' _cell_volume 203.00610184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.74620770 0.00000000 4.20767824 1 Sb Sb1 1 2.66999770 2.30389101 1.36909171 1 Sr Sr2 1 0.27615914 0.00000000 0.85755872 1 Sr Sr3 1 0.30347238 2.30389101 7.36998456 1 [/CIF]
KSbSr2
Pm
6
monoclinic
m
2,749.199912
false
[CIF] data_TiFeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29616310 _cell_length_b 4.29616310 _cell_length_c 4.29616310 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiFeSb _chemical_formula_sum 'Ti1 Fe1 Sb1' _cell_volume 56.06957749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03784606 3.03784606 3.03784606 1 Sb Sb1 1 1.51892303 1.51892303 1.51892303 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeSbTi
F-43m
216
cubic
-43m
6,677.508217
false
[CIF] data_NbCu4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88038800 _cell_length_b 4.88038800 _cell_length_c 4.88038800 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCu4Ag _chemical_formula_sum 'Nb1 Cu4 Ag1' _cell_volume 82.19550236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17643318 5.17643318 5.17643318 1 Cu Cu1 1 4.31434150 2.58756940 4.31434150 1 Cu Cu2 1 2.58756940 4.31434150 4.31434150 1 Cu Cu3 1 2.58756940 2.58756940 2.58756940 1 Cu Cu4 1 4.31434150 4.31434150 2.58756940 1 Nb Nb5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCu4Nb
F-43m
216
cubic
-43m
9,191.214532
false
[CIF] data_MgZr2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74013293 _cell_length_b 5.74013293 _cell_length_c 5.74013293 _cell_angle_alpha 147.17539682 _cell_angle_beta 131.16089405 _cell_angle_gamma 60.09855017 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr2Co _chemical_formula_sum 'Mg1 Zr2 Co1' _cell_volume 76.49241836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37305814 0.06070484 1 Mg Mg1 1 -0.00000000 0.00000000 2.89134375 1 Zr Zr2 1 -0.00000000 2.37305814 4.92746938 1 Zr Zr3 1 0.00000000 0.00000000 7.02637435 1 [/CIF]
CoMgZr2
Imm2
44
orthorhombic
mm2
5,767.680435
false
[CIF] data_ZnSi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61380971 _cell_length_b 3.61380971 _cell_length_c 4.74829560 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSi2P _chemical_formula_sum 'Zn1 Si2 P1' _cell_volume 62.01093913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 0.00000000 1.80690486 2.37414780 1 Si Si2 1 1.80690486 0.00000000 2.37414780 1 Zn Zn3 1 1.80690486 1.80690486 0.00000000 1 [/CIF]
PSi2Zn
P4/mmm
123
tetragonal
4/mmm
4,084.333014
false
[CIF] data_GdTm(FeNi4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93194100 _cell_length_b 4.91893000 _cell_length_c 8.51682900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdTm(FeNi4)2 _chemical_formula_sum 'Gd1 Tm1 Fe2 Ni8' _cell_volume 164.72350034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 0.00000000 0.00000000 8.51621579 1 Tm Tm1 1 0.00000000 2.45946500 4.25987939 1 Fe Fe2 1 0.00000000 0.00000000 2.85468778 1 Fe Fe3 1 0.00000000 2.45946500 7.08272275 1 Ni Ni4 1 0.00000000 2.45946500 1.43391036 1 Ni Ni5 1 0.00000000 0.00000000 5.66062523 1 Ni Ni6 1 1.96597050 0.00000000 4.26076514 1 Ni Ni7 1 1.96597050 2.45946500 0.00213772 1 Ni Ni8 1 1.96597050 1.24471556 2.15032047 1 Ni Ni9 1 1.96597050 3.68316689 6.36504364 1 Ni Ni10 1 1.96597050 3.67421444 2.15032047 1 Ni Ni11 1 1.96597050 1.23576311 6.36504364 1 [/CIF]
Fe2GdNi8Tm
Pmm2
25
orthorhombic
mm2
9,147.502925
false
[CIF] data_NbFeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24705041 _cell_length_b 3.24705041 _cell_length_c 5.70031144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeSe _chemical_formula_sum 'Nb1 Fe1 Se1' _cell_volume 52.04838737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03129807 1 Nb Nb1 1 1.62352521 0.93734271 1.89973635 1 Se Se2 1 0.00000000 1.87468543 3.76927701 1 [/CIF]
FeNbSe
P3m1
156
trigonal
3m
7,264.848361
false
[CIF] data_Mn2CoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93596423 _cell_length_b 3.93596423 _cell_length_c 3.93596423 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CoSi _chemical_formula_sum 'Mn2 Co1 Si1' _cell_volume 43.11599690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.17472050 4.17472050 4.17472050 1 Mn Mn1 1 2.78314700 2.78314700 2.78314700 1 Mn Mn2 1 1.39157350 1.39157350 1.39157350 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoMn2Si
F-43m
216
cubic
-43m
7,583.06675
false
[CIF] data_LiCrTc4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06270144 _cell_length_b 5.06270144 _cell_length_c 5.06270144 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrTc4 _chemical_formula_sum 'Li1 Cr1 Tc4' _cell_volume 91.75546756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.36980578 5.36980578 5.36980578 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.47596232 4.47596232 2.68377872 1 Tc Tc3 1 4.47596232 2.68377872 4.47596232 1 Tc Tc4 1 2.68377872 4.47596232 4.47596232 1 Tc Tc5 1 2.68377872 2.68377872 2.68377872 1 [/CIF]
CrLiTc4
F-43m
216
cubic
-43m
8,226.406701
false
[CIF] data_LiAl2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22196073 _cell_length_b 3.22196073 _cell_length_c 5.70136018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAl2Pd _chemical_formula_sum 'Li1 Al2 Pd1' _cell_volume 59.18599646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.55374113 1 Al Al1 1 1.61098037 1.61098037 1.50563903 1 Li Li2 1 0.00000000 0.00000000 2.88334695 1 Pd Pd3 1 1.61098037 1.61098037 4.31067334 1 [/CIF]
Al2LiPd
P4mm
99
tetragonal
4mm
4,694.491663
false
[CIF] data_KMnHgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71101507 _cell_length_b 4.71101507 _cell_length_c 4.71101507 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnHgOs _chemical_formula_sum 'K1 Mn1 Hg1 Os1' _cell_volume 73.93132365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66559535 1.66559535 1.66559535 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.99678605 4.99678605 4.99678605 1 Os Os3 1 3.33119070 3.33119070 3.33119070 1 [/CIF]
HgKMnOs
F-43m
216
cubic
-43m
10,890.145919
false
[CIF] data_DyTl2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90356586 _cell_length_b 4.90356586 _cell_length_c 4.90356586 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyTl2Os _chemical_formula_sum 'Dy1 Tl2 Os1' _cell_volume 83.37215753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.46734467 3.46734467 3.46734467 1 Tl Tl2 1 5.20101701 5.20101701 5.20101701 1 Tl Tl3 1 1.73367234 1.73367234 1.73367234 1 [/CIF]
DyOsTl2
Fm-3m
225
cubic
m-3m
15,166.872142
false
[CIF] data_Sr2TaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52693352 _cell_length_b 3.52693352 _cell_length_c 9.63924444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TaAu _chemical_formula_sum 'Sr2 Ta1 Au1' _cell_volume 119.90506832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76346676 1.76346676 6.68967593 1 Sr Sr1 1 0.00000000 0.00000000 8.97387901 1 Sr Sr2 1 1.76346676 1.76346676 3.02404063 1 Ta Ta3 1 0.00000000 0.00000000 5.41051542 1 [/CIF]
AuSr2Ta
P4mm
99
tetragonal
4mm
7,660.514983
false
[CIF] data_CoBiPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57835424 _cell_length_b 4.57835424 _cell_length_c 4.57835424 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoBiPdPt _chemical_formula_sum 'Co1 Bi1 Pd1 Pt1' _cell_volume 67.85989431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85607799 4.85607800 4.85607800 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.23738533 3.23738533 3.23738533 1 Pt Pt3 1 1.61869266 1.61869266 1.61869266 1 [/CIF]
BiCoPdPt
F-43m
216
cubic
-43m
13,933.711088
false
[CIF] data_HPbBrO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50472300 _cell_length_b 4.14855000 _cell_length_c 10.17900200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HPbBrO _chemical_formula_sum 'H4 Pb4 Br4 O4' _cell_volume 316.91018391 _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 H H0 1 2.23691027 1.03713750 6.25187178 1 H H1 1 5.98927177 1.03713750 9.01663122 1 H H2 1 5.26781273 3.11141250 3.92713022 1 H H3 1 1.51545123 3.11141250 1.16237078 1 Pb Pb4 1 1.46789380 1.03713750 9.32208272 1 Pb Pb5 1 5.22025530 1.03713750 5.94642028 1 Pb Pb6 1 6.03682920 3.11141250 0.85691928 1 Pb Pb7 1 2.28446770 3.11141250 4.23258172 1 Br Br8 1 0.40804680 3.11141250 6.92016397 1 Br Br9 1 4.16040830 3.11141250 8.34833903 1 Br Br10 1 7.09667620 1.03713750 3.25883803 1 Br Br11 1 3.34431470 1.03713750 1.83066297 1 O O12 1 2.83417365 1.03713750 5.47983519 1 O O13 1 6.58653515 1.03713750 9.78866781 1 O O14 1 4.67054935 3.11141250 4.69916681 1 O O15 1 0.91818785 3.11141250 0.39033419 1 [/CIF]
Br4H4O4Pb4
Pnma
62
orthorhombic
mmm
6,373.903854
false
[CIF] data_CdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26125124 _cell_length_b 4.26125124 _cell_length_c 4.23996386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCl2 _chemical_formula_sum 'Cd1 Cl2' _cell_volume 66.67562061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 -0.00000000 2.46023455 3.12065915 1 Cl Cl2 1 2.13062562 1.23011727 1.11930471 1 [/CIF]
CdCl2
P-3m1
164
trigonal
-3m
4,565.462414
false
[CIF] data_CsLiZr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33396575 _cell_length_b 5.33396575 _cell_length_c 5.33396575 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLiZr3 _chemical_formula_sum 'Cs1 Li1 Zr3' _cell_volume 151.75767633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.66698287 2.66698287 2.66698287 1 Zr Zr1 1 2.66698287 0.00000000 2.66698287 1 Zr Zr2 1 2.66698287 2.66698287 0.00000000 1 Zr Zr3 1 0.00000000 2.66698287 2.66698287 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CsLiZr3
Pm-3m
221
cubic
m-3m
4,524.736809
false
[CIF] data_KScMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90441310 _cell_length_b 4.90441310 _cell_length_c 4.90441310 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScMoPt _chemical_formula_sum 'K1 Sc1 Mo1 Pt1' _cell_volume 83.41538013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.46794376 3.46794376 3.46794376 1 Pt Pt2 1 1.73397188 1.73397188 1.73397188 1 Sc Sc3 1 5.20191564 5.20191564 5.20191564 1 [/CIF]
KMoPtSc
F-43m
216
cubic
-43m
7,467.031066
false
[CIF] data_ZnTeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01103391 _cell_length_b 5.01103391 _cell_length_c 4.69929808 _cell_angle_alpha 106.41081370 _cell_angle_beta 106.41081370 _cell_angle_gamma 37.47118197 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTeMo2 _chemical_formula_sum 'Zn1 Te1 Mo2' _cell_volume 68.51866201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.38672289 0.00000000 0.18145643 1 Mo Mo1 1 1.41838015 0.00000000 3.25709325 1 Te Te2 1 4.06595451 0.00000000 2.40462063 1 Zn Zn3 1 6.75354418 -0.00000000 0.88478569 1 [/CIF]
Mo2TeZn
Cm
8
monoclinic
m
9,327.991353
false
[CIF] data_BeMo2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86724500 _cell_length_b 4.86724500 _cell_length_c 4.86724500 _cell_angle_alpha 140.08397864 _cell_angle_beta 129.73811289 _cell_angle_gamma 66.02956250 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeMo2As _chemical_formula_sum 'Be1 Mo2 As1' _cell_volume 56.06281505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06706263 0.08056009 1 Be Be1 1 -0.00000000 0.00000000 6.07634959 1 Mo Mo2 1 -0.00000000 2.06706263 4.02597724 1 Mo Mo3 1 -0.00000000 -0.00000000 2.06110649 1 [/CIF]
AsBeMo2
Imm2
44
orthorhombic
mm2
8,170.58475
false
[CIF] data_BaSc2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04980793 _cell_length_b 4.04980793 _cell_length_c 7.95189483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSc2Bi _chemical_formula_sum 'Ba1 Sc2 Bi1' _cell_volume 130.41858395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.07058944 1 Bi Bi1 1 2.02490397 2.02490397 6.47917870 1 Sc Sc2 1 0.00000000 0.00000000 7.85903650 1 Sc Sc3 1 2.02490397 2.02490397 1.47093244 1 [/CIF]
BaBiSc2
P4mm
99
tetragonal
4mm
5,554.109247
false
[CIF] data_Cu3B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44626431 _cell_length_b 5.10938435 _cell_length_c 8.78194808 _cell_angle_alpha 57.82951133 _cell_angle_beta 35.50813074 _cell_angle_gamma 86.66235793 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3B2 _chemical_formula_sum 'Cu6 B4' _cell_volume 106.15003408 _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 B B0 1 2.73877834 7.38657309 0.98362089 1 B B1 1 7.03686162 7.20545595 0.98362089 1 B B2 1 4.59295163 3.73856583 1.72776878 1 B B3 1 5.18268833 10.85346321 1.72776878 1 Cu Cu4 1 3.83038162 5.26347992 0.26164603 1 Cu Cu5 1 1.05743836 2.03253460 0.26164603 1 Cu Cu6 1 3.50134835 1.61547266 1.00579392 1 Cu Cu7 1 1.38647163 5.68054186 1.00579392 1 Cu Cu8 1 7.33172997 10.94402178 1.97435354 1 Cu Cu9 1 4.88781998 7.29601452 1.23020565 1 [/CIF]
B4Cu6
Fdd2
43
orthorhombic
mm2
6,640.902668
false
[CIF] data_Zr2CdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81866520 _cell_length_b 4.81866520 _cell_length_c 4.81866520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2CdTc _chemical_formula_sum 'Zr2 Cd1 Tc1' _cell_volume 79.11617099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40731084 3.40731084 3.40731084 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.11096626 5.11096626 5.11096626 1 Zr Zr3 1 1.70365542 1.70365542 1.70365542 1 [/CIF]
CdTcZr2
Fm-3m
225
cubic
m-3m
8,264.587245
false
[CIF] data_ZnCrAgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84292339 _cell_length_b 4.84292339 _cell_length_c 4.84292339 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCrAgBi _chemical_formula_sum 'Zn1 Cr1 Ag1 Bi1' _cell_volume 80.31705935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.13669596 5.13669596 5.13669596 1 Bi Bi1 1 1.71223199 1.71223199 1.71223199 1 Cr Cr2 1 0.00000000 -0.00000000 0.00000000 1 Zn Zn3 1 3.42446397 3.42446397 3.42446397 1 [/CIF]
AgBiCrZn
F-43m
216
cubic
-43m
8,977.508438
false
[CIF] data_AlTcPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49990409 _cell_length_b 4.49990409 _cell_length_c 4.49990409 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTcPdAu _chemical_formula_sum 'Al1 Tc1 Pd1 Au1' _cell_volume 64.43098574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77286905 4.77286905 4.77286905 1 Pd Pd2 1 1.59095635 1.59095635 1.59095635 1 Tc Tc3 1 3.18191270 3.18191270 3.18191270 1 [/CIF]
AlAuPdTc
F-43m
216
cubic
-43m
11,063.415372
false
[CIF] data_Hf2BePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83203491 _cell_length_b 4.83203491 _cell_length_c 4.83203491 _cell_angle_alpha 127.68466247 _cell_angle_beta 127.68466247 _cell_angle_gamma 77.13642202 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BePd _chemical_formula_sum 'Hf2 Be1 Pd1' _cell_volume 68.57255468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.13016790 -0.00000000 1.88900310 1 Hf Hf2 1 0.00000000 2.13016790 1.88900310 1 Pd Pd3 1 0.00000000 -0.00000000 3.77800620 1 [/CIF]
BeHf2Pd
I4/mmm
139
tetragonal
4/mmm
11,439.837519
false
[CIF] data_Y2PdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12117743 _cell_length_b 5.12117743 _cell_length_c 5.12117743 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2PdBr _chemical_formula_sum 'Y2 Pd1 Br1' _cell_volume 94.97175668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.62121929 3.62121929 3.62121929 1 Y Y2 1 5.43182894 5.43182894 5.43182894 1 Y Y3 1 1.81060965 1.81060965 1.81060964 1 [/CIF]
BrPdY2
Fm-3m
225
cubic
m-3m
6,366.751301
false
[CIF] data_AgBPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22594485 _cell_length_b 6.22594485 _cell_length_c 6.22594485 _cell_angle_alpha 150.43029466 _cell_angle_beta 150.43029466 _cell_angle_gamma 42.31014213 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBPb _chemical_formula_sum 'Ag1 B1 Pb1' _cell_volume 58.62762773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.72494173 1 B B1 1 0.00000000 0.00000000 7.13323194 1 Pb Pb2 1 0.00000000 -0.00000000 3.75454689 1 [/CIF]
AgBPb
I4mm
107
tetragonal
4mm
9,230.03667
false
[CIF] data_AlPRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44250160 _cell_length_b 4.44250160 _cell_length_c 4.44250160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPRh3 _chemical_formula_sum 'Al1 P1 Rh3' _cell_volume 87.67641400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 2.22125080 2.22125080 2.22125080 1 Rh Rh1 1 0.00000000 2.22125080 0.00000000 1 Rh Rh2 1 0.00000000 0.00000000 2.22125080 1 Rh Rh3 1 2.22125080 0.00000000 0.00000000 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlPRh3
Pm-3m
221
cubic
m-3m
6,944.545537
false
[CIF] data_TaNiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97299018 _cell_length_b 4.97299018 _cell_length_c 4.97299018 _cell_angle_alpha 145.70981896 _cell_angle_beta 143.12639347 _cell_angle_gamma 51.23291376 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNiB2 _chemical_formula_sum 'Ta1 Ni1 B2' _cell_volume 41.35589131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.50295600 1 B B1 1 1.46599982 -0.00000000 1.45741268 1 Ni Ni2 1 -0.00000000 0.00000000 4.57079174 1 Ta Ta3 1 -0.00000000 1.57275027 2.43721344 1 [/CIF]
B2NiTa
Imm2
44
orthorhombic
mm2
10,490.352629
false
[CIF] data_NbFeSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49930312 _cell_length_b 4.49930312 _cell_length_c 4.49930312 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeSnIr _chemical_formula_sum 'Nb1 Fe1 Sn1 Ir1' _cell_volume 64.40517458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.18148775 3.18148775 3.18148775 1 Nb Nb2 1 1.59074388 1.59074388 1.59074388 1 Sn Sn3 1 4.77223162 4.77223162 4.77223162 1 [/CIF]
FeIrNbSn
F-43m
216
cubic
-43m
11,851.748141
false
[CIF] data_EuErCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27212028 _cell_length_b 5.27212028 _cell_length_c 5.27212028 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuErCd2 _chemical_formula_sum 'Eu1 Er1 Cd2' _cell_volume 103.61936614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.59192800 5.59192800 5.59192800 1 Cd Cd1 1 1.86397600 1.86397600 1.86397600 1 Er Er2 1 3.72795200 3.72795200 3.72795200 1 Eu Eu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2ErEu
Fm-3m
225
cubic
m-3m
8,718.524444
false
[CIF] data_CrGa2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04590125 _cell_length_b 5.04590125 _cell_length_c 4.53235178 _cell_angle_alpha 108.71956548 _cell_angle_beta 108.71956548 _cell_angle_gamma 31.80153831 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGa2Pd _chemical_formula_sum 'Cr1 Ga2 Pd1' _cell_volume 57.32674731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.16006368 0.00000000 3.57003507 1 Ga Ga1 1 8.26109146 -0.00000000 3.90494633 1 Ga Ga2 1 6.81397594 0.00000000 1.40359371 1 Pd Pd3 1 4.24786609 0.00000000 1.80279159 1 [/CIF]
CrGa2Pd
Cm
8
monoclinic
m
8,627.938557
false
[CIF] data_NbZnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90976136 _cell_length_b 4.90976136 _cell_length_c 3.52950085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.99679638 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnSb2 _chemical_formula_sum 'Nb1 Zn1 Sb2' _cell_volume 82.90173056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05650573 0.00000000 0.00000000 1 Sb Sb1 1 1.52825287 -1.92116692 1.76475042 1 Sb Sb2 1 1.52825287 1.92116692 1.76475042 1 Zn Zn3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
NbSb2Zn
Cmmm
65
orthorhombic
mmm
8,048.266142
false
[CIF] data_SrCd2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33305572 _cell_length_b 3.59940876 _cell_length_c 7.51042907 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCd2Co _chemical_formula_sum 'Sr1 Cd2 Co1' _cell_volume 90.10284254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66652786 1.79970438 6.11052460 1 Cd Cd1 1 1.66652786 1.79970438 1.39990447 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 3.75521454 1 [/CIF]
Cd2CoSr
Pmmm
47
orthorhombic
mmm
6,844.212705
false
[CIF] data_In2HgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70666793 _cell_length_b 3.70666793 _cell_length_c 7.85006661 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2HgP _chemical_formula_sum 'In2 Hg1 P1' _cell_volume 107.85510426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85333396 1.85333396 6.08486272 1 In In1 1 0.00000000 0.00000000 7.77233172 1 In In2 1 1.85333396 1.85333396 3.23393621 1 P P3 1 0.00000000 0.00000000 2.53403581 1 [/CIF]
HgIn2P
P4mm
99
tetragonal
4mm
7,100.639581
false
[CIF] data_NaCrCoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30720252 _cell_length_b 4.30720252 _cell_length_c 4.30720252 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrCoW _chemical_formula_sum 'Na1 Cr1 Co1 W1' _cell_volume 56.50291830 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.52282606 1.52282606 1.52282605 1 Cr Cr1 1 3.04565211 3.04565211 3.04565211 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.56847817 4.56847817 4.56847817 1 [/CIF]
CoCrNaW
F-43m
216
cubic
-43m
9,338.479425
false
[CIF] data_NbBOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77796448 _cell_length_b 2.77796448 _cell_length_c 6.80492260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbBOs2 _chemical_formula_sum 'Nb1 B1 Os2' _cell_volume 52.51417718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 0.00000000 3.40246130 1 Os Os2 1 1.38898224 1.38898224 5.50024562 1 Os Os3 1 1.38898224 1.38898224 1.30467698 1 [/CIF]
BNbOs2
P4/mmm
123
tetragonal
4/mmm
15,310.07529
false
[CIF] data_LaZnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47721243 _cell_length_b 5.47721243 _cell_length_c 5.47721243 _cell_angle_alpha 143.75395531 _cell_angle_beta 127.16388854 _cell_angle_gamma 65.75857493 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZnMo2 _chemical_formula_sum 'La1 Zn1 Mo2' _cell_volume 76.39135954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59985156 1 Mo Mo1 1 1.70373259 -0.00000000 2.25449443 1 Mo Mo2 1 0.00000000 2.43690725 2.34535713 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaMo2Zn
Immm
71
orthorhombic
mmm
8,612.422469
false
[CIF] data_HgRuCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87163199 _cell_length_b 5.87163199 _cell_length_c 5.87163199 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgRuCl4 _chemical_formula_sum 'Hg1 Ru1 Cl4' _cell_volume 143.14015628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11406367 5.18967793 5.18967793 1 Cl Cl1 1 5.18967793 5.18967793 3.11406367 1 Cl Cl2 1 5.18967793 3.11406367 5.18967793 1 Cl Cl3 1 3.11406367 3.11406367 3.11406367 1 Hg Hg4 1 6.22780620 6.22780620 6.22780620 1 Ru Ru5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl4HgRu
F-43m
216
cubic
-43m
5,144.626079
false
[CIF] data_La2CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78334686 _cell_length_b 7.78334686 _cell_length_c 7.78334686 _cell_angle_alpha 30.75736434 _cell_angle_beta 30.75736434 _cell_angle_gamma 30.75736434 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CuPt _chemical_formula_sum 'La2 Cu1 Pt1' _cell_volume 109.35705435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 5.46475007 1 La La2 1 0.00000000 0.00000000 16.76354578 1 Pt Pt3 1 -0.00000000 -0.00000000 11.11414792 1 [/CIF]
CuLa2Pt
R-3m
166
trigonal
-3m
8,145.621169
false
[CIF] data_MgSiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23115009 _cell_length_b 5.23115009 _cell_length_c 4.75271757 _cell_angle_alpha 103.86068726 _cell_angle_beta 103.86068726 _cell_angle_gamma 35.63878143 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSiGe2 _chemical_formula_sum 'Mg1 Si1 Ge2' _cell_volume 73.34273928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09543611 0.00000000 0.06149147 1 Ge Ge1 1 1.59852219 0.00000000 3.50446817 1 Mg Mg2 1 4.30950555 0.00000000 2.29111896 1 Si Si3 1 7.14319014 0.00000000 1.04260194 1 [/CIF]
Ge2MgSi
Cm
8
monoclinic
m
4,475.420346
false
[CIF] data_Sb2OsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81483208 _cell_length_b 4.04306265 _cell_length_c 5.22802925 _cell_angle_alpha 90.00000000 _cell_angle_beta 117.19071807 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2OsCl _chemical_formula_sum 'Sb2 Os1 Cl1' _cell_volume 90.52549248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68679473 0.00000000 1.97888537 1 Os Os1 1 3.07031139 2.02153133 1.13468213 1 Sb Sb2 1 4.43723357 0.00000000 0.28701047 1 Sb Sb3 1 -0.74071150 2.02153133 3.57484482 1 [/CIF]
ClOsSb2
Pm
6
monoclinic
m
8,606.745905
false
[CIF] data_HfScSbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76333909 _cell_length_b 4.76333909 _cell_length_c 4.76333909 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScSbMo _chemical_formula_sum 'Hf1 Sc1 Sb1 Mo1' _cell_volume 76.42219341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 3.36818937 3.36818937 3.36818937 1 Hf Hf1 1 1.68409468 1.68409468 1.68409469 1 Sc Sc2 1 -0.00000000 -0.00000000 -0.00000000 1 Sb Sb3 1 5.05228405 5.05228405 5.05228406 1 [/CIF]
Hf8Mo8Sb8Sc8
F-43m
216
cubic
-43m
9,585.870269
false
[CIF] data_InMo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79923902 _cell_length_b 4.42594018 _cell_length_c 5.68916577 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.11828230 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InMo2W _chemical_formula_sum 'In1 Mo2 W1' _cell_volume 68.35553825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.18214593 2.21297009 1.43994039 1 Mo Mo2 1 0.22936633 2.21297009 4.07737975 1 W W3 1 -0.69386338 0.00000000 2.75866007 1 [/CIF]
InMo2W
P2/m
10
monoclinic
2/m
11,917.45329
false
[CIF] data_YMn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58698523 _cell_length_b 4.58698523 _cell_length_c 4.58698523 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMn2W _chemical_formula_sum 'Y1 Mn2 W1' _cell_volume 68.24440109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86523254 4.86523254 4.86523254 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.62174418 1.62174418 1.62174418 1 Y Y3 1 3.24348836 3.24348836 3.24348836 1 [/CIF]
Mn2WY
F-43m
216
cubic
-43m
9,310.048428
false
[CIF] data_LaCuBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14424804 _cell_length_b 5.14424804 _cell_length_c 5.14424804 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuBiMo _chemical_formula_sum 'La1 Cu1 Bi1 Mo1' _cell_volume 96.26107411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81876634 1.81876634 1.81876634 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 3.63753267 3.63753267 3.63753267 1 Mo Mo3 1 5.45629901 5.45629901 5.45629901 1 [/CIF]
BiCuLaMo
F-43m
216
cubic
-43m
8,752.697079
false
[CIF] data_Cu2GeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65338679 _cell_length_b 2.65338679 _cell_length_c 7.96284436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2GeOs _chemical_formula_sum 'Cu2 Ge1 Os1' _cell_volume 56.06209881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32669339 1.32669339 5.90271096 1 Cu Cu1 1 1.32669339 1.32669339 2.06013340 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 3.98142218 1 [/CIF]
Cu2GeOs
P4/mmm
123
tetragonal
4/mmm
11,550.533235
false
[CIF] data_FeSi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43311889 _cell_length_b 7.43311889 _cell_length_c 7.43311889 _cell_angle_alpha 24.97994480 _cell_angle_beta 24.97994480 _cell_angle_gamma 24.97994480 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSi2Br _chemical_formula_sum 'Fe1 Si2 Br1' _cell_volume 64.43306223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.79641901 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 -0.00000000 0.00000000 15.78754112 1 Si Si3 1 0.00000000 0.00000000 5.80529691 1 [/CIF]
BrFeSi2
R-3m
166
trigonal
-3m
4,946.073438
false
[CIF] data_SnHg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54996094 _cell_length_b 6.54996094 _cell_length_c 6.54996094 _cell_angle_alpha 140.14738027 _cell_angle_beta 140.14738027 _cell_angle_gamma 57.62959098 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnHg2Br _chemical_formula_sum 'Sn1 Hg2 Br1' _cell_volume 114.39275378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.23230063 -0.00000000 2.86947975 1 Hg Hg2 1 -0.00000000 2.23230063 2.86947975 1 Sn Sn3 1 0.00000000 -0.00000000 5.73895950 1 [/CIF]
BrHg2Sn
I4/mmm
139
tetragonal
4/mmm
8,706.682338
false
[CIF] data_KHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76489531 _cell_length_b 5.76489531 _cell_length_c 5.76489531 _cell_angle_alpha 44.03678074 _cell_angle_beta 44.03678074 _cell_angle_gamma 44.03678074 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHg _chemical_formula_sum 'K1 Hg1' _cell_volume 84.08968790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.79506919 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
HgK
R-3m
166
trigonal
-3m
4,733.182016
false
[CIF] data_Mg2BiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.11585979 _cell_length_b 10.11585979 _cell_length_c 10.11585979 _cell_angle_alpha 18.29197739 _cell_angle_beta 18.29197739 _cell_angle_gamma 18.29197739 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2BiW _chemical_formula_sum 'Mg2 Bi1 W1' _cell_volume 89.05987794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.18432676 1 Mg Mg1 1 -0.00000000 -0.00000000 0.10273677 1 Mg Mg2 1 -0.00000000 0.00000000 22.59601133 1 W W3 1 -0.00000000 0.00000000 14.86498558 1 [/CIF]
BiMg2W
R3m
160
trigonal
3m
8,230.557259
false
[CIF] data_ZrCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10796612 _cell_length_b 5.10796612 _cell_length_c 5.10796612 _cell_angle_alpha 143.38285955 _cell_angle_beta 125.07590048 _cell_angle_gamma 67.83345241 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCd2 _chemical_formula_sum 'Zr1 Cd2' _cell_volume 64.08722551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.86679244 1 Cd Cd1 1 0.00000000 0.00000000 5.61089309 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd4Zr2
Immm
71
orthorhombic
mmm
8,188.944453
false
[CIF] data_ZrV2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19822224 _cell_length_b 5.19822224 _cell_length_c 5.19822224 _cell_angle_alpha 142.28117136 _cell_angle_beta 127.91141467 _cell_angle_gamma 66.07973522 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrV2Au _chemical_formula_sum 'Zr1 V2 Au1' _cell_volume 66.84730550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68031065 -0.00000000 2.12125392 1 V V1 1 0.00000000 -0.00000000 8.47860676 1 V V2 1 0.00000000 2.28236177 2.35284260 1 Zr Zr3 1 0.00000000 0.00000000 4.47779659 1 [/CIF]
AuV2Zr
Imm2
44
orthorhombic
mm2
9,690.036956
false
[CIF] data_Zr2VPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09522272 _cell_length_b 5.09522272 _cell_length_c 5.09522272 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2VPb _chemical_formula_sum 'Zr2 V1 Pb1' _cell_volume 93.53507969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.60286654 3.60286654 3.60286654 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.80143327 1.80143327 1.80143327 1 Zr Zr3 1 5.40429981 5.40429981 5.40429981 1 [/CIF]
PbVZr2
Fm-3m
225
cubic
m-3m
7,821.836252
false
[CIF] data_LaV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06347495 _cell_length_b 6.06347495 _cell_length_c 6.06347495 _cell_angle_alpha 145.83509491 _cell_angle_beta 129.43888895 _cell_angle_gamma 62.43984978 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaV _chemical_formula_sum 'La2 V2' _cell_volume 95.66177358 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.78113115 -1.29470658 4.01198339 1 La La1 1 0.00000000 3.88411975 1.17340374 1 V V2 1 1.78113115 1.29470658 1.80535159 1 V V3 1 0.00000000 1.29470658 3.38003555 1 [/CIF]
La2V2
Imma
74
orthorhombic
mmm
6,590.905288
false
[CIF] data_KSrFeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02049974 _cell_length_b 5.02049974 _cell_length_c 5.02049974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrFeOs _chemical_formula_sum 'K1 Sr1 Fe1 Os1' _cell_volume 89.47997386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.55002941 3.55002941 3.55002941 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 5.32504411 5.32504412 5.32504412 1 Sr Sr3 1 1.77501471 1.77501471 1.77501471 1 [/CIF]
FeKOsSr
F-43m
216
cubic
-43m
6,918.171874
false
[CIF] data_LaNbCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36753636 _cell_length_b 6.36753636 _cell_length_c 6.36753636 _cell_angle_alpha 150.73742103 _cell_angle_beta 150.73742103 _cell_angle_gamma 41.86001511 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbCo _chemical_formula_sum 'La1 Nb1 Co1' _cell_volume 61.54438105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.43640928 1 La La1 1 0.00000000 -0.00000000 4.03544444 1 Nb Nb2 1 0.00000000 0.00000000 7.42292734 1 [/CIF]
CoLaNb
I4mm
107
tetragonal
4mm
7,844.639875
false