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_LaGa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59072673 _cell_length_b 5.59072673 _cell_length_c 5.59072673 _cell_angle_alpha 133.68320895 _cell_angle_beta 133.68320895 _cell_angle_gamma 67.58322679 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGa2Ge _chemical_formula_sum 'La1 Ga2 Ge1' _cell_volume 89.84451580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 2.19868964 -0.00000000 2.32313114 1 Ge Ge2 1 0.00000000 0.00000000 4.64626227 1 La La3 1 -0.00000000 2.19868964 2.32313114 1 [/CIF]
Ga2GeLa
I-4m2
119
tetragonal
-42m
6,487.152196
false
[CIF] data_BMo2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76904664 _cell_length_b 2.76904664 _cell_length_c 6.73326003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BMo2Ir _chemical_formula_sum 'B1 Mo2 Ir1' _cell_volume 51.62807452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 3.36663002 1 Mo Mo2 1 1.38452332 1.38452332 5.36227577 1 Mo Mo3 1 1.38452332 1.38452332 1.37098426 1 [/CIF]
BIrMo2
P4/mmm
123
tetragonal
4/mmm
12,702.90611
false
[CIF] data_YFeCuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53471752 _cell_length_b 4.53471752 _cell_length_c 4.53471752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeCuPt _chemical_formula_sum 'Y1 Fe1 Cu1 Pt1' _cell_volume 65.93799223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 3.20652951 3.20652951 3.20652951 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 4.80979427 4.80979427 4.80979427 1 Y Y3 1 1.60326476 1.60326476 1.60326476 1 [/CIF]
CuFePtY
F-43m
216
cubic
-43m
10,158.478253
false
[CIF] data_Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20007136 _cell_length_b 3.20007136 _cell_length_c 5.05962745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf _chemical_formula_sum Hf2 _cell_volume 44.87128404 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 1.84756206 1.26490686 1 Hf Hf1 1 1.60003568 0.92378103 3.79472059 1 [/CIF]
Hf2
P6_3/mmc
194
hexagonal
6/mmm
13,210.659082
false
[CIF] data_Co2BAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61353342 _cell_length_b 2.61353342 _cell_length_c 6.53623341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2BAu _chemical_formula_sum 'Co2 B1 Au1' _cell_volume 44.64611463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 3.26811671 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 1.30676671 1.30676671 1.15026413 1 Co Co3 1 1.30676671 1.30676671 5.38596928 1 [/CIF]
AuBCo2
P4/mmm
123
tetragonal
4/mmm
12,111.841187
false
[CIF] data_BeSn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70202076 _cell_length_b 3.70202076 _cell_length_c 7.49882223 _cell_angle_alpha 103.40306659 _cell_angle_beta 103.40306659 _cell_angle_gamma 59.83280324 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSn2As _chemical_formula_sum 'Be1 Sn2 As1' _cell_volume 85.61566147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.23522317 -0.00000000 4.25201177 1 Be Be1 1 0.09522808 0.00000000 4.94331346 1 Sn Sn2 1 4.37963825 0.00000000 6.81581282 1 Sn Sn3 1 4.32000699 -0.00000000 2.05307524 1 [/CIF]
AsBeSn2
Cm
8
monoclinic
m
6,232.744104
false
[CIF] data_Li2ZnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95425844 _cell_length_b 4.95425844 _cell_length_c 4.95425844 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZnTe _chemical_formula_sum 'Li2 Zn1 Te1' _cell_volume 85.98465962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75159487 1.75159487 1.75159487 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 5.25478461 5.25478461 5.25478461 1 Zn Zn3 1 3.50318974 3.50318974 3.50318974 1 [/CIF]
Li2TeZn
F-43m
216
cubic
-43m
3,994.926931
false
[CIF] data_KBaMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20076521 _cell_length_b 6.20076521 _cell_length_c 6.20076521 _cell_angle_alpha 121.01548443 _cell_angle_beta 121.01548443 _cell_angle_gamma 88.24994810 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaMg2 _chemical_formula_sum 'K1 Ba1 Mg2' _cell_volume 165.91411089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.45105124 1 K K1 1 0.00000000 -0.00000000 -0.00000000 1 Mg Mg2 1 3.05267359 -0.00000000 2.22552562 1 Mg Mg3 1 0.00000000 3.05267359 2.22552562 1 [/CIF]
BaKMg2
I4/mmm
139
tetragonal
4/mmm
2,252.249101
false
[CIF] data_Li2VW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62161928 _cell_length_b 4.62161928 _cell_length_c 4.62161928 _cell_angle_alpha 130.88503123 _cell_angle_beta 130.88503123 _cell_angle_gamma 71.99580403 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2VW _chemical_formula_sum 'Li2 V1 W1' _cell_volume 55.17918565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.92077266 0.00000000 1.86953401 1 V V2 1 -0.00000000 0.00000000 3.73906801 1 W W3 1 -0.00000000 1.92077266 1.86953401 1 [/CIF]
Li2VW
I-4m2
119
tetragonal
-42m
7,483.174159
false
[CIF] data_SrMgAgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03783463 _cell_length_b 5.03783463 _cell_length_c 5.03783463 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgAgPd _chemical_formula_sum 'Sr1 Mg1 Ag1 Pd1' _cell_volume 90.41005317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56228703 3.56228703 3.56228703 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 5.34343054 5.34343055 5.34343054 1 Sr Sr3 1 1.78114351 1.78114351 1.78114351 1 [/CIF]
AgMgPdSr
F-43m
216
cubic
-43m
5,991.477094
false
[CIF] data_BaNbAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94794652 _cell_length_b 4.94794652 _cell_length_c 6.93329162 _cell_angle_alpha 98.64450237 _cell_angle_beta 98.64450237 _cell_angle_gamma 38.19715515 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbAg2 _chemical_formula_sum 'Ba1 Nb1 Ag2' _cell_volume 103.62702215 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.72718510 0.00000000 1.14875492 1 Ag Ag1 1 1.52121094 0.00000000 5.69627027 1 Ba Ba2 1 4.12419802 -0.00000000 3.42251260 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2BaNb
C2/m
12
monoclinic
2/m
7,146.304379
false
[CIF] data_K2FeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41182624 _cell_length_b 4.45386316 _cell_length_c 5.86338042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.60371139 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2FeSe _chemical_formula_sum 'K2 Fe1 Se1' _cell_volume 115.20709680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.24011603 2.22693158 1.52322449 1 K K2 1 2.10993036 2.22693158 4.33983045 1 Se Se3 1 -0.03088992 0.00000000 2.93152747 1 [/CIF]
FeK2Se
P2/m
10
monoclinic
2/m
3,070.101477
false
[CIF] data_Be2AlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49761051 _cell_length_b 4.49761051 _cell_length_c 4.49761051 _cell_angle_alpha 137.70480349 _cell_angle_beta 131.77104228 _cell_angle_gamma 66.05602711 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AlRh _chemical_formula_sum 'Be2 Al1 Rh1' _cell_volume 44.97265155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87105147 1 Be Be1 1 -0.00000000 1.83754880 3.66140108 1 Be Be2 1 -0.00000000 0.00000000 5.70852113 1 Rh Rh3 1 -0.00000000 1.83754880 0.07147264 1 [/CIF]
AlBe2Rh
Imm2
44
orthorhombic
mm2
5,461.378456
false
[CIF] data_SrV4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22766824 _cell_length_b 5.22766824 _cell_length_c 5.22766824 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrV4P _chemical_formula_sum 'Sr1 V4 P1' _cell_volume 101.02039369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 1.84825983 1.84825983 1.84825983 1 V V2 1 2.80703067 2.80703067 4.58600865 1 V V3 1 2.80703067 4.58600865 2.80703067 1 V V4 1 4.58600865 2.80703067 2.80703067 1 V V5 1 4.58600865 4.58600865 4.58600865 1 [/CIF]
PSrV4
F-43m
216
cubic
-43m
5,298.840746
false
[CIF] data_Ta2FeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49631741 _cell_length_b 4.49631741 _cell_length_c 4.49631741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2FeAu _chemical_formula_sum 'Ta2 Fe1 Au1' _cell_volume 64.27704275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76906480 4.76906480 4.76906480 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.58968827 1.58968827 1.58968827 1 Ta Ta3 1 3.17937653 3.17937653 3.17937653 1 [/CIF]
AuFeTa2
F-43m
216
cubic
-43m
15,880.405985
false
[CIF] data_LiLa2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43749541 _cell_length_b 5.43749541 _cell_length_c 5.43749541 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLa2Mg _chemical_formula_sum 'Li1 La2 Mg1' _cell_volume 113.67938443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.84488988 3.84488988 3.84488988 1 La La1 1 5.76733482 5.76733482 5.76733482 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 1.92244494 1.92244494 1.92244494 1 [/CIF]
La2LiMg
F-43m
216
cubic
-43m
4,514.460782
false
[CIF] data_Ba2BeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67670735 _cell_length_b 5.67670735 _cell_length_c 3.99082393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BeAu _chemical_formula_sum 'Ba2 Be1 Au1' _cell_volume 128.60432644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.83835368 2.83835368 0.00000000 1 Ba Ba1 1 2.83835368 0.00000000 1.99541196 1 Ba Ba2 1 0.00000000 2.83835368 1.99541196 1 Be Be3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBa2Be
P4/mmm
123
tetragonal
4/mmm
6,205.930095
false
[CIF] data_YbV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71956805 _cell_length_b 4.71956805 _cell_length_c 4.71956805 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbV _chemical_formula_sum 'Yb1 V1' _cell_volume 74.33472832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 0.00000000 0.00000000 0.00000000 1 Yb Yb1 1 5.00585786 5.00585786 5.00585786 1 [/CIF]
VYb
F-43m
216
cubic
-43m
5,003.761861
false
[CIF] data_CrSe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87013825 _cell_length_b 4.87013825 _cell_length_c 4.87013825 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSe2Br _chemical_formula_sum 'Cr1 Se2 Br1' _cell_volume 81.67871017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16556167 5.16556167 5.16556167 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.72185389 1.72185389 1.72185389 1 Se Se3 1 3.44370778 3.44370778 3.44370778 1 [/CIF]
BrCrSe2
F-43m
216
cubic
-43m
5,892.08127
false
[CIF] data_YZrReAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85732137 _cell_length_b 4.85732137 _cell_length_c 4.85732137 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrReAu _chemical_formula_sum 'Y1 Zr1 Re1 Au1' _cell_volume 81.03553750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.15196732 5.15196732 5.15196732 1 Re Re1 1 1.71732244 1.71732244 1.71732244 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.43464488 3.43464488 3.43464488 1 [/CIF]
AuReYZr
F-43m
216
cubic
-43m
11,542.927491
false
[CIF] data_Sr4InNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.82845091 _cell_length_b 12.82845091 _cell_length_c 7.94075413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 160.27353922 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4InNi _chemical_formula_sum 'Sr8 In2 Ni2' _cell_volume 441.08530245 _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 In In0 1 2.19747349 -2.17335638 1.98518853 1 In In1 1 2.19747349 2.17335638 5.95556560 1 Ni Ni2 1 2.19747349 5.34287828 1.98518853 1 Ni Ni3 1 2.19747349 -5.34287828 5.95556560 1 Sr Sr4 1 2.19747349 -7.92070078 7.81694880 1 Sr Sr5 1 2.19747349 7.92070078 3.84657174 1 Sr Sr6 1 2.19747349 -7.92070078 4.09418239 1 Sr Sr7 1 2.19747349 7.92070078 0.12380533 1 Sr Sr8 1 2.19747349 2.43995273 1.98518853 1 Sr Sr9 1 2.19747349 -2.43995273 5.95556560 1 Sr Sr10 1 0.00000000 0.00000000 0.00000000 1 Sr Sr11 1 0.00000000 0.00000000 3.97037707 1 [/CIF]
In2Ni2Sr8
Cmcm
63
orthorhombic
mmm
3,945.305751
false
[CIF] data_Cd2InW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86577010 _cell_length_b 4.86577010 _cell_length_c 4.86577010 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2InW _chemical_formula_sum 'Cd2 In1 W1' _cell_volume 81.45912803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 5.16092855 5.16092855 5.16092855 1 In In2 1 3.44061903 3.44061903 3.44061903 1 W W3 1 1.72030952 1.72030952 1.72030951 1 [/CIF]
Cd2InW
F-43m
216
cubic
-43m
10,671.106009
false
[CIF] data_Zr2BeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55976040 _cell_length_b 4.55976040 _cell_length_c 4.55976040 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BeTc _chemical_formula_sum 'Zr2 Be1 Tc1' _cell_volume 67.03645964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 4.83635625 4.83635625 4.83635625 1 Zr Zr2 1 3.22423750 3.22423750 3.22423750 1 Zr Zr3 1 1.61211875 1.61211875 1.61211875 1 [/CIF]
BeTcZr2
F-43m
216
cubic
-43m
7,192.574362
false
[CIF] data_LaPb3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19560007 _cell_length_b 6.19560007 _cell_length_c 6.19560007 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPb3C _chemical_formula_sum 'La1 Pb3 C1' _cell_volume 237.82096007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09780004 0.00000000 3.09780004 1 Pb Pb1 1 3.09780004 3.09780004 0.00000000 1 Pb Pb2 1 0.00000000 3.09780004 3.09780004 1 C C3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 3.09780004 3.09780004 3.09780004 1 [/CIF]
CLaPb3
Pm-3m
221
cubic
m-3m
5,393.945426
false
[CIF] data_TaW2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24027840 _cell_length_b 5.24027840 _cell_length_c 5.24027840 _cell_angle_alpha 144.81891318 _cell_angle_beta 123.79497206 _cell_angle_gamma 68.06479446 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaW2Cl _chemical_formula_sum 'Ta1 W2 Cl1' _cell_volume 67.90654133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.28383535 1 Ta Ta1 1 -0.00000000 2.46843621 1.93672620 1 W W2 1 0.00000000 0.00000000 0.23259810 1 W W3 1 1.58367797 0.00000000 2.23230049 1 [/CIF]
ClTaW2
Imm2
44
orthorhombic
mm2
14,282.705323
false
[CIF] data_TiVSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96375269 _cell_length_b 6.96375269 _cell_length_c 6.96375269 _cell_angle_alpha 28.73243434 _cell_angle_beta 28.73243434 _cell_angle_gamma 28.73243434 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiVSe2 _chemical_formula_sum 'Ti1 V1 Se2' _cell_volume 68.99876150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 -0.00000000 -0.00000000 15.05870247 1 Se Se1 1 -0.00000000 0.00000000 4.95678132 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 -0.00000000 -0.00000000 10.00774189 1 [/CIF]
Se2TiV
R-3m
166
trigonal
-3m
6,178.483414
false
[CIF] data_TiIn2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32080244 _cell_length_b 3.32080244 _cell_length_c 7.79779027 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiIn2Tc _chemical_formula_sum 'Ti1 In2 Tc1' _cell_volume 85.99191669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.66040122 1.66040122 7.51281262 1 In In1 1 0.00000000 0.00000000 2.40481458 1 Tc Tc2 1 1.66040122 1.66040122 4.23251143 1 Ti Ti3 1 0.00000000 0.00000000 5.34433705 1 [/CIF]
In2TcTi
P4mm
99
tetragonal
4mm
7,268.615536
false
[CIF] data_SnPtSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34621885 _cell_length_b 6.34621885 _cell_length_c 6.34621885 _cell_angle_alpha 145.81972337 _cell_angle_beta 133.31718023 _cell_angle_gamma 59.11540272 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPtSe2 _chemical_formula_sum 'Sn1 Pt1 Se2' _cell_volume 103.54819920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 -0.00000000 -0.00000000 5.52031777 1 Se Se1 1 -0.00000000 2.51443027 1.69102956 1 Se Se2 1 1.86500021 -0.00000000 3.82928821 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtSe2Sn
Immm
71
orthorhombic
mmm
7,564.702718
false
[CIF] data_KSn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14959607 _cell_length_b 5.14959607 _cell_length_c 5.14959607 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSn2Mo _chemical_formula_sum 'K1 Sn2 Mo1' _cell_volume 96.56160943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64131430 3.64131430 3.64131430 1 Sn Sn2 1 5.46197145 5.46197145 5.46197145 1 Sn Sn3 1 1.82065715 1.82065715 1.82065715 1 [/CIF]
KMoSn2
Fm-3m
225
cubic
m-3m
6,405.390013
false
[CIF] data_LaBeIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66020215 _cell_length_b 4.66020215 _cell_length_c 4.66020215 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeIrRh _chemical_formula_sum 'La1 Be1 Ir1 Rh1' _cell_volume 71.56476823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.29526054 3.29526054 3.29526054 1 La La2 1 4.94289081 4.94289081 4.94289081 1 Rh Rh3 1 1.64763027 1.64763027 1.64763027 1 [/CIF]
BeIrLaRh
F-43m
216
cubic
-43m
10,279.995292
false
[CIF] data_Fe2PBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05470415 _cell_length_b 3.05470415 _cell_length_c 8.07534552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.17217445 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2PBr _chemical_formula_sum 'Fe2 P1 Br1' _cell_volume 75.15311465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07994417 -0.00000000 1.20492231 1 Fe Fe1 1 0.00000000 0.00000000 7.68741077 1 Fe Fe2 1 2.07994417 -0.00000000 6.09492332 1 P P3 1 0.00000000 0.00000000 5.20110741 1 [/CIF]
BrFe2P
Cmm2
35
orthorhombic
mm2
4,917.726504
false
[CIF] data_CrHgAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90012069 _cell_length_b 2.90012069 _cell_length_c 8.23645543 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHgAu2 _chemical_formula_sum 'Cr1 Hg1 Au2' _cell_volume 69.27435575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 0.08519542 1 Au Au1 1 1.45006034 1.45006034 2.27037696 1 Cr Cr2 1 0.00000000 0.00000000 4.00019708 1 Hg Hg3 1 1.45006034 1.45006034 5.99891359 1 [/CIF]
Au2CrHg
P4mm
99
tetragonal
4mm
15,498.362516
false
[CIF] data_LiTiMnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66034604 _cell_length_b 4.66034604 _cell_length_c 4.66034604 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiMnPb _chemical_formula_sum 'Li1 Ti1 Mn1 Pb1' _cell_volume 71.57139769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 4.94304343 4.94304343 4.94304344 1 Pb Pb2 1 1.64768114 1.64768114 1.64768115 1 Ti Ti3 1 3.29536229 3.29536229 3.29536229 1 [/CIF]
LiMnPbTi
F-43m
216
cubic
-43m
7,353.514207
false
[CIF] data_Dy2CdNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99373540 _cell_length_b 4.99373540 _cell_length_c 4.99373540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2CdNi _chemical_formula_sum 'Dy2 Cd1 Ni1' _cell_volume 88.05653294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53110416 3.53110416 3.53110416 1 Dy Dy1 1 5.29665624 5.29665624 5.29665624 1 Dy Dy2 1 1.76555208 1.76555208 1.76555208 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdDy2Ni
Fm-3m
225
cubic
m-3m
9,355.361946
false
[CIF] data_ZrCdCuRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63692757 _cell_length_b 4.63692757 _cell_length_c 4.63692757 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdCuRe _chemical_formula_sum 'Zr1 Cd1 Cu1 Re1' _cell_volume 70.49786085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63940147 1.63940147 1.63940147 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.91820440 4.91820440 4.91820440 1 Zr Zr3 1 3.27880293 3.27880293 3.27880293 1 [/CIF]
CdCuReZr
F-43m
216
cubic
-43m
10,679.309659
false
[CIF] data_AlMo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12043012 _cell_length_b 4.22194831 _cell_length_c 4.53028507 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlMo2Ru _chemical_formula_sum 'Al1 Mo2 Ru1' _cell_volume 59.68331046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 2.11097415 2.26514253 1 Mo Mo2 1 1.56021506 0.00000000 2.26514253 1 Ru Ru3 1 1.56021506 2.11097415 0.00000000 1 [/CIF]
AlMo2Ru
Pmmm
47
orthorhombic
mmm
8,902.408998
false
[CIF] data_K2LiFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84465396 _cell_length_b 6.29591199 _cell_length_c 7.31890906 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.85663874 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiFe _chemical_formula_sum 'K2 Li1 Fe1' _cell_volume 174.54359674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02528725 3.14795600 5.40641240 1 K K1 1 2.59205254 0.00000000 7.19305953 1 K K2 1 2.56982165 3.14795600 1.81254052 1 Li Li3 1 1.29228186 0.00000000 3.61517706 1 [/CIF]
FeK2Li
Pm
6
monoclinic
m
1,341.252956
false
[CIF] data_SiAs2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26750207 _cell_length_b 4.28002251 _cell_length_c 4.28002251 _cell_angle_alpha 67.02711486 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAs2Rh _chemical_formula_sum 'Si1 As2 Rh1' _cell_volume 71.97457578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.13375103 -0.00000000 6.52443032 1 As As1 1 0.00000000 0.00000000 2.43455158 1 Rh Rh2 1 2.13375103 -0.00000000 3.85747941 1 Si Si3 1 0.00000000 0.00000000 5.06051723 1 [/CIF]
As2RhSi
Amm2
38
orthorhombic
mm2
6,479.187356
false
[CIF] data_BaTi3Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35684481 _cell_length_b 5.35684481 _cell_length_c 5.35684481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi3Bi _chemical_formula_sum 'Ba1 Ti3 Bi1' _cell_volume 153.71887401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67842241 0.00000000 2.67842241 1 Ti Ti1 1 2.67842241 2.67842241 0.00000000 1 Ti Ti2 1 0.00000000 2.67842241 2.67842241 1 Bi Bi3 1 2.67842241 2.67842241 2.67842241 1 Ba Ba4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBiTi3
Pm-3m
221
cubic
m-3m
5,292.206585
false
[CIF] data_Mn2BBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23333163 _cell_length_b 4.23333163 _cell_length_c 2.89774465 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2BBr _chemical_formula_sum 'Mn2 B1 Br1' _cell_volume 51.93076205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 2.11666582 2.11666582 0.00000000 1 Mn Mn2 1 2.11666582 0.00000000 1.44887232 1 Mn Mn3 1 0.00000000 2.11666582 1.44887232 1 [/CIF]
BBrMn2
P4/mmm
123
tetragonal
4/mmm
6,414.10463
false
[CIF] data_Mg2CdSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28013427 _cell_length_b 5.28004499 _cell_length_c 5.32801874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.26956025 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CdSn _chemical_formula_sum 'Mg2 Cd1 Sn1' _cell_volume 92.27630213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.17125867 0.00000000 4.32296686 1 Mg Mg1 1 2.86088092 2.64002250 5.01948875 1 Mg Mg2 1 2.85459928 0.00000000 1.61536089 1 Sn Sn3 1 1.25093004 2.64002250 2.36208298 1 [/CIF]
CdMg2Sn
Pm
6
monoclinic
m
5,033.841224
false
[CIF] data_SiRu3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54318420 _cell_length_b 4.54318420 _cell_length_c 4.54318420 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiRu3Br _chemical_formula_sum 'Si1 Ru3 Br1' _cell_volume 93.77369650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 2.27159210 0.00000000 2.27159210 1 Ru Ru1 1 2.27159210 2.27159210 0.00000000 1 Ru Ru2 1 0.00000000 2.27159210 2.27159210 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 Br Br4 1 2.27159210 2.27159210 2.27159210 1 [/CIF]
BrRu3Si
Pm-3m
221
cubic
m-3m
7,281.496405
false
[CIF] data_ScCuMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49050877 _cell_length_b 4.49050877 _cell_length_c 4.49050877 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCuMo2 _chemical_formula_sum 'Sc1 Cu1 Mo2' _cell_volume 64.02825236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58763460 1.58763460 1.58763460 1 Mo Mo1 1 4.76290380 4.76290380 4.76290380 1 Mo Mo2 1 3.17526920 3.17526920 3.17526920 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuMo2Sc
F-43m
216
cubic
-43m
7,791.284362
false
[CIF] data_Si2NiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28820356 _cell_length_b 4.28820356 _cell_length_c 4.28820356 _cell_angle_alpha 136.97381006 _cell_angle_beta 118.89480722 _cell_angle_gamma 77.62876779 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiB _chemical_formula_sum 'Si2 Ni1 B1' _cell_volume 45.81383311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 -0.00000000 3.34128517 1 Si Si2 1 -0.00000000 2.17981869 1.96647897 1 Si Si3 1 1.57254370 -0.00000000 1.37480620 1 [/CIF]
BNiSi2
Immm
71
orthorhombic
mmm
4,555.150644
false
[CIF] data_BeCrRePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35662441 _cell_length_b 4.35662441 _cell_length_c 4.35662441 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrRePb _chemical_formula_sum 'Be1 Cr1 Re1 Pb1' _cell_volume 58.47030539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 3.08059866 3.08059866 3.08059866 1 Pb Pb2 1 1.54029933 1.54029933 1.54029933 1 Re Re3 1 4.62089799 4.62089799 4.62089799 1 [/CIF]
BeCrPbRe
F-43m
216
cubic
-43m
12,905.257175
false
[CIF] data_UZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42489472 _cell_length_b 5.42489472 _cell_length_c 5.42489472 _cell_angle_alpha 30.47774548 _cell_angle_beta 30.47774548 _cell_angle_gamma 30.47774548 _symmetry_Int_Tables_number 1 _chemical_formula_structural UZn _chemical_formula_sum 'U1 Zn1' _cell_volume 36.40620352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy U U0 1 0.00000000 0.00000000 7.75350000 1 Zn Zn1 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
UZn
R-3m
166
trigonal
-3m
13,838.91373
false
[CIF] data_CoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53248946 _cell_length_b 5.52498800 _cell_length_c 5.59984503 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.73502751 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoP2 _chemical_formula_sum 'Co4 P8' _cell_volume 155.46569290 _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 Co Co0 1 3.53003217 2.76888978 1.08115229 1 Co Co1 1 0.83090696 0.00639578 1.46188446 1 Co Co2 1 2.35848185 5.51859222 3.62418905 1 Co Co3 1 -0.34064336 2.75609822 4.00492122 1 P P4 1 4.34899713 0.70562992 0.67584538 1 P P5 1 1.45120620 2.04700982 0.92300674 1 P P6 1 2.90973294 4.80950382 1.62003002 1 P P7 1 0.01194201 3.46812392 1.86719137 1 P P8 1 3.17744681 2.05686408 3.21888214 1 P P9 1 0.27965588 0.71548418 3.46604349 1 P P10 1 1.73818262 3.47797818 4.16306677 1 P P11 1 -1.15960831 4.81935808 4.41022813 1 [/CIF]
Co4P8
P2_1/c
14
monoclinic
2/m
5,164.538942
false
[CIF] data_Na3VAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65366208 _cell_length_b 5.65366208 _cell_length_c 5.65366208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3VAu _chemical_formula_sum 'Na3 V1 Au1' _cell_volume 180.71306061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.82683104 0.00000000 1 Na Na1 1 0.00000000 0.00000000 2.82683104 1 Na Na2 1 2.82683104 0.00000000 0.00000000 1 Au Au3 1 2.82683104 2.82683104 2.82683104 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNa3V
Pm-3m
221
cubic
m-3m
2,911.727917
false
[CIF] data_NaNbFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23456151 _cell_length_b 3.23456151 _cell_length_c 7.01654064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbFe2 _chemical_formula_sum 'Na1 Nb1 Fe2' _cell_volume 73.40977173 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61728075 1.61728075 4.71084427 1 Fe Fe1 1 1.61728075 1.61728075 2.30569637 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 0.00000000 0.00000000 3.50827032 1 [/CIF]
Fe2NaNb
P4/mmm
123
tetragonal
4/mmm
5,148.029792
false
[CIF] data_Mg6VCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88013217 _cell_length_b 6.10829094 _cell_length_c 6.10829094 _cell_angle_alpha 60.30492391 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6VCu _chemical_formula_sum 'Mg6 V1 Cu1' _cell_volume 158.17137162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 2.44006609 1.47571819 4.34624694 1 Mg Mg1 1 2.44006609 -1.47571819 4.34624694 1 Mg Mg2 1 2.44006609 0.00000000 7.04697076 1 Mg Mg3 1 0.00000000 1.60718379 6.18911292 1 Mg Mg4 1 0.00000000 -1.60718379 6.18911292 1 Mg Mg5 1 0.00000000 -0.00000000 8.82221874 1 V V6 1 0.00000000 -0.00000000 3.48852315 1 Cu Cu7 1 2.44006609 -0.00000000 1.82588302 1 [/CIF]
CuMg6V
Amm2
38
orthorhombic
mm2
2,732.905291
false
[CIF] data_AlBiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55044632 _cell_length_b 4.55044632 _cell_length_c 3.46696907 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.31465321 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBiW2 _chemical_formula_sum 'Al1 Bi1 W2' _cell_volume 71.77011224 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 3.18052596 0.00000000 0.00000000 1 W W2 1 1.59026298 -1.62717672 1.73348454 1 W W3 1 1.59026298 1.62717672 1.73348454 1 [/CIF]
AlBiW2
Cmmm
65
orthorhombic
mmm
13,966.412899
false
[CIF] data_GaRe2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35491694 _cell_length_b 4.35491694 _cell_length_c 3.08616178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRe2Ge _chemical_formula_sum 'Ga1 Re2 Ge1' _cell_volume 58.52998884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 2.17745847 2.17745847 0.00000000 1 Re Re2 1 2.17745847 0.00000000 1.54308089 1 Re Re3 1 0.00000000 2.17745847 1.54308089 1 [/CIF]
GaGeRe2
P4/mmm
123
tetragonal
4/mmm
14,604.618982
false
[CIF] data_SrMn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23070383 _cell_length_b 6.23070383 _cell_length_c 6.23070383 _cell_angle_alpha 36.22463570 _cell_angle_beta 36.22463570 _cell_angle_gamma 36.22463570 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2Cu _chemical_formula_sum 'Sr1 Mn2 Cu1' _cell_volume 75.58454960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12473652 1 Mn Mn1 1 -0.00000000 -0.00000000 0.35584946 1 Mn Mn2 1 0.00000000 -0.00000000 12.02333141 1 Sr Sr3 1 0.00000000 -0.00000000 8.66543549 1 [/CIF]
CuMn2Sr
R3m
160
trigonal
3m
5,734.909987
false
[CIF] data_SbPRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45015701 _cell_length_b 6.45015701 _cell_length_c 6.45015701 _cell_angle_alpha 153.07831126 _cell_angle_beta 153.07831126 _cell_angle_gamma 38.44066551 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbPRu _chemical_formula_sum 'Sb1 P1 Ru1' _cell_volume 54.92329242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.52610007 1 Ru Ru1 1 0.00000000 -0.00000000 7.80595512 1 Sb Sb2 1 0.00000000 -0.00000000 3.84919011 1 [/CIF]
PRuSb
I4mm
107
tetragonal
4mm
7,673.44862
false
[CIF] data_Ca2NbCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31433324 _cell_length_b 4.00267760 _cell_length_c 7.07526065 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.97971521 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2NbCu _chemical_formula_sum 'Ca2 Nb1 Cu1' _cell_volume 93.84815393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.56878288 2.00133880 5.40887769 1 Ca Ca1 1 1.62457457 2.00133880 1.66534864 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 -0.06048790 0.00000000 3.53711316 1 [/CIF]
Ca2CuNb
P2/m
10
monoclinic
2/m
4,186.523038
false
[CIF] data_Al2BiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47948621 _cell_length_b 9.47948621 _cell_length_c 9.47948621 _cell_angle_alpha 19.24611948 _cell_angle_beta 19.24611948 _cell_angle_gamma 19.24611948 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2BiMo _chemical_formula_sum 'Al2 Bi1 Mo1' _cell_volume 80.90835545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 20.52783115 1 Al Al1 1 0.00000000 0.00000000 7.37580269 1 Bi Bi2 1 0.00000000 -0.00000000 13.95181692 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2BiMo
R-3m
166
trigonal
-3m
7,366.028408
false
[CIF] data_Tl2TcBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55277858 _cell_length_b 6.55277858 _cell_length_c 6.55277858 _cell_angle_alpha 141.44756610 _cell_angle_beta 141.44756610 _cell_angle_gamma 55.66182909 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2TcBr _chemical_formula_sum 'Tl2 Tc1 Br1' _cell_volume 108.46782983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 2.16322030 -0.00000000 2.89740673 1 Tl Tl2 1 0.00000000 -0.00000000 5.79481346 1 Tl Tl3 1 0.00000000 2.16322030 2.89740673 1 [/CIF]
BrTcTl2
I-4m2
119
tetragonal
-42m
8,995.24064
false
[CIF] data_Hf2NbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25266217 _cell_length_b 3.25266217 _cell_length_c 7.07186082 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2NbOs _chemical_formula_sum 'Hf2 Nb1 Os1' _cell_volume 74.81895225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62633108 1.62633108 5.16112790 1 Hf Hf1 1 1.62633108 1.62633108 1.91073292 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 3.53593041 1 [/CIF]
Hf2NbOs
P4/mmm
123
tetragonal
4/mmm
14,206.804882
false
[CIF] data_Sc2InSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78781727 _cell_length_b 3.78781727 _cell_length_c 7.53761743 _cell_angle_alpha 103.52817573 _cell_angle_beta 103.52817573 _cell_angle_gamma 58.82970028 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2InSe _chemical_formula_sum 'Sc2 In1 Se1' _cell_volume 89.13465485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 2.28743244 -0.00000000 3.63037252 1 Sc Sc1 1 4.43492629 -0.00000000 1.56798105 1 Sc Sc2 1 0.13993859 0.00000000 5.69276399 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InSc2Se
C2/m
12
monoclinic
2/m
5,285.015535
false
[CIF] data_LiBeAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52045782 _cell_length_b 5.52045782 _cell_length_c 5.52045782 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeAs4 _chemical_formula_sum 'Li1 Be1 As4' _cell_volume 118.96255690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86717800 4.86717800 2.93992832 1 As As1 1 2.93992832 2.93992832 2.93992832 1 As As2 1 4.86717800 2.93992832 4.86717800 1 As As3 1 2.93992832 4.86717800 4.86717800 1 Be Be4 1 5.85532974 5.85532974 5.85532974 1 Li Li5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As4BeLi
F-43m
216
cubic
-43m
4,405.855679
false
[CIF] data_ScVSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10188576 _cell_length_b 5.10188576 _cell_length_c 5.10188576 _cell_angle_alpha 142.60205745 _cell_angle_beta 142.60205745 _cell_angle_gamma 53.92293628 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScVSi _chemical_formula_sum 'Sc1 V1 Si1' _cell_volume 48.66289163 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 -0.00000000 0.00138322 1 Si Si1 1 -0.00000000 0.00000000 2.80712060 1 V V2 1 0.00000000 0.00000000 6.28623655 1 [/CIF]
ScSiV
I4mm
107
tetragonal
4mm
4,230.707835
false
[CIF] data_Al2CoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55193030 _cell_length_b 4.55193030 _cell_length_c 4.55193030 _cell_angle_alpha 128.47811239 _cell_angle_beta 128.47811239 _cell_angle_gamma 75.85177496 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CoAu _chemical_formula_sum 'Al2 Co1 Au1' _cell_volume 56.21228667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97834760 0.00000000 1.79529600 1 Al Al1 1 -0.00000000 1.97834760 1.79529600 1 Au Au2 1 -0.00000000 0.00000000 3.59059201 1 Co Co3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Al2AuCo
I4/mmm
139
tetragonal
4/mmm
9,153.503328
false
[CIF] data_ZnOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18125754 _cell_length_b 4.18125754 _cell_length_c 4.18125754 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnOsAu _chemical_formula_sum 'Zn1 Os1 Au1' _cell_volume 51.68990771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47829778 1.47829778 1.47829778 1 Os Os1 1 4.43489334 4.43489334 4.43489334 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuOsZn
F-43m
216
cubic
-43m
14,539.02912
false
[CIF] data_Be2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47795570 _cell_length_b 4.47795570 _cell_length_c 4.47795570 _cell_angle_alpha 132.23393413 _cell_angle_beta 126.01523528 _cell_angle_gamma 74.92046898 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2PtSe _chemical_formula_sum 'Be2 Pt1 Se1' _cell_volume 52.38983794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81299364 -0.00000000 1.75857372 1 Be Be1 1 -0.00000000 2.03241886 1.79591849 1 Pt Pt2 1 0.00000000 0.00000000 3.55449221 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2PtSe
Immm
71
orthorhombic
mmm
9,257.347372
false
[CIF] data_MnVSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46352157 _cell_length_b 4.46352157 _cell_length_c 4.46352157 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVSe2 _chemical_formula_sum 'Mn1 V1 Se2' _cell_volume 62.88077934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15618637 3.15618637 3.15618637 1 Se Se1 1 4.73427955 4.73427956 4.73427956 1 Se Se2 1 1.57809318 1.57809318 1.57809318 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnSe2V
Fm-3m
225
cubic
m-3m
6,966.348936
false
[CIF] data_MnIrOsC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10387677 _cell_length_b 4.10387677 _cell_length_c 4.10387677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnIrOsC _chemical_formula_sum 'Mn1 Os1 Ir1 C1' _cell_volume 48.87288049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.90187909 2.90187909 2.90187909 1 Os Os1 1 1.45093955 1.45093955 1.45093955 1 C C2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 4.35281864 4.35281864 4.35281864 1 [/CIF]
CIrMnOs
F-43m
216
cubic
-43m
15,268.983197
false
[CIF] data_MnNbSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33959966 _cell_length_b 4.33959966 _cell_length_c 4.33959966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbSn _chemical_formula_sum 'Mn1 Nb1 Sn1' _cell_volume 57.78751283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 4.60284052 4.60284052 4.60284052 1 Sn Sn2 1 1.53428017 1.53428017 1.53428017 1 [/CIF]
MnNbSn
F-43m
216
cubic
-43m
7,659.510064
false
[CIF] data_Tl5As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23412612 _cell_length_b 6.23412612 _cell_length_c 5.89513830 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl5As _chemical_formula_sum 'Tl5 As1' _cell_volume 198.41559236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 3.11706306 1.79963720 0.00000000 1 Tl Tl2 1 0.00000000 3.59927439 0.00000000 1 Tl Tl3 1 -1.55853153 2.69945580 2.94756915 1 Tl Tl4 1 1.55853153 2.69945580 2.94756915 1 Tl Tl5 1 3.11706306 0.00000000 2.94756915 1 [/CIF]
AsTl5
P6/mmm
191
hexagonal
6/mmm
9,179.432388
false
[CIF] data_Ca2Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46739311 _cell_length_b 7.46739311 _cell_length_c 8.01143692 _cell_angle_alpha 103.94895002 _cell_angle_beta 103.94895002 _cell_angle_gamma 27.30066628 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Zr _chemical_formula_sum 'Ca4 Zr2' _cell_volume 198.49431156 _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 Ca Ca0 1 10.18453610 0.00000000 6.82270389 1 Ca Ca1 1 0.73988870 0.00000000 4.23774164 1 Ca Ca2 1 2.34105329 0.00000000 0.93832456 1 Ca Ca3 1 11.78570068 -0.00000000 3.52328681 1 Zr Zr4 1 6.72878824 0.00000000 1.36679495 1 Zr Zr5 1 5.79680115 0.00000000 6.39423350 1 [/CIF]
Ca4Zr2
C2/m
12
monoclinic
2/m
2,867.419051
false
[CIF] data_Li2Sb2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10482276 _cell_length_b 4.10482276 _cell_length_c 14.25213969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Sb2P _chemical_formula_sum 'Li4 Sb4 P2' _cell_volume 240.14242380 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 2.05241138 2.05241138 0.00000000 1 Li Li2 1 2.05241138 0.00000000 9.25946636 1 Li Li3 1 0.00000000 2.05241138 4.99267333 1 P P4 1 2.05241138 0.00000000 1.89926778 1 P P5 1 0.00000000 2.05241138 12.35287191 1 Sb Sb6 1 0.00000000 0.00000000 7.12606984 1 Sb Sb7 1 2.05241138 2.05241138 7.12606984 1 Sb Sb8 1 2.05241138 0.00000000 12.03688045 1 Sb Sb9 1 0.00000000 2.05241138 2.21525924 1 [/CIF]
Li4P2Sb4
P4/nmm
129
tetragonal
4/mmm
3,988.126805
false
[CIF] data_ZrV2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25104651 _cell_length_b 5.25104651 _cell_length_c 5.25104651 _cell_angle_alpha 146.00191414 _cell_angle_beta 132.62549181 _cell_angle_gamma 59.58499300 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrV2Fe _chemical_formula_sum 'Zr1 V2 Fe1' _cell_volume 59.03282926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 -0.00000000 2.10957680 2.40096061 1 V V2 1 1.53517354 0.00000000 2.15605787 1 Zr Zr3 1 0.00000000 0.00000000 4.55701848 1 [/CIF]
FeV2Zr
Immm
71
orthorhombic
mmm
7,002.790259
false
[CIF] data_CaCo2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11169660 _cell_length_b 3.11169660 _cell_length_c 7.19976407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCo2Ag _chemical_formula_sum 'Ca1 Co2 Ag1' _cell_volume 69.71283676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55584830 1.55584830 3.24410447 1 Ca Ca1 1 0.00000000 0.00000000 5.58212648 1 Co Co2 1 1.55584830 1.55584830 0.49903228 1 Co Co3 1 0.00000000 0.00000000 1.47438288 1 [/CIF]
AgCaCo2
P4mm
99
tetragonal
4mm
6,331.614019
false
[CIF] data_NbRuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11136802 _cell_length_b 6.11136802 _cell_length_c 6.11136802 _cell_angle_alpha 150.42301047 _cell_angle_beta 150.42301047 _cell_angle_gamma 42.32082232 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRuBr _chemical_formula_sum 'Nb1 Ru1 Br1' _cell_volume 55.47474699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.29145177 1 Nb Nb1 1 -0.00000000 0.00000000 3.62707469 1 Ru Ru2 1 0.00000000 0.00000000 7.87867166 1 [/CIF]
BrNbRu
I4mm
107
tetragonal
4mm
8,198.127891
false
[CIF] data_KSbP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08113789 _cell_length_b 5.08113789 _cell_length_c 5.08113789 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSbP _chemical_formula_sum 'K1 Sb1 P1' _cell_volume 92.76153896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.79645353 1.79645353 1.79645353 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 3.59290706 3.59290706 3.59290706 1 [/CIF]
KPSb
F-43m
216
cubic
-43m
3,434.016261
false
[CIF] data_KCrBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05882897 _cell_length_b 5.05882897 _cell_length_c 5.05882897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrBiPd _chemical_formula_sum 'K1 Cr1 Bi1 Pd1' _cell_volume 91.54507675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.36569840 5.36569840 5.36569841 1 Cr Cr1 1 1.78856613 1.78856613 1.78856614 1 K K2 1 0.00000000 -0.00000000 0.00000000 1 Pd Pd3 1 3.57713227 3.57713227 3.57713227 1 [/CIF]
BiCrKPd
F-43m
216
cubic
-43m
7,373.42214
false
[CIF] data_Y7Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06622379 _cell_length_b 7.06622379 _cell_length_c 7.06622379 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y7Tl _chemical_formula_sum 'Y7 Tl1' _cell_volume 249.48656589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 4.99657476 4.99657476 4.99657476 1 Y Y1 1 2.49828738 0.00000000 2.49828738 1 Y Y2 1 0.00000000 2.49828738 2.49828738 1 Y Y3 1 2.49828738 2.49828738 4.99657476 1 Y Y4 1 2.49828738 4.99657476 2.49828738 1 Y Y5 1 4.99657476 2.49828738 2.49828738 1 Y Y6 1 2.49828738 2.49828738 0.00000000 1 Y Y7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TlY7
Fm-3m
225
cubic
m-3m
5,502.532409
false
[CIF] data_CaBeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46213345 _cell_length_b 5.86439284 _cell_length_c 3.81661234 _cell_angle_alpha 80.74617763 _cell_angle_beta 63.59726021 _cell_angle_gamma 35.65656216 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeSe _chemical_formula_sum 'Ca1 Be1 Se1' _cell_volume 69.72728928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89716425 3.31169104 0.34910724 1 Ca Ca1 1 1.89716425 3.31169104 3.71130197 1 Se Se2 1 1.89716425 3.31169104 7.03767553 1 [/CIF]
BeCaSe
Fmm2
42
orthorhombic
mm2
3,049.4851
false
[CIF] data_Ti2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66191674 _cell_length_b 8.66191674 _cell_length_c 8.66191674 _cell_angle_alpha 19.43224022 _cell_angle_beta 19.43224022 _cell_angle_gamma 19.43224022 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2PtRh _chemical_formula_sum 'Ti2 Pt1 Rh1' _cell_volume 62.89252719 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 -0.00000000 -0.00000000 12.74377683 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 0.00000000 -0.00000000 19.05402921 1 Ti Ti3 1 -0.00000000 0.00000000 6.43352446 1 [/CIF]
PtRhTi2
R-3m
166
trigonal
-3m
10,395.404387
false
[CIF] data_KCo3Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41226812 _cell_length_b 4.41226812 _cell_length_c 4.41226812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCo3Si _chemical_formula_sum 'K1 Co3 Si1' _cell_volume 85.89852095 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20613406 2.20613406 2.20613406 1 Co Co1 1 2.20613406 0.00000000 2.20613406 1 Co Co2 1 2.20613406 2.20613406 0.00000000 1 Co Co3 1 0.00000000 2.20613406 2.20613406 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co3KSi
Pm-3m
221
cubic
m-3m
4,716.541542
false
[CIF] data_La2NbPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92206656 _cell_length_b 5.92206656 _cell_length_c 3.35444467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.12262092 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbPb _chemical_formula_sum 'La2 Nb1 Pb1' _cell_volume 111.15170208 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71690026 -2.41246173 1.67722233 1 La La1 1 1.71690026 2.41246173 1.67722233 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.43380052 -0.00000000 0.00000000 1 [/CIF]
La2NbPb
Cmmm
65
orthorhombic
mmm
8,633.825132
false
[CIF] data_EuTlNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65875747 _cell_length_b 4.65875747 _cell_length_c 4.65875747 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuTlNi2 _chemical_formula_sum 'Eu1 Tl1 Ni2' _cell_volume 71.49823302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 4.94135850 4.94135850 4.94135850 1 Ni Ni2 1 1.64711950 1.64711950 1.64711950 1 Tl Tl3 1 3.29423900 3.29423900 3.29423900 1 [/CIF]
EuNi2Tl
Fm-3m
225
cubic
m-3m
11,002.425472
false
[CIF] data_Cu2BW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29227503 _cell_length_b 3.29227503 _cell_length_c 4.27902937 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2BW _chemical_formula_sum 'Cu2 B1 W1' _cell_volume 46.38071973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 1.64613752 2.13951468 1 Cu Cu2 1 1.64613752 0.00000000 2.13951468 1 W W3 1 1.64613752 1.64613752 0.00000000 1 [/CIF]
BCu2W
P4/mmm
123
tetragonal
4/mmm
11,519.157617
false
[CIF] data_HfCo2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54226003 _cell_length_b 4.54226003 _cell_length_c 4.54226003 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCo2Pb _chemical_formula_sum 'Hf1 Co2 Pb1' _cell_volume 66.26755998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21186287 3.21186287 3.21186287 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 4.81779430 4.81779430 4.81779430 1 Pb Pb3 1 1.60593143 1.60593143 1.60593143 1 [/CIF]
Co2HfPb
F-43m
216
cubic
-43m
12,618.165782
false
[CIF] data_Na2MnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76031105 _cell_length_b 5.76031105 _cell_length_c 5.76031105 _cell_angle_alpha 143.47334659 _cell_angle_beta 143.47334659 _cell_angle_gamma 52.61555562 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MnFe _chemical_formula_sum 'Na2 Mn1 Fe1' _cell_volume 67.30819361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16369418 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.80519331 -0.00000000 2.58184709 1 Na Na3 1 -0.00000000 1.80519331 2.58184709 1 [/CIF]
FeMnNa2
I4/mmm
139
tetragonal
4/mmm
3,867.439909
false
[CIF] data_Cs3ReW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03865963 _cell_length_b 6.03865963 _cell_length_c 6.03865963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3ReW _chemical_formula_sum 'Cs3 Re1 W1' _cell_volume 220.20220003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 3.01932982 0.00000000 1 Cs Cs1 1 0.00000000 0.00000000 3.01932982 1 Cs Cs2 1 3.01932982 0.00000000 0.00000000 1 Re Re3 1 3.01932982 3.01932982 3.01932982 1 W W4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs3ReW
Pm-3m
221
cubic
m-3m
5,797.224483
false
[CIF] data_TaMnHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52025188 _cell_length_b 4.52025188 _cell_length_c 4.52025188 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMnHgMo _chemical_formula_sum 'Ta1 Mn1 Hg1 Mo1' _cell_volume 65.30898133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59815038 1.59815038 1.59815038 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 3.19630076 3.19630076 3.19630076 1 Ta Ta3 1 4.79445114 4.79445114 4.79445114 1 [/CIF]
HgMnMoTa
F-43m
216
cubic
-43m
13,537.658005
false
[CIF] data_BaCa2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91279588 _cell_length_b 5.91279588 _cell_length_c 4.46453622 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCa2In _chemical_formula_sum 'Ba1 Ca2 In1' _cell_volume 156.08534332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95639794 2.95639794 0.00000000 1 Ca Ca1 1 2.95639794 0.00000000 2.23226811 1 Ca Ca2 1 0.00000000 2.95639794 2.23226811 1 In In3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCa2In
P4/mmm
123
tetragonal
4/mmm
3,535.237714
false
[CIF] data_GeOsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11955232 _cell_length_b 3.11955232 _cell_length_c 6.88420445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeOsAu2 _chemical_formula_sum 'Ge1 Os1 Au2' _cell_volume 66.99436999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 6.80910556 1 Au Au1 1 1.55977616 1.55977616 1.81511819 1 Ge Ge2 1 0.00000000 0.00000000 3.68559316 1 Os Os3 1 1.55977616 1.55977616 4.90069421 1 [/CIF]
Au2GeOs
P4mm
99
tetragonal
4mm
16,279.68544
false
[CIF] data_GaB2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02760742 _cell_length_b 4.02760742 _cell_length_c 2.96179307 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.40076145 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaB2Pt _chemical_formula_sum 'Ga1 B2 Pt1' _cell_volume 45.84636782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.19218755 -1.62298929 1.48089654 1 B B1 1 1.19218755 1.62298929 1.48089654 1 Ga Ga2 1 -0.00000000 -0.00000000 0.00000000 1 Pt Pt3 1 2.38437510 0.00000000 0.00000000 1 [/CIF]
B2GaPt
Cmmm
65
orthorhombic
mmm
10,374.356069
false
[CIF] data_AlIn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72620331 _cell_length_b 3.72620331 _cell_length_c 7.22023654 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIn2Sb _chemical_formula_sum 'Al1 In2 Sb1' _cell_volume 100.25003206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 1.86310166 1.86310166 1.69031145 1 In In2 1 1.86310166 1.86310166 5.52992509 1 Sb Sb3 1 0.00000000 0.00000000 3.61011827 1 [/CIF]
AlIn2Sb
P4/mmm
123
tetragonal
4/mmm
6,267.436248
false
[CIF] data_VReMoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45690322 _cell_length_b 4.45690322 _cell_length_c 4.45690322 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VReMoAu _chemical_formula_sum 'V1 Re1 Mo1 Au1' _cell_volume 62.60148178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72725974 4.72725974 4.72725974 1 Mo Mo1 1 3.15150649 3.15150649 3.15150649 1 Re Re2 1 1.57575325 1.57575325 1.57575325 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuMoReV
F-43m
216
cubic
-43m
14,060.535553
false
[CIF] data_Ba4GePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83046740 _cell_length_b 6.83046740 _cell_length_c 6.83046740 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4GePt _chemical_formula_sum 'Ba4 Ge1 Pt1' _cell_volume 225.33895275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.62371116 3.62371116 6.03602848 1 Ba Ba1 1 3.62371116 6.03602848 3.62371116 1 Ba Ba2 1 6.03602848 3.62371116 3.62371116 1 Ba Ba3 1 6.03602848 6.03602848 6.03602848 1 Ge Ge4 1 0.00000000 0.00000000 0.00000000 1 Pt Pt5 1 2.41493491 2.41493491 2.41493491 1 [/CIF]
Ba4GePt
F-43m
216
cubic
-43m
6,020.767995
false
[CIF] data_Y2FeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88798773 _cell_length_b 4.88798773 _cell_length_c 4.88798773 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2FeAs _chemical_formula_sum 'Y2 Fe1 As1' _cell_volume 82.58008456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45632927 3.45632927 3.45632927 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.18449391 5.18449391 5.18449391 1 Y Y3 1 1.72816464 1.72816464 1.72816464 1 [/CIF]
AsFeY2
Fm-3m
225
cubic
m-3m
6,204.962431
false
[CIF] data_YTl2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40885861 _cell_length_b 3.40885861 _cell_length_c 8.37865019 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.18868702 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTl2Os _chemical_formula_sum 'Y1 Tl2 Os1' _cell_volume 97.29154288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36395127 0.00000000 2.13476788 1 Tl Tl1 1 0.00000000 0.00000000 0.38530605 1 Tl Tl2 1 2.36395127 0.00000000 6.32547109 1 Y Y3 1 0.00000000 0.00000000 3.72243026 1 [/CIF]
OsTl2Y
Cmm2
35
orthorhombic
mm2
11,740.885779
false
[CIF] data_Ba2InBrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26815606 _cell_length_b 4.26815606 _cell_length_c 15.56541577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2InBrO3 _chemical_formula_sum 'Ba4 In2 Br2 O6' _cell_volume 283.55760966 _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 Ba Ba0 1 2.13407803 0.00000000 1.42314067 1 Ba Ba1 1 2.13407803 0.00000000 5.31784367 1 Ba Ba2 1 0.00000000 2.13407803 10.24757210 1 Ba Ba3 1 0.00000000 2.13407803 14.14227510 1 Br Br4 1 0.00000000 2.13407803 6.61755495 1 Br Br5 1 2.13407803 0.00000000 8.94786082 1 In In6 1 0.00000000 2.13407803 3.21832607 1 In In7 1 2.13407803 0.00000000 12.34708970 1 O O8 1 0.00000000 2.13407803 1.11479477 1 O O9 1 0.00000000 0.00000000 3.59180110 1 O O10 1 2.13407803 2.13407803 3.59180110 1 O O11 1 0.00000000 0.00000000 11.97361467 1 O O12 1 2.13407803 2.13407803 11.97361467 1 O O13 1 2.13407803 0.00000000 14.45062100 1 [/CIF]
Ba4Br2In2O6
P4/nmm
129
tetragonal
4/mmm
6,059.58043
false
[CIF] data_La2AgO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12251643 _cell_length_b 7.12251643 _cell_length_c 7.12251643 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AgO4 _chemical_formula_sum 'La4 Ag2 O8' _cell_volume 255.49675070 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Ag Ag1 1 2.51818983 2.51818983 2.51818983 1 La La2 1 3.77728475 3.77728475 6.29547458 1 La La3 1 3.77728475 6.29547458 3.77728475 1 La La4 1 6.29547458 3.77728475 3.77728475 1 La La5 1 6.29547458 6.29547458 6.29547458 1 O O6 1 3.90398814 3.90398814 3.90398814 1 O O7 1 3.90398814 6.16877119 6.16877119 1 O O8 1 6.16877119 3.90398814 6.16877119 1 O O9 1 6.42217798 6.42217798 8.68696102 1 O O10 1 6.16877119 6.16877119 3.90398814 1 O O11 1 6.42217798 8.68696102 6.42217798 1 O O12 1 8.68696102 8.68696102 8.68696102 1 O O13 1 8.68696102 6.42217798 6.42217798 1 [/CIF]
Ag2La4O8
Fd-3m
227
cubic
m-3m
5,845.129483
false
[CIF] data_In2HgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00451478 _cell_length_b 5.00451478 _cell_length_c 5.00451478 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2HgPd _chemical_formula_sum 'In2 Hg1 Pd1' _cell_volume 88.62799647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76936317 1.76936317 1.76936317 1 In In1 1 5.30808951 5.30808951 5.30808951 1 In In2 1 3.53872634 3.53872634 3.53872634 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgIn2Pd
F-43m
216
cubic
-43m
10,054.629276
false
[CIF] data_La2PW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16019163 _cell_length_b 5.16019163 _cell_length_c 5.16019163 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2PW _chemical_formula_sum 'La2 P1 W1' _cell_volume 97.15887825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.47320974 5.47320974 5.47320974 1 La La1 1 1.82440325 1.82440325 1.82440325 1 P P2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.64880649 3.64880649 3.64880649 1 [/CIF]
La2PW
Fm-3m
225
cubic
m-3m
8,419.628468
false
[CIF] data_AlZnIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34643108 _cell_length_b 4.34643108 _cell_length_c 4.34643108 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnIrOs _chemical_formula_sum 'Al1 Zn1 Ir1 Os1' _cell_volume 58.06085067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.07339089 3.07339089 3.07339089 1 Os Os2 1 4.61008634 4.61008634 4.61008634 1 Zn Zn3 1 1.53669545 1.53669545 1.53669544 1 [/CIF]
AlIrOsZn
F-43m
216
cubic
-43m
13,579.513879
false
[CIF] data_TaMn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02256967 _cell_length_b 3.02256967 _cell_length_c 6.07785071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMn2Mo _chemical_formula_sum 'Ta1 Mn2 Mo1' _cell_volume 55.52680290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.51128484 1.51128484 4.56543895 1 Mn Mn1 1 1.51128484 1.51128484 1.51241176 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 3.03892536 1 [/CIF]
Mn2MoTa
P4/mmm
123
tetragonal
4/mmm
11,566.85711
false