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_LaCrCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96643619 _cell_length_b 4.96643619 _cell_length_c 4.96643619 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrCoBi _chemical_formula_sum 'La1 Cr1 Co1 Bi1' _cell_volume 86.62027986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75590036 1.75590036 1.75590035 1 Co Co1 1 5.26770106 5.26770107 5.26770107 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 3.51180071 3.51180071 3.51180071 1 [/CIF]
BiCoCrLa
F-43m
216
cubic
-43m
8,795.636623
false
[CIF] data_CuRe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71227073 _cell_length_b 2.71227073 _cell_length_c 7.61883498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRe2Ru _chemical_formula_sum 'Cu1 Re2 Ru1' _cell_volume 56.04729298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.35613537 1.35613537 1.88121157 1 Re Re2 1 1.35613537 1.35613537 5.73762341 1 Ru Ru3 1 0.00000000 0.00000000 3.80941749 1 [/CIF]
CuRe2Ru
P4/mmm
123
tetragonal
4/mmm
15,910.836144
false
[CIF] data_BeCrAgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25721792 _cell_length_b 4.25721792 _cell_length_c 4.25721792 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrAgW _chemical_formula_sum 'Be1 Cr1 Ag1 W1' _cell_volume 54.55852829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50515383 1.50515383 1.50515383 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 3.01030766 3.01030766 3.01030766 1 W W3 1 4.51546149 4.51546149 4.51546149 1 [/CIF]
AgBeCrW
F-43m
216
cubic
-43m
10,735.251044
false
[CIF] data_AcFePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91645971 _cell_length_b 4.91645971 _cell_length_c 4.91645971 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcFePt2 _chemical_formula_sum 'Ac1 Fe1 Pt2' _cell_volume 84.03156570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 3.47646200 3.47646200 3.47646200 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.73823100 1.73823100 1.73823100 1 Pt Pt3 1 5.21469300 5.21469300 5.21469300 1 [/CIF]
AcFePt2
Fm-3m
225
cubic
m-3m
13,299.340188
false
[CIF] data_Ce2DyNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36487400 _cell_length_b 5.36487400 _cell_length_c 5.36487400 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2DyNi _chemical_formula_sum 'Ce2 Dy1 Ni1' _cell_volume 109.18515198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 5.69030818 5.69030818 5.69030818 1 Ce Ce1 1 1.89676939 1.89676939 1.89676939 1 Dy Dy2 1 3.79353879 3.79353879 3.79353879 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ce2DyNi
Fm-3m
225
cubic
m-3m
7,625.912962
false
[CIF] data_YBiPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90886636 _cell_length_b 4.90886636 _cell_length_c 4.90886636 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBiPdPt _chemical_formula_sum 'Y1 Bi1 Pd1 Pt1' _cell_volume 83.64281283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 3.47109269 3.47109269 3.47109269 1 Pt Pt2 1 1.73554635 1.73554635 1.73554635 1 Bi Bi3 1 5.20663904 5.20663904 5.20663904 1 [/CIF]
BiPdPtY
F-43m
216
cubic
-43m
11,899.539154
false
[CIF] data_PmPrHo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72625819 _cell_length_b 5.72625819 _cell_length_c 5.72625819 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmPrHo2 _chemical_formula_sum 'Pm1 Pr1 Ho2' _cell_volume 132.76933529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 2.02453800 2.02453800 2.02453800 1 Ho Ho1 1 6.07361400 6.07361400 6.07361400 1 Pm Pm2 1 4.04907600 4.04907600 4.04907600 1 Pr Pr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ho2PmPr
Fm-3m
225
cubic
m-3m
7,701.381492
false
[CIF] data_YPdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23629331 _cell_length_b 5.23629331 _cell_length_c 5.23629331 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPdPb2 _chemical_formula_sum 'Y1 Pd1 Pb2' _cell_volume 101.52123666 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85130926 1.85130926 1.85130926 1 Pb Pb1 1 3.70261851 3.70261851 3.70261851 1 Pd Pd2 1 5.55392777 5.55392777 5.55392777 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2PdY
F-43m
216
cubic
-43m
9,973.022661
false
[CIF] data_TlPBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44892469 _cell_length_b 5.44892469 _cell_length_c 5.44892469 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlPBr2 _chemical_formula_sum 'Tl1 P1 Br2' _cell_volume 114.39773328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.77945740 5.77945740 5.77945740 1 Br Br1 1 1.92648580 1.92648580 1.92648580 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.85297160 3.85297160 3.85297160 1 [/CIF]
Br2PTl
Fm-3m
225
cubic
m-3m
5,736.014206
false
[CIF] data_FeSnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48991876 _cell_length_b 4.48991876 _cell_length_c 4.48991876 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSnW2 _chemical_formula_sum 'Fe1 Sn1 W2' _cell_volume 64.00301757 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.17485200 3.17485200 3.17485200 1 W W2 1 4.76227800 4.76227800 4.76227800 1 W W3 1 1.58742600 1.58742600 1.58742600 1 [/CIF]
FeSnW2
Fm-3m
225
cubic
m-3m
14,068.124206
false
[CIF] data_NaCd2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88571872 _cell_length_b 4.88571872 _cell_length_c 3.09128267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCd2Os _chemical_formula_sum 'Na1 Cd2 Os1' _cell_volume 73.78968215 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.44285936 0.00000000 1.54564134 1 Cd Cd1 1 0.00000000 2.44285936 1.54564134 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.44285936 2.44285936 0.00000000 1 [/CIF]
Cd2NaOs
P4/mmm
123
tetragonal
4/mmm
9,857.549862
false
[CIF] data_ZnCdSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84393959 _cell_length_b 4.84393959 _cell_length_c 4.84393959 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCdSb _chemical_formula_sum 'Zn1 Cd1 Sb1' _cell_volume 80.36762908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42518253 3.42518253 3.42518253 1 Sb Sb1 1 1.71259127 1.71259127 1.71259127 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdSbZn
F-43m
216
cubic
-43m
6,189.259826
false
[CIF] data_NaBi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46791029 _cell_length_b 5.79830139 _cell_length_c 4.67567319 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.75175152 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBi2Se _chemical_formula_sum 'Na1 Bi2 Se1' _cell_volume 120.98967591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.17551168 2.89915069 1.31445841 1 Bi Bi1 1 1.06792579 2.89915069 3.35582335 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 2.12171874 0.00000000 2.33514088 1 [/CIF]
Bi2NaSe
P2/m
10
monoclinic
2/m
7,135.582478
false
[CIF] data_TlCoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40284687 _cell_length_b 4.40284687 _cell_length_c 4.40284687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCoSi _chemical_formula_sum 'Tl1 Co1 Si1' _cell_volume 60.35117724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11328288 3.11328288 3.11328288 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 4.66992432 4.66992432 4.66992432 1 [/CIF]
CoSiTl
F-43m
216
cubic
-43m
8,017.812062
false
[CIF] data_DyMgNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55106423 _cell_length_b 4.55106423 _cell_length_c 4.55106423 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyMgNi2 _chemical_formula_sum 'Dy1 Mg1 Ni2' _cell_volume 66.65364376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21808838 3.21808838 3.21808838 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.60904419 1.60904419 1.60904419 1 Ni Ni3 1 4.82713257 4.82713257 4.82713257 1 [/CIF]
DyMgNi2
Fm-3m
225
cubic
m-3m
7,578.315891
false
[CIF] data_PRu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82123259 _cell_length_b 2.82123259 _cell_length_c 7.06946936 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PRu2Pt _chemical_formula_sum 'P1 Ru2 Pt1' _cell_volume 56.26840447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38589082 1 Pt Pt1 1 1.41061630 1.41061630 5.18794515 1 Ru Ru2 1 0.00000000 0.00000000 0.08158083 1 Ru Ru3 1 1.41061630 1.41061630 1.94878724 1 [/CIF]
PPtRu2
P4mm
99
tetragonal
4mm
12,636.560761
false
[CIF] data_TaNi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48352365 _cell_length_b 4.48352365 _cell_length_c 4.48352365 _cell_angle_alpha 134.39057973 _cell_angle_beta 124.52581665 _cell_angle_gamma 74.55439692 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNi2P _chemical_formula_sum 'Ta1 Ni2 P1' _cell_volume 51.74760965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 7.06321684 1 Ni Ni1 1 -0.00000000 2.08669973 1.46316669 1 P P2 1 -0.00000000 0.00000000 3.75427550 1 Ta Ta3 1 1.73777507 0.00000000 1.98976148 1 [/CIF]
Ni2PTa
Imm2
44
orthorhombic
mm2
10,567.242363
false
[CIF] data_LiSc2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39625976 _cell_length_b 3.39625976 _cell_length_c 7.45754865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSc2Cd _chemical_formula_sum 'Li1 Sc2 Cd1' _cell_volume 86.01969417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69812988 1.69812988 3.91826497 1 Li Li1 1 0.00000000 0.00000000 5.36962848 1 Sc Sc2 1 1.69812988 1.69812988 7.40043442 1 Sc Sc3 1 0.00000000 0.00000000 1.95554376 1 [/CIF]
CdLiSc2
P4mm
99
tetragonal
4mm
4,039.665083
false
[CIF] data_TiCd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97438967 _cell_length_b 5.97438967 _cell_length_c 5.97438967 _cell_angle_alpha 145.03289478 _cell_angle_beta 131.24103645 _cell_angle_gamma 61.39885530 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCd2Pb _chemical_formula_sum 'Ti1 Cd2 Pb1' _cell_volume 90.95573503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 2.46609828 4.98755967 1 Cd Cd1 1 0.00000000 -0.00000000 2.49476015 1 Pb Pb2 1 0.00000000 2.46609828 0.16308270 1 Ti Ti3 1 0.00000000 -0.00000000 7.76596648 1 [/CIF]
Cd2PbTi
Imm2
44
orthorhombic
mm2
8,761.12355
false
[CIF] data_Ca2LaMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67943607 _cell_length_b 6.67943607 _cell_length_c 5.97415281 _cell_angle_alpha 114.87762564 _cell_angle_beta 114.87762564 _cell_angle_gamma 32.62175385 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2LaMn _chemical_formula_sum 'Ca2 La1 Mn1' _cell_volume 129.14844125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.51594555 0.00000000 0.07916820 1 Ca Ca1 1 1.25099178 0.00000000 4.04473814 1 La La2 1 4.67769410 -0.00000000 2.27355736 1 Mn Mn3 1 8.85926006 0.00000000 1.65704527 1 [/CIF]
Ca2LaMn
Cm
8
monoclinic
m
3,522.976309
false
[CIF] data_KTaV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85553630 _cell_length_b 6.85553630 _cell_length_c 6.85553630 _cell_angle_alpha 151.64063066 _cell_angle_beta 151.64063066 _cell_angle_gamma 40.53833477 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaV _chemical_formula_sum 'K1 Ta1 V1' _cell_volume 72.54797951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.83662014 1 Ta Ta1 1 0.00000000 0.00000000 9.19656974 1 V V2 1 -0.00000000 0.00000000 3.69085255 1 [/CIF]
KTaV
I4mm
107
tetragonal
4mm
6,202.593542
false
[CIF] data_BaHgMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00861453 _cell_length_b 5.00861453 _cell_length_c 5.00861453 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHgMoRh _chemical_formula_sum 'Ba1 Hg1 Mo1 Rh1' _cell_volume 88.84598977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.31243795 5.31243795 5.31243795 1 Hg Hg1 1 1.77081265 1.77081265 1.77081265 1 Mo Mo2 1 0.00000000 -0.00000000 0.00000000 1 Rh Rh3 1 3.54162530 3.54162530 3.54162530 1 [/CIF]
BaHgMoRh
F-43m
216
cubic
-43m
10,032.510345
false
[CIF] data_BeCoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59108643 _cell_length_b 3.59108643 _cell_length_c 3.59108643 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoCu _chemical_formula_sum 'Be1 Co1 Cu1' _cell_volume 32.74632573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 3.80892235 3.80892235 3.80892235 1 Cu Cu2 1 1.26964078 1.26964078 1.26964078 1 [/CIF]
BeCoCu
F-43m
216
cubic
-43m
6,667.818865
false
[CIF] data_TlNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43580412 _cell_length_b 8.43580412 _cell_length_c 8.43580412 _cell_angle_alpha 20.07644202 _cell_angle_beta 20.07644202 _cell_angle_gamma 20.07644202 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNi2Pt _chemical_formula_sum 'Tl1 Ni2 Pt1' _cell_volume 61.88857816 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 -0.00000000 -0.00000000 6.26501435 1 Ni Ni1 1 -0.00000000 -0.00000000 18.52450119 1 Pt Pt2 1 -0.00000000 -0.00000000 -0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 12.39475777 1 [/CIF]
Ni2PtTl
R-3m
166
trigonal
-3m
13,867.767686
false
[CIF] data_LiCdReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47429926 _cell_length_b 4.47429926 _cell_length_c 4.47429926 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdReMo _chemical_formula_sum 'Li1 Cd1 Re1 Mo1' _cell_volume 63.33737900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.74571103 4.74571103 4.74571103 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.58190368 1.58190368 1.58190367 1 Re Re3 1 3.16380735 3.16380735 3.16380735 1 [/CIF]
CdLiMoRe
F-43m
216
cubic
-43m
10,526.769437
false
[CIF] data_KAl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29444835 _cell_length_b 3.29444835 _cell_length_c 8.67578979 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2Au _chemical_formula_sum 'K1 Al2 Au1' _cell_volume 94.16172955 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64722418 1.64722418 2.82727054 1 Al Al1 1 1.64722418 1.64722418 5.84851925 1 Au Au2 1 0.00000000 0.00000000 4.33789489 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2AuK
P4/mmm
123
tetragonal
4/mmm
5,114.633486
false
[CIF] data_SrZrB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55093383 _cell_length_b 4.55093383 _cell_length_c 4.55093383 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrB2 _chemical_formula_sum 'Sr1 Zr1 B2' _cell_volume 66.64791443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60899808 1.60899808 1.60899808 1 B B1 1 4.82699425 4.82699425 4.82699425 1 Sr Sr2 1 -0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 3.21799617 3.21799617 3.21799617 1 [/CIF]
B2SrZr
Fm-3m
225
cubic
m-3m
4,994.629275
false
[CIF] data_BePdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47964688 _cell_length_b 3.47964688 _cell_length_c 6.93254776 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.17808816 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePdPb2 _chemical_formula_sum 'Be1 Pd1 Pb2' _cell_volume 83.92114584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.43505670 0.00000000 1.70966098 1 Pb Pb2 1 2.43505670 0.00000000 5.22288678 1 Pd Pd3 1 0.00000000 0.00000000 3.46627388 1 [/CIF]
BePb2Pd
Cmmm
65
orthorhombic
mmm
10,483.734798
false
[CIF] data_MnZnReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28924177 _cell_length_b 4.28924177 _cell_length_c 4.28924177 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZnReMo _chemical_formula_sum 'Mn1 Zn1 Re1 Mo1' _cell_volume 55.79902127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.54942791 4.54942791 4.54942791 1 Re Re2 1 1.51647597 1.51647597 1.51647597 1 Zn Zn3 1 3.03295194 3.03295194 3.03295194 1 [/CIF]
MnMoReZn
F-43m
216
cubic
-43m
11,977.667812
false
[CIF] data_LiLaRePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76536071 _cell_length_b 4.76536071 _cell_length_c 4.76536071 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaRePd _chemical_formula_sum 'Li1 La1 Re1 Pd1' _cell_volume 76.51953821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36961887 3.36961887 3.36961887 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 5.05442831 5.05442831 5.05442831 1 Re Re3 1 1.68480944 1.68480944 1.68480944 1 [/CIF]
LaLiPdRe
F-43m
216
cubic
-43m
9,515.247265
false
[CIF] data_BP2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02924180 _cell_length_b 4.02924180 _cell_length_c 5.05106020 _cell_angle_alpha 106.44021174 _cell_angle_beta 106.44021174 _cell_angle_gamma 47.80633772 _symmetry_Int_Tables_number 1 _chemical_formula_structural BP2Ir _chemical_formula_sum 'B1 P2 Ir1' _cell_volume 57.76985321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.76054176 -0.00000000 1.94154572 1 Ir Ir1 1 4.85660857 -0.00000000 1.52798260 1 P P2 1 6.99171730 -0.00000000 0.43361776 1 P P3 1 1.46398026 0.00000000 3.30126756 1 [/CIF]
BIrP2
Cm
8
monoclinic
m
7,616.467497
false
[CIF] data_Hf2NbCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35657234 _cell_length_b 4.47692397 _cell_length_c 4.93499541 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2NbCu _chemical_formula_sum 'Hf2 Nb1 Cu1' _cell_volume 74.15876411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 2.23846198 2.46749771 1 Hf Hf2 1 1.67828617 2.23846198 0.00000000 1 Nb Nb3 1 1.67828617 0.00000000 2.46749771 1 [/CIF]
CuHf2Nb
Pmmm
47
orthorhombic
mmm
11,496.611834
false
[CIF] data_FeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97052650 _cell_length_b 5.97052650 _cell_length_c 3.98139128 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 153.46691508 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAu _chemical_formula_sum 'Fe2 Au2' _cell_volume 63.40013484 _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 Au Au0 1 1.37012487 -0.99788394 2.98604346 1 Au Au1 1 1.37012487 0.99788394 0.99534782 1 Fe Fe2 1 1.37012487 -3.64674384 2.98604346 1 Fe Fe3 1 1.37012487 3.64674384 0.99534782 1 [/CIF]
Au2Fe2
Cmcm
63
orthorhombic
mmm
13,242.984037
false
[CIF] data_KCuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20008057 _cell_length_b 6.20008057 _cell_length_c 6.20008057 _cell_angle_alpha 147.60821883 _cell_angle_beta 147.60821883 _cell_angle_gamma 46.46405123 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuPt _chemical_formula_sum 'K1 Cu1 Pt1' _cell_volume 68.15435155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.67440288 1 K K1 1 0.00000000 0.00000000 7.63311060 1 Pt Pt2 1 0.00000000 -0.00000000 4.48187457 1 [/CIF]
CuKPt
I4mm
107
tetragonal
4mm
7,253.967826
false
[CIF] data_TaAlIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61294128 _cell_length_b 4.61294128 _cell_length_c 2.90898866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlIr2 _chemical_formula_sum 'Ta1 Al1 Ir2' _cell_volume 61.90103077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.30647064 1.45449433 1 Ir Ir2 1 2.30647064 0.00000000 1.45449433 1 Ta Ta3 1 2.30647064 2.30647064 0.00000000 1 [/CIF]
AlIr2Ta
P4/mmm
123
tetragonal
4/mmm
15,890.568961
false
[CIF] data_NbRe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72118550 _cell_length_b 4.73578222 _cell_length_c 4.98814484 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.10220607 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRe2Pt _chemical_formula_sum 'Nb1 Re2 Pt1' _cell_volume 64.18773313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 1.22562038 0.00000000 2.49041757 1 Re Re2 1 0.63969419 2.36789111 3.75169075 1 Re Re3 1 1.81154658 2.36789111 1.22914440 1 [/CIF]
NbPtRe2
P2/m
10
monoclinic
2/m
17,084.686111
false
[CIF] data_SrAgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52821705 _cell_length_b 6.52821705 _cell_length_c 6.52821705 _cell_angle_alpha 152.74701224 _cell_angle_beta 146.43086615 _cell_angle_gamma 43.76254768 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAgMo _chemical_formula_sum 'Sr1 Ag1 Mo1' _cell_volume 70.25702622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.35689994 1 Mo Mo1 1 0.00000000 -0.00000000 7.72427463 1 Sr Sr2 1 0.00000000 0.00000000 4.03464944 1 [/CIF]
AgMoSr
Imm2
44
orthorhombic
mm2
6,888.437328
false
[CIF] data_HfMgMnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64059935 _cell_length_b 4.64059935 _cell_length_c 4.64059935 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgMnHg _chemical_formula_sum 'Hf1 Mg1 Mn1 Hg1' _cell_volume 70.66546598 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.92209891 4.92209891 4.92209891 1 Hg Hg1 1 1.64069964 1.64069964 1.64069964 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 3.28139927 3.28139927 3.28139927 1 [/CIF]
HfHgMgMn
F-43m
216
cubic
-43m
10,769.946972
false
[CIF] data_CaTa2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11826851 _cell_length_b 3.11826851 _cell_length_c 8.44042182 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa2Ir _chemical_formula_sum 'Ca1 Ta2 Ir1' _cell_volume 82.07127269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 4.50078117 1 Ir Ir1 1 1.55913425 1.55913425 6.71312427 1 Ta Ta2 1 0.00000000 0.00000000 8.19559793 1 Ta Ta3 1 1.55913425 1.55913425 1.69155118 1 [/CIF]
CaIrTa2
P4mm
99
tetragonal
4mm
12,022.202683
false
[CIF] data_TiGa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24664018 _cell_length_b 4.84180282 _cell_length_c 5.02945004 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.57487506 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGa2Br _chemical_formula_sum 'Ti1 Ga2 Br1' _cell_volume 78.90706119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.15680031 0.00000000 2.50983178 1 Ga Ga1 1 1.58968810 2.42090141 3.81529468 1 Ga Ga2 1 1.34335145 2.42090141 1.20436888 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrGa2Ti
P2/m
10
monoclinic
2/m
5,623.378454
false
[CIF] data_Tl2BrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99166839 _cell_length_b 6.99166839 _cell_length_c 6.99166839 _cell_angle_alpha 141.59275068 _cell_angle_beta 141.59275068 _cell_angle_gamma 55.44272917 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2BrCl _chemical_formula_sum 'Tl2 Br1 Cl1' _cell_volume 130.93363483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29974424 3.09458316 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 2.29974424 -0.00000000 3.09458316 1 Tl Tl3 1 0.00000000 -0.00000000 6.18916632 1 [/CIF]
BrClTl2
I-4m2
119
tetragonal
-42m
6,647.090449
false
[CIF] data_CdNiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38181244 _cell_length_b 4.38181244 _cell_length_c 4.38181244 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNiOs2 _chemical_formula_sum 'Cd1 Ni1 Os2' _cell_volume 59.49032672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54920465 1.54920464 1.54920464 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.64761393 4.64761394 4.64761394 1 Os Os3 1 3.09840929 3.09840929 3.09840929 1 [/CIF]
CdNiOs2
F-43m
216
cubic
-43m
15,395.683374
false
[CIF] data_CoSbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77948876 _cell_length_b 4.77948876 _cell_length_c 4.77948876 _cell_angle_alpha 129.88064117 _cell_angle_beta 129.88064117 _cell_angle_gamma 73.59765152 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSbPt2 _chemical_formula_sum 'Co1 Sb1 Pt2' _cell_volume 62.73817746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 2.02441003 -0.00000000 1.91357263 1 Pt Pt2 1 0.00000000 -0.00000000 3.82714526 1 Sb Sb3 1 -0.00000000 2.02441003 1.91357263 1 [/CIF]
CoPt2Sb
I-4m2
119
tetragonal
-42m
15,109.417491
false
[CIF] data_ZnP4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82607095 _cell_length_b 7.71256242 _cell_length_c 6.15558374 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.39868452 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnP4W _chemical_formula_sum 'Zn2 P8 W2' _cell_volume 228.44441337 _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 P P0 1 3.52605461 0.32653038 3.35767877 1 P P1 1 0.59185210 0.32653038 5.84850006 1 P P2 1 0.82790685 7.38603204 2.77977378 1 P P3 1 3.76210936 7.38603204 0.28895249 1 P P4 1 3.69500136 4.88800418 3.81390587 1 P P5 1 0.42290536 4.88800418 5.39227295 1 P P6 1 0.65896010 2.82455824 2.32354668 1 P P7 1 3.93105610 2.82455824 0.74517960 1 W W8 1 2.05895336 6.41192299 4.60308941 1 W W9 1 2.29500810 1.30063943 1.53436314 1 Zn Zn10 1 -0.35408212 2.43986210 4.60308941 1 Zn Zn11 1 -0.11802737 5.27270032 1.53436314 1 [/CIF]
P8W2Zn2
P2/c
13
monoclinic
2/m
5,424.270214
false
[CIF] data_CrCo2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20924309 _cell_length_b 3.20924309 _cell_length_c 5.38427653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2Te _chemical_formula_sum 'Cr1 Co2 Te1' _cell_volume 55.45396273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60462155 1.60462155 4.16901597 1 Co Co1 1 1.60462155 1.60462155 1.21526056 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 2.69213827 1 [/CIF]
Co2CrTe
P4/mmm
123
tetragonal
4/mmm
8,907.354158
false
[CIF] data_CaNiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84054318 _cell_length_b 4.67443051 _cell_length_c 4.72704287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNiIr2 _chemical_formula_sum 'Ca1 Ni1 Ir2' _cell_volume 62.76530513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 2.33721525 2.36352144 1 Ir Ir2 1 1.42027159 0.00000000 2.36352144 1 Ni Ni3 1 1.42027159 2.33721525 0.00000000 1 [/CIF]
CaIr2Ni
Pmmm
47
orthorhombic
mmm
12,783.837221
false
[CIF] data_LaCrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02152148 _cell_length_b 3.02152148 _cell_length_c 7.55902812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrRh2 _chemical_formula_sum 'La1 Cr1 Rh2' _cell_volume 69.01084306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 3.77951406 1 Rh Rh2 1 1.51076074 1.51076074 6.11239213 1 Rh Rh3 1 1.51076074 1.51076074 1.44663599 1 [/CIF]
CrLaRh2
P4/mmm
123
tetragonal
4/mmm
9,545.698784
false
[CIF] data_CaMgMnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73118418 _cell_length_b 4.73118418 _cell_length_c 4.73118418 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgMnNi _chemical_formula_sum 'Ca1 Mg1 Mn1 Ni1' _cell_volume 74.88495419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67272621 1.67272621 1.67272621 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 5.01817863 5.01817863 5.01817863 1 Ni Ni3 1 3.34545242 3.34545242 3.34545242 1 [/CIF]
CaMgMnNi
F-43m
216
cubic
-43m
3,947.38761
false
[CIF] data_Mg2NiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02770305 _cell_length_b 3.02770305 _cell_length_c 6.87292455 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2NiP _chemical_formula_sum 'Mg2 Ni1 P1' _cell_volume 63.00400147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.51385152 1.51385152 1.84319101 1 Mg Mg1 1 1.51385152 1.51385152 5.02973354 1 Ni Ni2 1 0.00000000 0.00000000 3.43646227 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2NiP
P4/mmm
123
tetragonal
4/mmm
3,644.445181
false
[CIF] data_BaHf2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71061560 _cell_length_b 3.71061560 _cell_length_c 8.05254910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHf2Ta _chemical_formula_sum 'Ba1 Hf2 Ta1' _cell_volume 110.87287617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.86494932 1 Hf Hf1 1 1.85530780 1.85530780 0.60902967 1 Hf Hf2 1 0.00000000 0.00000000 2.21352891 1 Ta Ta3 1 1.85530780 1.85530780 3.39131583 1 [/CIF]
BaHf2Ta
P4mm
99
tetragonal
4mm
10,113.267978
false
[CIF] data_InCoWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52630076 _cell_length_b 4.52630076 _cell_length_c 4.52630076 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCoWAu _chemical_formula_sum 'In1 Co1 W1 Au1' _cell_volume 65.57151628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.20057796 3.20057796 3.20057796 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 4.80086694 4.80086694 4.80086694 1 W W3 1 1.60028898 1.60028898 1.60028898 1 [/CIF]
AuCoInW
F-43m
216
cubic
-43m
14,043.671461
false
[CIF] data_K4LaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81242467 _cell_length_b 6.81242467 _cell_length_c 6.81242467 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4LaIr _chemical_formula_sum 'K4 La1 Ir1' _cell_volume 223.55796158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40855584 2.40855584 2.40855584 1 K K1 1 3.64841099 3.64841099 5.98581237 1 K K2 1 3.64841099 5.98581237 3.64841099 1 K K3 1 5.98581237 3.64841099 3.64841099 1 K K4 1 5.98581237 5.98581237 5.98581237 1 La La5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrK4La
F-43m
216
cubic
-43m
3,621.158513
false
[CIF] data_KMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61880563 _cell_length_b 3.61880563 _cell_length_c 8.33710358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnSb2 _chemical_formula_sum 'K1 Mn1 Sb2' _cell_volume 109.18065929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.13361816 1 Mn Mn1 1 1.80940282 1.80940282 7.40641261 1 Sb Sb2 1 0.00000000 0.00000000 7.65695658 1 Sb Sb3 1 1.80940282 1.80940282 1.64577159 1 [/CIF]
KMnSb2
P4mm
99
tetragonal
4mm
5,133.943781
false
[CIF] data_GaHg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73122872 _cell_length_b 5.73122872 _cell_length_c 5.73122872 _cell_angle_alpha 131.65544141 _cell_angle_beta 131.65544141 _cell_angle_gamma 70.77376714 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaHg2Pb _chemical_formula_sum 'Ga1 Hg2 Pb1' _cell_volume 102.93629179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.34683320 -0.00000000 2.33622187 1 Hg Hg2 1 0.00000000 2.34683320 2.33622187 1 Pb Pb3 1 0.00000000 -0.00000000 4.67244374 1 [/CIF]
GaHg2Pb
I4/mmm
139
tetragonal
4/mmm
10,938.965288
false
[CIF] data_Ti2CdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95686803 _cell_length_b 2.95686803 _cell_length_c 8.66038158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CdIn _chemical_formula_sum 'Ti2 Cd1 In1' _cell_volume 75.71830959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 0.00000000 0.00000000 4.33019079 1 Ti Ti2 1 1.47843401 1.47843401 6.48814267 1 Ti Ti3 1 1.47843401 1.47843401 2.17223891 1 [/CIF]
CdInTi2
P4/mmm
123
tetragonal
4/mmm
7,082.789207
false
[CIF] data_BaNaTaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43508117 _cell_length_b 5.43508117 _cell_length_c 5.43508117 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaTaSn _chemical_formula_sum 'Ba1 Na1 Ta1 Sn1' _cell_volume 113.52803081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.92159138 1.92159138 1.92159138 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.84318275 3.84318275 3.84318275 1 Ta Ta3 1 5.76477412 5.76477413 5.76477412 1 [/CIF]
BaNaSnTa
F-43m
216
cubic
-43m
6,727.905605
false
[CIF] data_HfCdAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66690688 _cell_length_b 4.66690688 _cell_length_c 4.66690688 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdAgOs _chemical_formula_sum 'Hf1 Cd1 Ag1 Os1' _cell_volume 71.87409801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.30000150 3.30000150 3.30000150 1 Hf Hf2 1 1.65000075 1.65000075 1.65000075 1 Os Os3 1 4.95000225 4.95000225 4.95000225 1 [/CIF]
AgCdHfOs
F-43m
216
cubic
-43m
13,607.908953
false
[CIF] data_ZrSnP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26857582 _cell_length_b 5.26857582 _cell_length_c 5.26857582 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSnP4 _chemical_formula_sum 'Zr1 Sn1 P4' _cell_volume 103.41051605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68552911 4.68552911 2.76536227 1 P P1 1 4.68552911 2.76536227 4.68552911 1 P P2 1 2.76536227 4.68552911 4.68552911 1 P P3 1 2.76536227 2.76536227 2.76536227 1 Sn Sn4 1 5.58816854 5.58816854 5.58816854 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P4SnZr
F-43m
216
cubic
-43m
5,360.539691
false
[CIF] data_VInTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22620587 _cell_length_b 5.22620587 _cell_length_c 5.22620587 _cell_angle_alpha 144.60233905 _cell_angle_beta 129.97873027 _cell_angle_gamma 62.76413150 _symmetry_Int_Tables_number 1 _chemical_formula_structural VInTc2 _chemical_formula_sum 'V1 In1 Tc2' _cell_volume 62.65359196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58883774 -0.00000000 2.26246075 1 Tc Tc1 1 -0.00000000 0.00000000 8.81111703 1 Tc Tc2 1 -0.00000000 2.20956917 2.16097421 1 V V3 1 0.00000000 0.00000000 4.61218509 1 [/CIF]
InTc2V
Imm2
44
orthorhombic
mm2
9,635.925484
false
[CIF] data_KEu(CuTe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40555100 _cell_length_b 4.40555100 _cell_length_c 11.38885900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KEu(CuTe2)2 _chemical_formula_sum 'K1 Eu1 Cu2 Te4' _cell_volume 221.04499327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20277550 2.66571005 1 Cu Cu1 1 2.20277550 0.00000000 2.66571005 1 Eu Eu2 1 2.20277550 2.20277550 0.01383997 1 K K3 1 0.00000000 0.00000000 5.80591014 1 Te Te4 1 0.00000000 0.00000000 1.03758006 1 Te Te5 1 2.20277550 2.20277550 4.12323003 1 Te Te6 1 0.00000000 2.20277550 8.79746012 1 Te Te7 1 2.20277550 0.00000000 8.79746012 1 [/CIF]
Cu2EuKTe4
P4mm
99
tetragonal
4mm
6,224.28386
false
[CIF] data_MnRe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24991734 _cell_length_b 9.24991734 _cell_length_c 9.24991734 _cell_angle_alpha 17.02120230 _cell_angle_beta 17.02120230 _cell_angle_gamma 17.02120230 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRe2Au _chemical_formula_sum 'Mn1 Re2 Au1' _cell_volume 59.16261656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 0.00000000 13.67078560 1 Mn Mn1 1 -0.00000000 0.00000000 -0.00000000 1 Re Re2 1 0.00000000 -0.00000000 7.07297109 1 Re Re3 1 0.00000000 -0.00000000 20.26860011 1 [/CIF]
AuMnRe2
R-3m
166
trigonal
-3m
17,522.981741
false
[CIF] data_Be2ZnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72166296 _cell_length_b 4.72166296 _cell_length_c 4.72166296 _cell_angle_alpha 138.67090020 _cell_angle_beta 138.67090020 _cell_angle_gamma 59.87702190 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2ZnRe _chemical_formula_sum 'Be2 Zn1 Re1' _cell_volume 45.43994484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66625596 2.04580567 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.66625596 0.00000000 2.04580567 1 Zn Zn3 1 0.00000000 0.00000000 4.09161133 1 [/CIF]
Be2ReZn
I-4m2
119
tetragonal
-42m
9,852.569237
false
[CIF] data_NaPbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22508658 _cell_length_b 5.22508658 _cell_length_c 5.22508658 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPbBr _chemical_formula_sum 'Na1 Pb1 Br1' _cell_volume 100.87080216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.84734708 1.84734708 1.84734708 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.54204123 5.54204123 5.54204123 1 [/CIF]
BrNaPb
F-43m
216
cubic
-43m
5,104.775685
false
[CIF] data_ScSiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53096759 _cell_length_b 5.53096759 _cell_length_c 5.53096759 _cell_angle_alpha 145.31870137 _cell_angle_beta 139.95148767 _cell_angle_gamma 53.99684990 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSiSn _chemical_formula_sum 'Sc1 Si1 Sn1' _cell_volume 61.54589376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.16507440 1 Si Si1 1 -0.00000000 -0.00000000 6.45304463 1 Sn Sn2 1 -0.00000000 0.00000000 3.23827543 1 [/CIF]
ScSiSn
Imm2
44
orthorhombic
mm2
5,173.549221
false
[CIF] data_PmW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66660677 _cell_length_b 4.66660677 _cell_length_c 4.66660677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmW _chemical_formula_sum 'Pm1 W1' _cell_volume 71.86023309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pm Pm0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 4.94968394 4.94968394 4.94968394 1 [/CIF]
PmW
F-43m
216
cubic
-43m
7,598.801774
false
[CIF] data_La2TlGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39675645 _cell_length_b 6.39675645 _cell_length_c 6.39675645 _cell_angle_alpha 141.45478008 _cell_angle_beta 134.82571332 _cell_angle_gamma 60.85187115 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TlGe _chemical_formula_sum 'La2 Tl1 Ge1' _cell_volume 114.45058363 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 8.01015339 1 La La1 1 0.00000000 2.45691837 5.36442826 1 La La2 1 -0.00000000 -0.00000000 2.81033751 1 Tl Tl3 1 -0.00000000 2.45691837 0.36255302 1 [/CIF]
GeLa2Tl
Imm2
44
orthorhombic
mm2
8,049.971453
false
[CIF] data_LuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97426729 _cell_length_b 3.97426729 _cell_length_c 3.97426729 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuSe _chemical_formula_sum 'Lu1 Se1' _cell_volume 44.38704348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 2.81023135 2.81023135 2.81023135 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LuSe
Fm-3m
225
cubic
m-3m
9,499.514687
false
[CIF] data_Li2ZrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38673433 _cell_length_b 3.38673433 _cell_length_c 5.36865971 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZrRh _chemical_formula_sum 'Li2 Zr1 Rh1' _cell_volume 61.57836271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69336716 1.69336716 1.57893399 1 Li Li1 1 1.69336716 1.69336716 3.78972572 1 Rh Rh2 1 0.00000000 0.00000000 2.68432986 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2RhZr
P4/mmm
123
tetragonal
4/mmm
5,609.295325
false
[CIF] data_TaZnSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66188551 _cell_length_b 4.66188551 _cell_length_c 4.66188551 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnSnPd _chemical_formula_sum 'Ta1 Zn1 Sn1 Pd1' _cell_volume 71.64234851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.64822543 1.64822543 1.64822543 1 Sn Sn1 1 4.94467629 4.94467629 4.94467629 1 Ta Ta2 1 3.29645086 3.29645086 3.29645086 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdSnTaZn
F-43m
216
cubic
-43m
10,927.534402
false
[CIF] data_Ba2CoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39953509 _cell_length_b 5.39953509 _cell_length_c 5.39953509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CoOs _chemical_formula_sum 'Ba2 Co1 Os1' _cell_volume 111.31510663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.72707182 5.72707182 5.72707182 1 Ba Ba1 1 1.90902394 1.90902394 1.90902394 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 3.81804788 3.81804788 3.81804788 1 [/CIF]
Ba2CoOs
Fm-3m
225
cubic
m-3m
7,814.024011
false
[CIF] data_Na4CuSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95247790 _cell_length_b 5.95247790 _cell_length_c 5.95247790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4CuSb _chemical_formula_sum 'Na4 Cu1 Sb1' _cell_volume 149.13458766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 5.25881650 5.25881650 3.15925848 1 Na Na2 1 5.25881650 3.15925848 5.25881650 1 Na Na3 1 3.15925848 5.25881650 5.25881650 1 Na Na4 1 3.15925848 3.15925848 3.15925848 1 Sb Sb5 1 6.31355624 6.31355624 6.31355624 1 [/CIF]
CuNa4Sb
F-43m
216
cubic
-43m
3,087.208002
false
[CIF] data_GaMoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79552981 _cell_length_b 4.79552981 _cell_length_c 4.79552981 _cell_angle_alpha 126.67860426 _cell_angle_beta 126.67860426 _cell_angle_gamma 78.77563977 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMoAu2 _chemical_formula_sum 'Ga1 Mo1 Au2' _cell_volume 68.64348004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.70631388 1 Au Au1 1 -0.00000000 2.15178340 1.85315694 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 2.15178340 -0.00000000 1.85315694 1 [/CIF]
Au2GaMo
I-4m2
119
tetragonal
-42m
13,537.548779
false
[CIF] data_NiTe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73304258 _cell_length_b 4.73304258 _cell_length_c 3.24166314 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiTe2Os _chemical_formula_sum 'Ni1 Te2 Os1' _cell_volume 72.61873929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 2.36652129 2.36652129 0.00000000 1 Te Te2 1 2.36652129 0.00000000 1.62083157 1 Te Te3 1 0.00000000 2.36652129 1.62083157 1 [/CIF]
NiOsTe2
P4/mmm
123
tetragonal
4/mmm
11,527.688016
false
[CIF] data_TaBiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05248771 _cell_length_b 5.05248771 _cell_length_c 5.05248771 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBiBr2 _chemical_formula_sum 'Ta1 Bi1 Br2' _cell_volume 91.20125171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.57264832 3.57264832 3.57264832 1 Br Br1 1 5.35897248 5.35897248 5.35897248 1 Br Br2 1 1.78632416 1.78632416 1.78632416 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiBr2Ta
Fm-3m
225
cubic
m-3m
10,009.27676
false
[CIF] data_Cr2CdBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44457908 _cell_length_b 4.16768665 _cell_length_c 6.04948626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2CdBi _chemical_formula_sum 'Cr2 Cd1 Bi1' _cell_volume 86.84597858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72228954 2.08384333 2.79711403 1 Cd Cd1 1 0.00000000 0.00000000 4.80932313 1 Cr Cr2 1 1.72228954 2.08384333 5.93708977 1 Cr Cr3 1 0.00000000 0.00000000 1.58018873 1 [/CIF]
BiCdCr2
Pmm2
25
orthorhombic
mm2
8,133.549735
false
[CIF] data_LiBeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80157508 _cell_length_b 3.80157508 _cell_length_c 3.47538971 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeP2 _chemical_formula_sum 'Li1 Be1 P2' _cell_volume 50.22623856 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90078754 1.90078754 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 0.00000000 1.90078754 1.73769486 1 P P3 1 1.90078754 0.00000000 1.73769486 1 [/CIF]
BeLiP2
P4/mmm
123
tetragonal
4/mmm
2,575.48981
false
[CIF] data_LiMnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02609384 _cell_length_b 4.02609384 _cell_length_c 2.58969966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnRh _chemical_formula_sum 'Li1 Mn1 Rh1' _cell_volume 36.35363288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02282833 1 Mn Mn1 1 0.00000000 2.32446636 0.84622616 1 Rh Rh2 1 2.01304692 1.16223318 1.72064517 1 [/CIF]
LiMnRh
P3m1
156
trigonal
3m
7,526.927922
false
[CIF] data_NaGaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28043901 _cell_length_b 5.28043901 _cell_length_c 5.28043901 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGaSb2 _chemical_formula_sum 'Na1 Ga1 Sb2' _cell_volume 104.11063468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.60075135 5.60075135 5.60075134 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.86691711 1.86691712 1.86691711 1 Sb Sb3 1 3.73383423 3.73383423 3.73383423 1 [/CIF]
GaNaSb2
F-43m
216
cubic
-43m
5,362.830133
false
[CIF] data_ZrF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95776148 _cell_length_b 2.95776148 _cell_length_c 3.90463460 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrF _chemical_formula_sum 'Zr1 F1' _cell_volume 29.58266716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 0.00000000 0.00000000 0.00000000 1 Zr Zr1 1 1.47888074 0.85383219 1.95231730 1 [/CIF]
FZr
P-6m2
187
hexagonal
-6m2
6,187.025586
false
[CIF] data_Ca2MnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41139088 _cell_length_b 3.90223353 _cell_length_c 6.59346406 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MnIr _chemical_formula_sum 'Ca2 Mn1 Ir1' _cell_volume 87.77248286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70569544 1.95111677 1.79248707 1 Ca Ca1 1 1.70569544 1.95111677 4.80097699 1 Ir Ir2 1 0.00000000 0.00000000 3.29673203 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2IrMn
Pmmm
47
orthorhombic
mmm
6,192.291245
false
[CIF] data_LiCdSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83459117 _cell_length_b 5.83459117 _cell_length_c 5.83459117 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdSe4 _chemical_formula_sum 'Li1 Cd1 Se4' _cell_volume 140.44823728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.18851847 6.18851847 6.18851847 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 3.10346998 5.14788798 5.14788798 1 Se Se3 1 5.14788798 5.14788798 3.10346998 1 Se Se4 1 5.14788798 3.10346998 5.14788798 1 Se Se5 1 3.10346998 3.10346998 3.10346998 1 [/CIF]
CdLiSe4
F-43m
216
cubic
-43m
5,145.335616
false
[CIF] data_InAsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65508541 _cell_length_b 4.65508541 _cell_length_c 4.65508541 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAsPd2 _chemical_formula_sum 'In1 As1 Pd2' _cell_volume 71.32930017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.93746369 4.93746369 4.93746369 1 Pd Pd2 1 3.29164246 3.29164246 3.29164246 1 Pd Pd3 1 1.64582123 1.64582123 1.64582123 1 [/CIF]
AsInPd2
F-43m
216
cubic
-43m
9,372.013347
false
[CIF] data_CdNiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74544018 _cell_length_b 2.74544018 _cell_length_c 8.23380010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNiW2 _chemical_formula_sum 'Cd1 Ni1 W2' _cell_volume 62.06178890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 4.11690005 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.37272009 1.37272009 1.79064156 1 W W3 1 1.37272009 1.37272009 6.44315854 1 [/CIF]
CdNiW2
P4/mmm
123
tetragonal
4/mmm
14,415.835582
false
[CIF] data_NdTa2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50025203 _cell_length_b 6.50025203 _cell_length_c 6.50025203 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTa2O4 _chemical_formula_sum 'Nd2 Ta4 O8' _cell_volume 194.21178949 _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 Nd Nd0 1 0.00000000 0.00000000 0.00000000 1 Nd Nd1 1 2.29818615 2.29818615 2.29818615 1 O O2 1 3.59499350 5.59775109 5.59775109 1 O O3 1 3.59499350 3.59499350 3.59499350 1 O O4 1 5.59775109 3.59499350 5.59775109 1 O O5 1 5.89317964 5.89317964 7.89593724 1 O O6 1 5.59775109 5.59775109 3.59499350 1 O O7 1 5.89317964 7.89593724 5.89317964 1 O O8 1 7.89593724 7.89593724 7.89593724 1 O O9 1 7.89593724 5.89317964 5.89317964 1 Ta Ta10 1 3.44727922 3.44727922 5.74546537 1 Ta Ta11 1 5.74546537 5.74546537 5.74546537 1 Ta Ta12 1 3.44727922 5.74546537 3.44727922 1 Ta Ta13 1 5.74546537 3.44727922 3.44727922 1 [/CIF]
Nd2O8Ta4
Fd-3m
227
cubic
m-3m
9,749.481201
false
[CIF] data_MgSn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22086422 _cell_length_b 3.22086422 _cell_length_c 7.99257586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn2Ru _chemical_formula_sum 'Mg1 Sn2 Ru1' _cell_volume 82.91471261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 3.99628793 1 Sn Sn2 1 1.61043211 1.61043211 5.65463521 1 Sn Sn3 1 1.61043211 1.61043211 2.33794065 1 [/CIF]
MgRuSn2
P4/mmm
123
tetragonal
4/mmm
7,265.727252
false
[CIF] data_VSbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68348678 _cell_length_b 4.68348678 _cell_length_c 4.68348678 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSbBr _chemical_formula_sum 'V1 Sb1 Br1' _cell_volume 72.64285385 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 4.96758789 4.96758789 4.96758789 1 Sb Sb1 1 1.65586263 1.65586263 1.65586263 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrSbV
F-43m
216
cubic
-43m
5,774.29546
false
[CIF] data_TaSiHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99835168 _cell_length_b 4.99835168 _cell_length_c 4.99835168 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSiHg3 _chemical_formula_sum 'Ta1 Si1 Hg3' _cell_volume 124.87641675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 2.49917584 0.00000000 1 Hg Hg2 1 0.00000000 0.00000000 2.49917584 1 Hg Hg3 1 2.49917584 0.00000000 0.00000000 1 Ta Ta4 1 2.49917584 2.49917584 2.49917584 1 [/CIF]
Hg3SiTa
Pm-3m
221
cubic
m-3m
10,781.624929
false
[CIF] data_SnRu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06937809 _cell_length_b 4.06937809 _cell_length_c 3.82861190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnRu2Pt _chemical_formula_sum 'Sn1 Ru2 Pt1' _cell_volume 63.40119298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03468904 2.03468904 0.00000000 1 Ru Ru1 1 2.03468904 0.00000000 1.91430595 1 Ru Ru2 1 0.00000000 2.03468904 1.91430595 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtRu2Sn
P4/mmm
123
tetragonal
4/mmm
13,512.814547
false
[CIF] data_LaTcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98422768 _cell_length_b 2.98422768 _cell_length_c 7.91360336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTcAu _chemical_formula_sum 'La1 Tc1 Au1' _cell_volume 61.03357638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49211385 0.86147232 7.71459523 1 La La1 1 0.00000001 1.72294464 2.68759376 1 Tc Tc2 1 0.00000000 0.00000000 5.42501766 1 [/CIF]
AuLaTc
P3m1
156
trigonal
3m
11,829.001244
false
[CIF] data_TlAg2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70682866 _cell_length_b 4.70682866 _cell_length_c 4.70682866 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAg2B _chemical_formula_sum 'Tl1 Ag2 B1' _cell_volume 73.73440304 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66411523 1.66411523 1.66411523 1 Ag Ag1 1 4.99234569 4.99234569 4.99234569 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.32823046 3.32823046 3.32823046 1 [/CIF]
Ag2BTl
Fm-3m
225
cubic
m-3m
9,704.794951
false
[CIF] data_ZrCr2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95765204 _cell_length_b 4.95765204 _cell_length_c 4.95765204 _cell_angle_alpha 143.23777188 _cell_angle_beta 127.50851437 _cell_angle_gamma 65.79482491 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCr2Co _chemical_formula_sum 'Zr1 Cr2 Co1' _cell_volume 57.06867644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.35562887 1 Cr Cr1 1 1.56332740 -0.00000000 0.05922798 1 Cr Cr2 1 -0.00000000 -0.00000000 1.90475255 1 Zr Zr3 1 0.00000000 2.19238305 0.00572008 1 [/CIF]
CoCr2Zr
Imm2
44
orthorhombic
mm2
7,395.308059
false
[CIF] data_TcAgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46096457 _cell_length_b 4.46096457 _cell_length_c 4.46096457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAgTe _chemical_formula_sum 'Tc1 Ag1 Te1' _cell_volume 62.77277456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.73156745 4.73156745 4.73156745 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.57718915 1.57718915 1.57718915 1 [/CIF]
AgTcTe
F-43m
216
cubic
-43m
8,845.263858
false
[CIF] data_LuIn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80590074 _cell_length_b 4.80590074 _cell_length_c 4.80590074 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuIn2Ru _chemical_formula_sum 'Lu1 In2 Ru1' _cell_volume 78.48910759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09742750 5.09742750 5.09742750 1 In In1 1 1.69914250 1.69914250 1.69914250 1 Lu Lu2 1 3.39828500 3.39828500 3.39828500 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2LuRu
Fm-3m
225
cubic
m-3m
10,698.165199
false
[CIF] data_LaGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51601305 _cell_length_b 3.51601305 _cell_length_c 8.78124292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGa _chemical_formula_sum 'La2 Ga2' _cell_volume 108.55677881 _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 Ga Ga0 1 1.75800652 0.00000000 8.09730949 1 Ga Ga1 1 0.00000000 1.75800652 0.68393343 1 La La2 1 1.75800652 0.00000000 2.80257530 1 La La3 1 0.00000000 1.75800652 5.97866762 1 [/CIF]
Ga2La2
P4/nmm
129
tetragonal
4/mmm
6,382.571934
false
[CIF] data_SiAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07355326 _cell_length_b 4.07355326 _cell_length_c 7.11712835 _cell_angle_alpha 105.47581948 _cell_angle_beta 105.47581948 _cell_angle_gamma 58.53509209 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAgTe2 _chemical_formula_sum 'Si1 Ag1 Te2' _cell_volume 95.90681281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.46506226 -0.00000000 3.38800459 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 4.76003115 -0.00000000 1.58060171 1 Te Te3 1 0.17009338 -0.00000000 5.19540746 1 [/CIF]
AgSiTe2
C2/m
12
monoclinic
2/m
6,772.469868
false
[CIF] data_TaB2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82834587 _cell_length_b 2.82834587 _cell_length_c 6.40954338 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.89441499 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaB2W _chemical_formula_sum 'Ta1 B2 W1' _cell_volume 47.57518436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 6.00518695 1 B B1 1 1.58375078 0.00000000 5.23508993 1 Ta Ta2 1 0.00000000 0.00000000 3.58319049 1 W W3 1 1.58375078 0.00000000 1.20039114 1 [/CIF]
B2TaW
Cmm2
35
orthorhombic
mm2
13,487.046032
false
[CIF] data_KTa2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85384662 _cell_length_b 3.95904852 _cell_length_c 8.57652798 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTa2Rh _chemical_formula_sum 'K1 Ta2 Rh1' _cell_volume 96.90204922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 0.00000000 0.00000000 4.28826399 1 Ta Ta2 1 1.42692331 1.97952426 5.57421873 1 Ta Ta3 1 1.42692331 1.97952426 3.00230925 1 [/CIF]
KRhTa2
Pmmm
47
orthorhombic
mmm
8,634.955729
false
[CIF] data_VZn2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77421461 _cell_length_b 2.77421461 _cell_length_c 7.85229777 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.36482202 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZn2Au _chemical_formula_sum 'V1 Zn2 Au1' _cell_volume 60.41623285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.92614888 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.93816331 0.00000000 1.87444359 1 Zn Zn3 1 1.93816331 0.00000000 5.97785418 1 [/CIF]
AuVZn2
Cmmm
65
orthorhombic
mmm
10,407.685025
false
[CIF] data_TaTcSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33087070 _cell_length_b 4.33087070 _cell_length_c 4.33087070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTcSe _chemical_formula_sum 'Ta1 Tc1 Se1' _cell_volume 57.43950064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ta Ta1 1 4.59358206 4.59358206 4.59358206 1 Tc Tc2 1 3.06238804 3.06238804 3.06238804 1 [/CIF]
SeTaTc
F-43m
216
cubic
-43m
10,373.084565
false
[CIF] data_Sr2CdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00326660 _cell_length_b 4.00326660 _cell_length_c 9.08312198 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.25091023 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CdIn _chemical_formula_sum 'Sr2 Cd1 In1' _cell_volume 145.45509834 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 4.20418259 1 In In1 1 2.77459057 0.00000000 2.64706953 1 Sr Sr2 1 0.00000000 0.00000000 0.53441093 1 Sr Sr3 1 2.77459057 0.00000000 6.23901991 1 [/CIF]
CdInSr2
Cmm2
35
orthorhombic
mm2
4,594.651581
false