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_NaTcW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39546477 _cell_length_b 3.39546477 _cell_length_c 6.99463035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTcW2 _chemical_formula_sum 'Na1 Tc1 W2' _cell_volume 80.64235936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 0.00000000 0.00000000 3.49731518 1 W W2 1 1.69773238 1.69773238 4.67422098 1 W W3 1 1.69773238 1.69773238 2.32040937 1 [/CIF]
NaTcW2
P4/mmm
123
tetragonal
4/mmm
10,081.054541
false
[CIF] data_HgIr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84088246 _cell_length_b 2.84088246 _cell_length_c 9.67733057 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.92730185 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgIr2Au _chemical_formula_sum 'Hg1 Ir2 Au1' _cell_volume 67.68780287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 4.83866528 1 Ir Ir2 1 1.42200177 0.00000000 7.29320531 1 Ir Ir3 1 1.42200177 0.00000000 2.38412526 1 [/CIF]
AuHgIr2
Cmmm
65
orthorhombic
mmm
19,184.045493
false
[CIF] data_TiAgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12044354 _cell_length_b 3.12044354 _cell_length_c 6.42840335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgOs2 _chemical_formula_sum 'Ti1 Ag1 Os2' _cell_volume 62.59444266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.21420168 1 Os Os1 1 1.56022177 1.56022177 5.03301754 1 Os Os2 1 1.56022177 1.56022177 1.39538581 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgOs2Ti
P4/mmm
123
tetragonal
4/mmm
14,224.474875
false
[CIF] data_NiGe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75223274 _cell_length_b 4.07459944 _cell_length_c 4.79830386 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.94019571 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGe2As _chemical_formula_sum 'Ni1 Ge2 As1' _cell_volume 68.04734272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.97970057 0.00000000 2.22539181 1 Ge Ge1 1 -0.78011736 2.03729972 3.48794302 1 Ge Ge2 1 2.73951850 2.03729972 0.96284060 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsGe2Ni
P2/m
10
monoclinic
2/m
6,805.791739
false
[CIF] data_TaZnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24649323 _cell_length_b 5.24649323 _cell_length_c 5.24649323 _cell_angle_alpha 143.42755324 _cell_angle_beta 129.85715060 _cell_angle_gamma 63.64191351 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnW2 _chemical_formula_sum 'Ta1 Zn1 W2' _cell_volume 65.25948272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.00000000 0.00000000 4.45794474 1 W W1 1 1.64616154 0.00000000 2.26988061 1 W W2 1 0.00000000 2.22318961 2.18806413 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TaW2Zn
Immm
71
orthorhombic
mmm
15,623.538978
false
[CIF] data_VGe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40739083 _cell_length_b 4.40739083 _cell_length_c 4.40739083 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGe2Pt _chemical_formula_sum 'V1 Ge2 Pt1' _cell_volume 60.53822624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67474391 4.67474391 4.67474391 1 Ge Ge1 1 1.55824797 1.55824797 1.55824797 1 Pt Pt2 1 3.11649594 3.11649594 3.11649594 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2PtV
Fm-3m
225
cubic
m-3m
10,733.351638
false
[CIF] data_FeNi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84934454 _cell_length_b 2.84934454 _cell_length_c 6.38126409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNi2Ag _chemical_formula_sum 'Fe1 Ni2 Ag1' _cell_volume 51.80797913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42467227 1.42467227 3.15250087 1 Fe Fe1 1 0.00000000 0.00000000 5.07065314 1 Ni Ni2 1 1.42467227 1.42467227 6.36004664 1 Ni Ni3 1 0.00000000 0.00000000 1.36995958 1 [/CIF]
AgFeNi2
P4mm
99
tetragonal
4mm
9,009.76142
false
[CIF] data_Tl2BiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75484808 _cell_length_b 5.75484808 _cell_length_c 3.65695376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2BiCl _chemical_formula_sum 'Tl2 Bi1 Cl1' _cell_volume 121.11200549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.87742404 2.87742404 0.00000000 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 0.00000000 2.87742404 1.82847688 1 Tl Tl3 1 2.87742404 0.00000000 1.82847688 1 [/CIF]
BiClTl2
P4/mmm
123
tetragonal
4/mmm
8,955.876124
false
[CIF] data_ZrScAgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85084210 _cell_length_b 4.85084210 _cell_length_c 4.85084210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScAgAu _chemical_formula_sum 'Zr1 Sc1 Ag1 Au1' _cell_volume 80.71168522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.14509501 5.14509501 5.14509501 1 Au Au1 1 1.71503167 1.71503167 1.71503167 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.43006334 3.43006334 3.43006334 1 [/CIF]
AgAuScZr
F-43m
216
cubic
-43m
9,073.309581
false
[CIF] data_Ba4MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01973780 _cell_length_b 7.01973780 _cell_length_c 7.01973780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4MoPd _chemical_formula_sum 'Ba4 Mo1 Pd1' _cell_volume 244.59505592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.72835318 3.72835318 6.19905522 1 Ba Ba1 1 3.72835318 6.19905522 3.72835318 1 Ba Ba2 1 6.19905522 3.72835318 3.72835318 1 Ba Ba3 1 6.19905522 6.19905522 6.19905522 1 Mo Mo4 1 0.00000000 0.00000000 0.00000000 1 Pd Pd5 1 2.48185210 2.48185210 2.48185210 1 [/CIF]
Ba4MoPd
F-43m
216
cubic
-43m
5,103.158301
false
[CIF] data_CaSc2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58903181 _cell_length_b 3.58903181 _cell_length_c 7.88772293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSc2Cr _chemical_formula_sum 'Ca1 Sc2 Cr1' _cell_volume 101.60293696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.18337903 1 Cr Cr1 1 1.79451591 1.79451591 6.33546378 1 Sc Sc2 1 0.00000000 0.00000000 7.61121620 1 Sc Sc3 1 1.79451591 1.79451591 1.58924823 1 [/CIF]
CaCrSc2
P4mm
99
tetragonal
4mm
2,974.271664
false
[CIF] data_BaCdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02831314 _cell_length_b 5.02831314 _cell_length_c 4.29251188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdGa _chemical_formula_sum 'Ba1 Cd1 Ga1' _cell_volume 93.99110801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51415660 1.45154896 2.14625594 1 Cd Cd1 1 0.00000003 2.90309793 0.00000000 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCdGa
P-6m2
187
hexagonal
-6m2
5,643.91124
false
[CIF] data_LiLaCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01580805 _cell_length_b 5.01580805 _cell_length_c 4.56633195 _cell_angle_alpha 97.38023114 _cell_angle_beta 97.38023114 _cell_angle_gamma 35.25217300 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaCr2 _chemical_formula_sum 'Li1 La1 Cr2' _cell_volume 65.70171888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.90448037 -0.00000000 0.92002709 1 Cr Cr1 1 2.04072562 0.00000000 3.60463896 1 La La2 1 4.47260300 -0.00000000 2.26233302 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2LaLi
C2/m
12
monoclinic
2/m
6,314.399059
false
[CIF] data_AlCrCdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38626846 _cell_length_b 4.38626846 _cell_length_c 4.38626846 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrCdTc _chemical_formula_sum 'Al1 Cr1 Cd1 Tc1' _cell_volume 59.67200468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 4.65234026 4.65234026 4.65234026 1 Cr Cr2 1 3.10156017 3.10156017 3.10156017 1 Tc Tc3 1 1.55078009 1.55078009 1.55078008 1 [/CIF]
AlCdCrTc
F-43m
216
cubic
-43m
8,078.259192
false
[CIF] data_ScAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41495992 _cell_length_b 5.41495992 _cell_length_c 6.75487160 _cell_angle_alpha 110.52027372 _cell_angle_beta 110.52027372 _cell_angle_gamma 39.26850283 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAu2 _chemical_formula_sum 'Sc2 Au4' _cell_volume 116.36010057 _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 0.18724791 -0.00000000 3.51042787 1 Au Au1 1 4.20260618 -0.00000000 1.30605957 1 Au Au2 1 3.48360924 -0.00000000 4.96355010 1 Au Au3 1 7.49896751 -0.00000000 2.75918180 1 Sc Sc4 1 6.31220869 -0.00000000 5.41125452 1 Sc Sc5 1 1.37400673 0.00000000 0.85835514 1 [/CIF]
Au4Sc2
C2/m
12
monoclinic
2/m
12,526.500232
false
[CIF] data_BaAl2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35136183 _cell_length_b 3.35136183 _cell_length_c 8.19272458 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.11190846 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl2B _chemical_formula_sum 'Ba1 Al2 B1' _cell_volume 85.24976178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87134351 0.00000000 6.91783881 1 Al Al1 1 1.87134351 0.00000000 1.27488577 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Ba Ba3 1 0.00000000 0.00000000 4.09636229 1 [/CIF]
Al2BBa
Cmmm
65
orthorhombic
mmm
3,936.629582
false
[CIF] data_ScFeGeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41915942 _cell_length_b 4.41915942 _cell_length_c 4.41915942 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeGeMo _chemical_formula_sum 'Sc1 Fe1 Ge1 Mo1' _cell_volume 61.02446914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 4.68722639 4.68722639 4.68722639 1 Fe Fe1 1 3.12481760 3.12481760 3.12481760 1 Ge Ge2 1 1.56240880 1.56240880 1.56240880 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeGeMoSc
F-43m
216
cubic
-43m
7,330.678091
false
[CIF] data_CaCo2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57148462 _cell_length_b 4.57148462 _cell_length_c 3.11742656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.23786627 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCo2Hg _chemical_formula_sum 'Ca1 Co2 Hg1' _cell_volume 65.09976300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 1.58439357 1.64751781 1.55871328 1 Co Co2 1 1.58439357 -1.64751781 1.55871328 1 Hg Hg3 1 3.16878714 -0.00000000 0.00000000 1 [/CIF]
CaCo2Hg
Cmmm
65
orthorhombic
mmm
9,145.353744
false
[CIF] data_BAu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99114068 _cell_length_b 4.25971599 _cell_length_c 5.25628138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.59993255 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BAu2Se _chemical_formula_sum 'B1 Au2 Se1' _cell_volume 66.96876371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.72132875 2.12985800 1.13329395 1 Au Au1 1 2.21477548 2.12985800 4.12269929 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 1.46805211 0.00000000 2.62799662 1 [/CIF]
Au2BSe
P2/m
10
monoclinic
2/m
11,993.794918
false
[CIF] data_K2TiIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92205439 _cell_length_b 6.92205439 _cell_length_c 6.92205439 _cell_angle_alpha 141.70220541 _cell_angle_beta 141.70220541 _cell_angle_gamma 55.27763120 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TiIn _chemical_formula_sum 'K2 Ti1 In1' _cell_volume 126.46093482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 6.13217538 1 K K1 1 0.00000000 2.27060147 3.06608769 1 K K2 1 2.27060147 -0.00000000 3.06608769 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InK2Ti
I4/mmm
139
tetragonal
4/mmm
3,162.979206
false
[CIF] data_Re2TcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82173959 _cell_length_b 4.82173959 _cell_length_c 2.82136732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.35106982 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TcAu _chemical_formula_sum 'Re2 Tc1 Au1' _cell_volume 61.50000589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.75352259 0.00000000 0.00000000 1 Re Re1 1 1.37676130 -1.97909614 1.41068366 1 Re Re2 1 1.37676130 1.97909614 1.41068366 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRe2Tc
Cmmm
65
orthorhombic
mmm
18,044.16555
false
[CIF] data_Zn2CdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13212654 _cell_length_b 4.13212654 _cell_length_c 3.64879706 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CdTc _chemical_formula_sum 'Zn2 Cd1 Tc1' _cell_volume 62.30127500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06606327 2.06606327 0.00000000 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 2.06606327 1.82439853 1 Zn Zn3 1 2.06606327 0.00000000 1.82439853 1 [/CIF]
CdTcZn2
P4/mmm
123
tetragonal
4/mmm
9,117.510908
false
[CIF] data_SrGe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81582821 _cell_length_b 5.81582821 _cell_length_c 5.81582821 _cell_angle_alpha 144.99414032 _cell_angle_beta 127.46661817 _cell_angle_gamma 64.69780618 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGe2P _chemical_formula_sum 'Sr1 Ge2 P1' _cell_volume 88.47609045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.74913690 0.00000000 2.00223962 1 Ge Ge1 1 0.00000000 2.57379443 2.91100372 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 -0.00000000 0.00000000 4.91324334 1 [/CIF]
Ge2PSr
Immm
71
orthorhombic
mmm
4,952.44182
false
[CIF] data_CaH4Br3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90627655 _cell_length_b 4.40794046 _cell_length_c 15.99691257 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaH4Br3N _chemical_formula_sum 'Ca4 H16 Br12 N4' _cell_volume 698.52561825 _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 Ca Ca0 1 8.27433741 3.30595534 8.96787943 1 Ca Ca1 1 1.63193914 1.10198511 7.02903314 1 Ca Ca2 1 3.32119914 3.30595534 15.02748943 1 Ca Ca3 1 6.58507741 1.10198511 0.96942314 1 H H4 1 3.84009086 0.26925500 11.09660943 1 H H5 1 6.06618569 2.47322523 4.90030314 1 H H6 1 8.79322914 1.93471523 12.89875943 1 H H7 1 1.11304741 4.13868546 3.09815314 1 H H8 1 6.06618569 4.13868546 4.90030314 1 H H9 1 3.84009086 1.93471523 11.09660943 1 H H10 1 1.11304741 2.47322523 3.09815314 1 H H11 1 8.79322914 0.26925500 12.89875943 1 H H12 1 4.64783086 3.30595534 4.51738943 1 H H13 1 5.25844569 1.10198511 11.47952314 1 H H14 1 9.60096914 3.30595534 3.48106686 1 H H15 1 0.30530741 1.10198511 12.51584571 1 H H16 1 5.17174741 3.30595534 6.11359943 1 H H17 1 4.73452914 1.10198511 9.88331314 1 H H18 1 0.21860914 3.30595534 1.88485686 1 H H19 1 9.68766741 1.10198511 14.11205571 1 N N20 1 9.37732741 1.10198511 13.12360943 1 N N21 1 0.52894914 3.30595534 2.87330314 1 N N22 1 4.42418914 1.10198511 10.87175943 1 N N23 1 5.48208741 3.30595534 5.12515314 1 Br Br24 1 7.26360741 3.30595534 11.63799943 1 Br Br25 1 2.64266914 1.10198511 4.35891314 1 Br Br26 1 2.31046914 3.30595534 12.35736943 1 Br Br27 1 7.59580741 1.10198511 3.63954314 1 Br Br28 1 6.58315741 1.10198511 8.05832943 1 Br Br29 1 3.32311914 3.30595534 7.93858314 1 Br Br30 1 1.63001914 1.10198511 15.93703943 1 Br Br31 1 8.27625741 3.30595534 0.05987314 1 Br Br32 1 9.66596741 3.30595534 6.37720943 1 Br Br33 1 0.24030914 1.10198511 9.61970314 1 Br Br34 1 4.71282914 3.30595534 1.62124686 1 Br Br35 1 5.19344741 1.10198511 14.37566571 1 [/CIF]
Br12Ca4H16N4
Pnma
62
orthorhombic
mmm
2,831.998026
false
[CIF] data_CoRh2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73642259 _cell_length_b 4.73642259 _cell_length_c 4.73642259 _cell_angle_alpha 135.38647827 _cell_angle_beta 129.29754212 _cell_angle_gamma 69.80550695 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRh2Se _chemical_formula_sum 'Co1 Rh2 Se1' _cell_volume 56.64868162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 2.02797533 1.75906766 1 Rh Rh2 1 1.79778181 0.00000000 2.12538798 1 Se Se3 1 0.00000000 0.00000000 3.88445564 1 [/CIF]
CoRh2Se
Immm
71
orthorhombic
mmm
10,074.97839
false
[CIF] data_NbVCrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23149415 _cell_length_b 4.23149415 _cell_length_c 4.23149415 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVCrCo _chemical_formula_sum 'Nb1 V1 Cr1 Co1' _cell_volume 53.57550057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49605910 1.49605910 1.49605910 1 Cr Cr1 1 4.48817731 4.48817731 4.48817731 1 Nb Nb2 1 2.99211821 2.99211821 2.99211821 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoCrNbV
F-43m
216
cubic
-43m
7,896.658881
false
[CIF] data_GeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83232965 _cell_length_b 7.31018304 _cell_length_c 4.24522145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeOs2 _chemical_formula_sum 'Ge2 Os4' _cell_volume 87.89666558 _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 Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 1.41616483 3.65509152 2.12261072 1 Os Os2 1 2.15039174 2.44035921 0.00000000 1 Os Os3 1 0.68193791 4.86982383 0.00000000 1 Os Os4 1 0.73422691 1.21473231 2.12261072 1 Os Os5 1 2.09810274 6.09545073 2.12261072 1 [/CIF]
Ge2Os4
Pnnm
58
orthorhombic
mmm
17,119.881537
false
[CIF] data_Na2BeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65170951 _cell_length_b 4.65170951 _cell_length_c 4.65170951 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2BeW _chemical_formula_sum 'Na2 Be1 W1' _cell_volume 71.17422730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 3.28925534 3.28925534 3.28925534 1 Na Na2 1 4.93388301 4.93388301 4.93388301 1 W W3 1 1.64462767 1.64462767 1.64462767 1 [/CIF]
BeNa2W
F-43m
216
cubic
-43m
5,572.09284
false
[CIF] data_NaHfMnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60573551 _cell_length_b 4.60573551 _cell_length_c 4.60573551 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfMnIr _chemical_formula_sum 'Na1 Hf1 Mn1 Ir1' _cell_volume 69.08471733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25674681 3.25674681 3.25674681 1 Ir Ir1 1 1.62837341 1.62837341 1.62837341 1 Mn Mn2 1 4.88512022 4.88512022 4.88512022 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfIrMnNa
F-43m
216
cubic
-43m
10,783.508489
false
[CIF] data_LiMnIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53510616 _cell_length_b 4.53510616 _cell_length_c 4.53510616 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnIrPb _chemical_formula_sum 'Li1 Mn1 Ir1 Pb1' _cell_volume 65.95494699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.20680432 3.20680432 3.20680432 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.81020648 4.81020648 4.81020648 1 Pb Pb3 1 1.60340216 1.60340216 1.60340216 1 [/CIF]
IrLiMnPb
F-43m
216
cubic
-43m
11,613.99014
false
[CIF] data_CaZrBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38255668 _cell_length_b 4.38255668 _cell_length_c 6.16071837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrBi2 _chemical_formula_sum 'Ca1 Zr1 Bi2' _cell_volume 118.32770467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 3.08035919 1 Bi Bi1 1 2.19127834 2.19127834 0.00000000 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.19127834 2.19127834 3.08035919 1 [/CIF]
Bi2CaZr
P4/mmm
123
tetragonal
4/mmm
7,708.157817
false
[CIF] data_Tc2PAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22223059 _cell_length_b 5.22223059 _cell_length_c 5.22223059 _cell_angle_alpha 146.03542503 _cell_angle_beta 131.38557662 _cell_angle_gamma 60.62614401 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2PAu _chemical_formula_sum 'Tc2 P1 Au1' _cell_volume 59.12647832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52528852 0.00000000 4.27140042 1 P P1 1 -0.00000000 0.00000000 2.11113683 1 Tc Tc2 1 1.52528852 -0.00000000 0.31304950 1 Tc Tc3 1 0.00000000 0.00000000 6.82916141 1 [/CIF]
AuPTc2
Imm2
44
orthorhombic
mm2
11,957.063275
false
[CIF] data_Sn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38832028 _cell_length_b 6.38832028 _cell_length_c 7.57597498 _cell_angle_alpha 107.55188724 _cell_angle_beta 107.55188724 _cell_angle_gamma 30.52697425 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2Ge _chemical_formula_sum 'Sn4 Ge2' _cell_volume 149.17609806 _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 Ge Ge0 1 5.51256196 -0.00000000 1.69201304 1 Ge Ge1 1 4.44516744 0.00000000 5.50430066 1 Sn Sn2 1 8.25111899 -0.00000000 6.52924305 1 Sn Sn3 1 1.70661042 -0.00000000 0.66707065 1 Sn Sn4 1 9.52644151 0.00000000 3.09975455 1 Sn Sn5 1 0.43128790 0.00000000 4.09655914 1 [/CIF]
Ge2Sn4
C2/m
12
monoclinic
2/m
6,902.804801
false
[CIF] data_LiTc2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27043485 _cell_length_b 4.27043485 _cell_length_c 4.27043485 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTc2Os _chemical_formula_sum 'Li1 Tc2 Os1' _cell_volume 55.06825358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.52948016 4.52948016 4.52948016 1 Tc Tc2 1 3.01965344 3.01965344 3.01965344 1 Tc Tc3 1 1.50982672 1.50982672 1.50982672 1 [/CIF]
LiOsTc2
F-43m
216
cubic
-43m
11,910.40797
false
[CIF] data_NbHg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80818089 _cell_length_b 5.80818089 _cell_length_c 2.97472788 _cell_angle_alpha 103.96294235 _cell_angle_beta 103.96294235 _cell_angle_gamma 120.73338583 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbHg2Ir _chemical_formula_sum 'Nb1 Hg2 Ir1' _cell_volume 75.28963256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.71007378 2.52425762 1.29822936 1 Hg Hg1 1 0.71007378 -2.52425762 1.29822936 1 Ir Ir2 1 2.87183899 -0.00000000 0.00000000 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2IrNb
C2/m
12
monoclinic
2/m
15,136.660059
false
[CIF] data_Ta4Pd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52462959 _cell_length_b 6.52462959 _cell_length_c 6.52462959 _cell_angle_alpha 94.86457012 _cell_angle_beta 94.86457012 _cell_angle_gamma 146.13968536 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4Pd5 _chemical_formula_sum 'Ta4 Pd5' _cell_volume 148.05162700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 2.94186540 2.94186540 0.00000000 1 Pd Pd2 1 -1.47179262 1.47179262 1.90000976 1 Pd Pd3 1 1.47179262 -1.47179262 1.90000977 1 Pd Pd4 1 1.47179262 1.47179262 1.90000977 1 Ta Ta5 1 -0.00000000 2.90719162 0.00000000 1 Ta Ta6 1 -0.00000000 5.92012442 -0.00000000 1 Ta Ta7 1 2.90719162 0.00000000 0.00000000 1 Ta Ta8 1 5.92012442 0.00000000 0.00000000 1 [/CIF]
Pd5Ta4
I4/mmm
139
tetragonal
4/mmm
14,086.01158
false
[CIF] data_AlPt2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97307797 _cell_length_b 4.55298007 _cell_length_c 4.89792801 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.01086806 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPt2Cl _chemical_formula_sum 'Al1 Pt2 Cl1' _cell_volume 65.80441502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.30830852 0.00000000 2.36228665 1 Cl Cl1 1 -0.21081439 2.27649004 3.73864715 1 Pt Pt2 1 -0.10776782 0.00000000 4.72313133 1 Pt Pt3 1 1.97531721 2.27649004 1.32920053 1 [/CIF]
AlClPt2
Pm
6
monoclinic
m
11,421.181949
false
[CIF] data_Li2MgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36264588 _cell_length_b 3.36264588 _cell_length_c 6.10081214 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgAu _chemical_formula_sum 'Li2 Mg1 Au1' _cell_volume 68.98424584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05040607 1 Li Li1 1 1.68132294 1.68132294 4.35355925 1 Li Li2 1 1.68132294 1.68132294 1.74725289 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLi2Mg
P4/mmm
123
tetragonal
4/mmm
5,660.469392
false
[CIF] data_Re7Pb6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.86357679 _cell_length_b 11.86357679 _cell_length_c 11.86357679 _cell_angle_alpha 26.02920324 _cell_angle_beta 26.02920324 _cell_angle_gamma 26.02920324 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re7Pb6 _chemical_formula_sum 'Re7 Pb6' _cell_volume 283.24902397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 0.00000000 15.36921369 1 Pb Pb1 1 -0.00000000 0.00000000 18.99713972 1 Pb Pb2 1 -0.00000000 0.00000000 12.07225524 1 Pb Pb3 1 -0.00000000 0.00000000 22.29409817 1 Pb Pb4 1 -0.00000000 0.00000000 4.90735753 1 Pb Pb5 1 -0.00000000 0.00000000 29.45899589 1 Re Re6 1 -1.29279727 -0.74639685 25.14510267 1 Re Re7 1 -0.00000000 1.49279370 25.14510267 1 Re Re8 1 1.29279727 -0.74639685 25.14510267 1 Re Re9 1 1.29279727 0.74639685 9.22125074 1 Re Re10 1 -1.29279727 0.74639685 9.22125074 1 Re Re11 1 0.00000000 -1.49279370 9.22125074 1 Re Re12 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Pb6Re7
R-3m
166
trigonal
-3m
14,929.654809
false
[CIF] data_ScPPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02171002 _cell_length_b 7.02171002 _cell_length_c 3.59654614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPPt _chemical_formula_sum 'Sc3 P3 Pt3' _cell_volume 153.56846656 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.05398617 1.79827307 1 P P1 1 3.51085501 2.02699308 1.79827307 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 4.55396057 0.00000000 0.00000000 1 Pt Pt4 1 -2.27698029 3.94384555 0.00000000 1 Pt Pt5 1 1.23387472 2.13713371 0.00000000 1 Sc Sc6 1 1.97393055 0.00000000 1.79827307 1 Sc Sc7 1 -0.98696528 1.70947400 1.79827307 1 Sc Sc8 1 2.52388973 4.37150525 1.79827307 1 [/CIF]
P3Pt3Sc3
P-62m
189
hexagonal
-6m2
8,791.429709
false
[CIF] data_Cr2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04189691 _cell_length_b 5.04189691 _cell_length_c 6.41366410 _cell_angle_alpha 104.36276258 _cell_angle_beta 104.36276258 _cell_angle_gamma 29.55766495 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Pd _chemical_formula_sum 'Cr4 Pd2' _cell_volume 77.73572921 _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 Cr Cr0 1 8.24940867 -0.00000000 4.36721204 1 Cr Cr1 1 1.96334283 -0.00000000 6.08617025 1 Cr Cr2 1 6.14144623 -0.00000000 0.11283889 1 Cr Cr3 1 -0.14461960 -0.00000000 1.83179710 1 Pd Pd4 1 2.45595598 0.00000000 2.20548682 1 Pd Pd5 1 5.64883308 -0.00000000 3.99352232 1 [/CIF]
Cr4Pd2
C2/m
12
monoclinic
2/m
8,989.371598
false
[CIF] data_Mn3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58384822 _cell_length_b 4.58384822 _cell_length_c 4.58384822 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Rh _chemical_formula_sum 'Mn6 Rh2' _cell_volume 96.31428094 _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 Mn Mn0 1 2.29192411 3.43788617 0.00000000 1 Mn Mn1 1 2.29192411 1.14596206 0.00000000 1 Mn Mn2 1 3.43788617 0.00000000 2.29192411 1 Mn Mn3 1 0.00000000 2.29192411 3.43788617 1 Mn Mn4 1 0.00000000 2.29192411 1.14596206 1 Mn Mn5 1 1.14596206 0.00000000 2.29192411 1 Rh Rh6 1 2.29192411 2.29192411 2.29192411 1 Rh Rh7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn6Rh2
Pm-3n
223
cubic
m-3m
9,231.422557
false
[CIF] data_TlBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40158845 _cell_length_b 5.40158845 _cell_length_c 5.40158845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBiPb _chemical_formula_sum 'Tl1 Bi1 Pb1' _cell_volume 111.44214877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.81949982 3.81949982 3.81949982 1 Pb Pb1 1 1.90974991 1.90974991 1.90974991 1 Tl Tl2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiPbTl
F-43m
216
cubic
-43m
9,246.6834
false
[CIF] data_BaLaCrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00731607 _cell_length_b 5.00731607 _cell_length_c 5.00731607 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaCrCo _chemical_formula_sum 'Ba1 La1 Cr1 Co1' _cell_volume 88.77690895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.54070715 3.54070715 3.54070715 1 Co Co1 1 1.77035357 1.77035357 1.77035358 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 5.31106072 5.31106072 5.31106072 1 [/CIF]
BaCoCrLa
F-43m
216
cubic
-43m
7,241.716833
false
[CIF] data_V3ReO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79431129 _cell_length_b 4.79431129 _cell_length_c 4.79431129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3ReO _chemical_formula_sum 'V3 Re1 O1' _cell_volume 110.19926219 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.39715564 2.39715564 2.39715564 1 O O1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 2.39715564 0.00000000 2.39715564 1 V V3 1 2.39715564 2.39715564 0.00000000 1 V V4 1 0.00000000 2.39715564 2.39715564 1 [/CIF]
OReV3
Pm-3m
221
cubic
m-3m
5,349.787899
false
[CIF] data_Sr2ScGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04381892 _cell_length_b 4.91628448 _cell_length_c 7.25169049 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.85626409 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ScGa _chemical_formula_sum 'Sr2 Sc1 Ga1' _cell_volume 138.68213910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.32190555 2.45814224 3.66432968 1 Sc Sc1 1 -0.17817150 0.00000000 5.00819688 1 Sr Sr2 1 1.84113660 2.45814224 6.56403581 1 Sr Sr3 1 1.79322031 0.00000000 2.20284955 1 [/CIF]
GaScSr2
Pm
6
monoclinic
m
3,471.403619
false
[CIF] data_SrBeFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83724228 _cell_length_b 5.83724228 _cell_length_c 5.83724228 _cell_angle_alpha 38.82676327 _cell_angle_beta 38.82676327 _cell_angle_gamma 38.82676327 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeFe2 _chemical_formula_sum 'Sr1 Be1 Fe2' _cell_volume 70.28854644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.08533969 1 Fe Fe1 1 -0.00000000 -0.00000000 0.01888969 1 Fe Fe2 1 0.00000000 0.00000000 11.00162089 1 Sr Sr3 1 -0.00000000 0.00000000 8.03040210 1 [/CIF]
BeFe2Sr
R3m
160
trigonal
3m
4,916.942265
false
[CIF] data_BaYPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67039076 _cell_length_b 3.67039076 _cell_length_c 7.61532443 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYPd2 _chemical_formula_sum 'Ba1 Y1 Pd2' _cell_volume 102.59188676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 3.80766222 1 Pd Pd1 1 1.83519538 1.83519538 6.11702382 1 Pd Pd2 1 1.83519538 1.83519538 1.49830061 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPd2Y
P4/mmm
123
tetragonal
4/mmm
7,106.842754
false
[CIF] data_YNbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23487330 _cell_length_b 3.23487330 _cell_length_c 7.28819132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbPd2 _chemical_formula_sum 'Y1 Nb1 Pd2' _cell_volume 76.26658764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64409566 1 Pd Pd1 1 1.61743665 1.61743665 5.27646015 1 Pd Pd2 1 1.61743665 1.61743665 2.01173117 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbPd2Y
P4/mmm
123
tetragonal
4/mmm
8,592.693943
false
[CIF] data_Na2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32105251 _cell_length_b 5.32105251 _cell_length_c 3.54440474 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Bi _chemical_formula_sum 'Na2 Bi1' _cell_volume 86.90985601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 2.66052626 1.53605555 2.36594500 1 Na Na2 1 -0.00000000 3.07211110 1.17845974 1 [/CIF]
BiNa2
P-3m1
164
trigonal
-3m
4,871.380042
false
[CIF] data_LiYHfTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98658087 _cell_length_b 4.98658087 _cell_length_c 4.98658087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYHfTi _chemical_formula_sum 'Li1 Y1 Hf1 Ti1' _cell_volume 87.67859921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.52604515 3.52604515 3.52604515 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.76302257 1.76302257 1.76302258 1 Y Y3 1 5.28906772 5.28906773 5.28906773 1 [/CIF]
HfLiTiY
F-43m
216
cubic
-43m
6,102.196946
false
[CIF] data_ScBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61106968 _cell_length_b 4.61106968 _cell_length_c 4.61106968 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBiRu _chemical_formula_sum 'Sc1 Bi1 Ru1' _cell_volume 69.32502865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 4.89077796 4.89077796 4.89077796 1 Ru Ru1 1 1.63025932 1.63025932 1.63025932 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiRuSc
F-43m
216
cubic
-43m
8,503.449063
false
[CIF] data_Zn2GeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46074826 _cell_length_b 3.46074826 _cell_length_c 4.85109489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2GeB _chemical_formula_sum 'Zn2 Ge1 B1' _cell_volume 58.10048924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.73037413 1.73037413 0.00000000 1 Zn Zn2 1 1.73037413 0.00000000 2.42554744 1 Zn Zn3 1 0.00000000 1.73037413 2.42554744 1 [/CIF]
BGeZn2
P4/mmm
123
tetragonal
4/mmm
6,122.530933
false
[CIF] data_MgAgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13561039 _cell_length_b 4.54013992 _cell_length_c 4.60022592 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAgPd2 _chemical_formula_sum 'Mg1 Ag1 Pd2' _cell_volume 65.48932179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27006996 2.70295097 1 Mg Mg1 1 0.00000000 0.00000000 0.74050278 1 Pd Pd2 1 1.56780519 2.27006996 0.39697613 1 Pd Pd3 1 1.56780519 0.00000000 3.05990900 1 [/CIF]
AgMgPd2
Pmm2
25
orthorhombic
mm2
8,748.151742
false
[CIF] data_TiAgBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11440585 _cell_length_b 5.11440585 _cell_length_c 5.11440585 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgBiPb _chemical_formula_sum 'Ti1 Ag1 Bi1 Pb1' _cell_volume 94.59551966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.61643106 3.61643106 3.61643106 1 Bi Bi1 1 5.42464659 5.42464659 5.42464659 1 Pb Pb2 1 1.80821553 1.80821553 1.80821553 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBiPbTi
F-43m
216
cubic
-43m
10,039.462757
false
[CIF] data_CrTe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80725961 _cell_length_b 4.80725961 _cell_length_c 4.80725961 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTe2Ir _chemical_formula_sum 'Cr1 Te2 Ir1' _cell_volume 78.55570514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.39924587 3.39924587 3.39924587 1 Te Te2 1 5.09886881 5.09886881 5.09886881 1 Te Te3 1 1.69962294 1.69962293 1.69962294 1 [/CIF]
CrIrTe2
Fm-3m
225
cubic
m-3m
10,556.775748
false
[CIF] data_SrNb2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31995983 _cell_length_b 3.93413667 _cell_length_c 7.34745904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNb2Re _chemical_formula_sum 'Sr1 Nb2 Re1' _cell_volume 95.96645354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.65997992 1.96706834 0.63421621 1 Nb Nb1 1 0.00000000 0.00000000 1.94618878 1 Re Re2 1 1.65997992 1.96706834 3.00570876 1 Sr Sr3 1 0.00000000 0.00000000 5.43507482 1 [/CIF]
Nb2ReSr
Pmm2
25
orthorhombic
mm2
7,953.297739
false
[CIF] data_TiInPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85192303 _cell_length_b 8.85192303 _cell_length_c 8.85192303 _cell_angle_alpha 19.90133343 _cell_angle_beta 19.90133343 _cell_angle_gamma 19.90133343 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiInPd2 _chemical_formula_sum 'Ti1 In1 Pd2' _cell_volume 70.30232504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 13.01088249 1 Pd Pd1 1 0.00000000 0.00000000 6.65241972 1 Pd Pd2 1 0.00000000 0.00000000 19.36934527 1 Ti Ti3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
InPd2Ti
R-3m
166
trigonal
-3m
8,869.890611
false
[CIF] data_NaCu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88676998 _cell_length_b 3.88676998 _cell_length_c 4.61642398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCu2Br _chemical_formula_sum 'Na1 Cu2 Br1' _cell_volume 69.74022896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94338499 1.94338499 0.00000000 1 Cu Cu1 1 1.94338499 0.00000000 2.30821199 1 Cu Cu2 1 0.00000000 1.94338499 2.30821199 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCu2Na
P4/mmm
123
tetragonal
4/mmm
5,476.076832
false
[CIF] data_Hf2BeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44262633 _cell_length_b 5.44262633 _cell_length_c 5.44262633 _cell_angle_alpha 136.42481205 _cell_angle_beta 136.42481205 _cell_angle_gamma 63.32424850 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BeHg _chemical_formula_sum 'Hf2 Be1 Hg1' _cell_volume 75.61955046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 -0.00000000 -0.00000000 1 Hf Hf1 1 2.02012212 0.00000000 2.31626826 1 Hf Hf2 1 0.00000000 -0.00000000 4.63253652 1 Hg Hg3 1 -0.00000000 2.02012212 2.31626826 1 [/CIF]
BeHf2Hg
I-4m2
119
tetragonal
-42m
12,441.64825
false
[CIF] data_CdTcCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53788863 _cell_length_b 4.53788863 _cell_length_c 4.09359256 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTcCl2 _chemical_formula_sum 'Cd1 Tc1 Cl2' _cell_volume 84.29703141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26894432 2.26894432 0.00000000 1 Cl Cl1 1 2.26894432 0.00000000 2.04679628 1 Cl Cl2 1 0.00000000 2.26894432 2.04679628 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCl2Tc
P4/mmm
123
tetragonal
4/mmm
5,559.420554
false
[CIF] data_VFeOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35027334 _cell_length_b 4.35027334 _cell_length_c 4.35027334 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeOsAu _chemical_formula_sum 'V1 Fe1 Os1 Au1' _cell_volume 58.21496491 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07610778 3.07610778 3.07610778 1 Fe Fe1 1 1.53805389 1.53805389 1.53805389 1 Os Os2 1 4.61416167 4.61416167 4.61416167 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuFeOsV
F-43m
216
cubic
-43m
14,090.503801
false
[CIF] data_ZrMnSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22491102 _cell_length_b 3.22491102 _cell_length_c 8.08927791 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.39880861 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnSn2 _chemical_formula_sum 'Zr1 Mn1 Sn2' _cell_volume 84.10383315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16822724 1 Sn Sn1 1 2.25235115 0.00000000 0.53741126 1 Sn Sn2 1 0.00000000 0.00000000 5.84015223 1 Zr Zr3 1 2.25235115 0.00000000 3.58812614 1 [/CIF]
MnSn2Zr
Cmm2
35
orthorhombic
mm2
7,573.411902
false
[CIF] data_Ba2CuB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58109757 _cell_length_b 4.58109757 _cell_length_c 6.37130242 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CuB _chemical_formula_sum 'Ba2 Cu1 B1' _cell_volume 133.71105118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.55069173 1 Ba Ba1 1 2.29054878 2.29054878 5.57324442 1 Ba Ba2 1 0.00000000 0.00000000 2.42893506 1 Cu Cu3 1 2.29054878 2.29054878 2.37538484 1 [/CIF]
BBa2Cu
P4mm
99
tetragonal
4mm
4,334.319378
false
[CIF] data_KNaTcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28906974 _cell_length_b 5.28906974 _cell_length_c 5.28906974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaTcAu _chemical_formula_sum 'K1 Na1 Tc1 Au1' _cell_volume 104.62196749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.60990562 5.60990562 5.60990562 1 K K1 1 3.73993708 3.73993708 3.73993708 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.86996854 1.86996854 1.86996854 1 [/CIF]
AuKNaTc
F-43m
216
cubic
-43m
5,681.483254
false
[CIF] data_Sr2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59597556 _cell_length_b 4.59597556 _cell_length_c 6.72289147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Be _chemical_formula_sum 'Sr2 Be1' _cell_volume 122.98217038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 -0.00000000 2.65348773 5.10207024 1 Sr Sr2 1 2.29798778 1.32674386 1.62082123 1 [/CIF]
BeSr2
P-3m1
164
trigonal
-3m
2,487.823604
false
[CIF] data_CaTiBiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59250100 _cell_length_b 16.01546600 _cell_length_c 11.34420300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiBiO5 _chemical_formula_sum 'Ca8 Ti8 Bi8 O40' _cell_volume 1016.06066714 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.76904298 8.74611004 4.08888184 1 Ca Ca1 1 5.56529348 8.74611004 1.58321966 1 Ca Ca2 1 5.56529348 15.27708896 7.25532116 1 Ca Ca3 1 0.02720752 0.73837704 4.08888184 1 Ca Ca4 1 2.82345802 0.73837704 1.58321966 1 Ca Ca5 1 0.02720752 7.26935596 9.76098334 1 Ca Ca6 1 2.82345802 7.26935596 7.25532116 1 Ca Ca7 1 2.76904298 15.27708896 9.76098334 1 Ti Ti8 1 5.51799211 6.43480604 4.53478843 1 Ti Ti9 1 2.87075939 9.58065996 10.20688993 1 Ti Ti10 1 0.07450889 9.58065996 6.80941457 1 Ti Ti11 1 2.72174161 6.43480604 1.13731307 1 Ti Ti12 1 0.07450889 14.44253904 1.13731307 1 Ti Ti13 1 5.51799211 1.57292696 10.20688993 1 Ti Ti14 1 2.87075939 14.44253904 4.53478843 1 Ti Ti15 1 2.72174161 1.57292696 6.80941457 1 Bi Bi16 1 5.24208048 12.34866100 9.55265840 1 Bi Bi17 1 0.35042052 3.66680500 1.79154460 1 Bi Bi18 1 3.14667102 3.66680500 3.88055690 1 Bi Bi19 1 0.35042052 4.34092800 7.46364610 1 Bi Bi20 1 2.44582998 11.67453800 1.79154460 1 Bi Bi21 1 2.44582998 12.34866100 7.46364610 1 Bi Bi22 1 3.14667102 4.34092800 9.55265840 1 Bi Bi23 1 5.24208048 11.67453800 3.88055690 1 O O24 1 4.98442277 4.90569739 3.47575036 1 O O25 1 1.58569214 15.09098924 0.44409151 1 O O26 1 1.21055836 0.92447676 6.11619301 1 O O27 1 1.36389355 13.54543271 8.84801323 1 O O28 1 1.43235695 2.47003329 3.17591173 1 O O29 1 4.98442277 3.10203561 9.14785186 1 O O30 1 1.43235695 5.53769971 8.84801323 1 O O31 1 3.40432873 11.10976861 9.14785186 1 O O32 1 1.58569214 8.93220976 6.11619301 1 O O33 1 0.60807823 11.10976861 7.86845264 1 O O34 1 3.40432873 12.91343039 3.47575036 1 O O35 1 3.56237280 7.60603308 2.15685063 1 O O36 1 4.38194264 8.93220976 10.90011149 1 O O37 1 4.22860745 5.53769971 8.16829127 1 O O38 1 1.07650611 2.30766850 0.20932323 1 O O39 1 4.38194264 15.09098924 5.22800999 1 O O40 1 0.60807823 12.91343039 2.19635114 1 O O41 1 4.16014405 10.47776629 2.49618977 1 O O42 1 0.76612230 0.40169992 9.18735237 1 O O43 1 1.21055836 7.08325624 0.44409151 1 O O44 1 2.03012820 8.40943292 9.18735237 1 O O45 1 4.51599489 13.70779750 11.13487977 1 O O46 1 4.22860745 2.47003329 2.49618977 1 O O47 1 3.87275661 5.70006450 11.13487977 1 O O48 1 2.03012820 15.61376608 3.51525087 1 O O49 1 0.76612230 7.60603308 3.51525087 1 O O50 1 4.00680886 7.08325624 5.22800999 1 O O51 1 4.00680886 0.92447676 10.90011149 1 O O52 1 3.87275661 2.30766850 5.46277827 1 O O53 1 4.82637870 8.40943292 7.82895213 1 O O54 1 4.82637870 15.61376608 2.15685063 1 O O55 1 3.56237280 0.40169992 7.82895213 1 O O56 1 4.51599489 10.31540150 5.46277827 1 O O57 1 4.16014405 13.54543271 8.16829127 1 O O58 1 1.36389355 10.47776629 3.17591173 1 O O59 1 1.07650611 5.70006450 5.88142473 1 O O60 1 1.71974439 13.70779750 5.88142473 1 O O61 1 2.18817227 4.90569739 2.19635114 1 O O62 1 1.71974439 10.31540150 0.20932323 1 O O63 1 2.18817227 3.10203561 7.86845264 1 [/CIF]
Bi8Ca8O40Ti8
Pbca
61
orthorhombic
mmm
4,928.007868
true
[CIF] data_KMo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93956964 _cell_length_b 3.93956964 _cell_length_c 5.11719592 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMo2Se _chemical_formula_sum 'K1 Mo2 Se1' _cell_volume 79.41994991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1.96978482 2.55859796 1 Mo Mo2 1 1.96978482 0.00000000 2.55859796 1 Se Se3 1 1.96978482 1.96978482 0.00000000 1 [/CIF]
KMo2Se
P4/mmm
123
tetragonal
4/mmm
6,481.130718
false
[CIF] data_VHgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53311982 _cell_length_b 4.06483863 _cell_length_c 5.76941845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VHgSe2 _chemical_formula_sum 'V1 Hg1 Se2' _cell_volume 82.85786036 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 2.03241931 2.88470922 1 Se Se1 1 1.76655991 2.03241931 0.00000000 1 Se Se2 1 1.76655991 0.00000000 2.88470922 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSe2V
Pmmm
47
orthorhombic
mmm
8,205.741841
false
[CIF] data_YMgFeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61111962 _cell_length_b 4.61111962 _cell_length_c 4.61111962 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgFeCo _chemical_formula_sum 'Y1 Mg1 Fe1 Co1' _cell_volume 69.32728096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.89083093 4.89083093 4.89083093 1 Fe Fe1 1 1.63027697 1.63027697 1.63027697 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.26055395 3.26055395 3.26055395 1 [/CIF]
CoFeMgY
F-43m
216
cubic
-43m
5,460.833178
false
[CIF] data_CaYBeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67685949 _cell_length_b 4.67685949 _cell_length_c 4.67685949 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYBeCo _chemical_formula_sum 'Ca1 Y1 Be1 Co1' _cell_volume 72.33491394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 4.96055859 4.96055859 4.96055859 1 Co Co2 1 1.65351953 1.65351953 1.65351953 1 Y Y3 1 3.30703906 3.30703906 3.30703906 1 [/CIF]
BeCaCoY
F-43m
216
cubic
-43m
4,520.758469
false
[CIF] data_AgSnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43245889 _cell_length_b 7.43245889 _cell_length_c 7.43245889 _cell_angle_alpha 157.60318631 _cell_angle_beta 157.60318631 _cell_angle_gamma 31.88234836 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSnW _chemical_formula_sum 'Ag1 Sn1 W1' _cell_volume 59.56030035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.24648424 1 Sn Sn1 1 0.00000000 0.00000000 4.57965573 1 W W2 1 -0.00000000 0.00000000 9.46713530 1 [/CIF]
AgSnW
I4mm
107
tetragonal
4mm
11,442.444897
false
[CIF] data_LiBiMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14564369 _cell_length_b 5.14564369 _cell_length_c 5.14564369 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBiMoPb _chemical_formula_sum 'Li1 Bi1 Mo1 Pb1' _cell_volume 96.33944364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.63851955 3.63851955 3.63851955 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 5.45777933 5.45777933 5.45777933 1 Pb Pb3 1 1.81925978 1.81925978 1.81925978 1 [/CIF]
BiLiMoPb
F-43m
216
cubic
-43m
8,947.06167
false
[CIF] data_Be2InOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81459941 _cell_length_b 2.81459941 _cell_length_c 8.05905644 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.72366960 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2InOs _chemical_formula_sum 'Be2 In1 Os1' _cell_volume 57.99140847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51800305 0.00000000 5.71610813 1 Be Be1 1 1.51800305 0.00000000 2.34294831 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 4.02952822 1 [/CIF]
Be2InOs
Cmmm
65
orthorhombic
mmm
9,250.92692
false
[CIF] data_BaHfTiRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92536522 _cell_length_b 4.92536522 _cell_length_c 4.92536522 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfTiRe _chemical_formula_sum 'Ba1 Hf1 Ti1 Re1' _cell_volume 84.48902946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.22413873 5.22413873 5.22413873 1 Hf Hf1 1 3.48275915 3.48275915 3.48275915 1 Re Re2 1 1.74137958 1.74137958 1.74137958 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHfReTi
F-43m
216
cubic
-43m
10,807.503574
false
[CIF] data_VCoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70972449 _cell_length_b 3.73993195 _cell_length_c 5.48689979 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCoPt2 _chemical_formula_sum 'V1 Co1 Pt2' _cell_volume 55.60525862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35486224 1.86996597 4.08501813 1 Pt Pt1 1 0.00000000 0.00000000 5.34224607 1 Pt Pt2 1 1.35486224 1.86996597 1.46778076 1 V V3 1 0.00000000 0.00000000 2.82220447 1 [/CIF]
CoPt2V
Pmm2
25
orthorhombic
mm2
14,932.768061
false
[CIF] data_TeRhPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79777963 _cell_length_b 5.79777963 _cell_length_c 5.79777963 _cell_angle_alpha 133.80845550 _cell_angle_beta 133.80845550 _cell_angle_gamma 67.38733643 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeRhPb2 _chemical_formula_sum 'Te1 Rh1 Pb2' _cell_volume 99.80332303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 2.27429063 2.41192107 1 Pb Pb1 1 2.27429063 -0.00000000 2.41192107 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 4.82384213 1 [/CIF]
Pb2RhTe
I4/mmm
139
tetragonal
4/mmm
10,730.011231
false
[CIF] data_CaCoRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28843411 _cell_length_b 4.28843411 _cell_length_c 4.28843411 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCoRe _chemical_formula_sum 'Ca1 Co1 Re1' _cell_volume 55.76750660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 4.54857126 4.54857126 4.54857126 1 Re Re2 1 3.03238084 3.03238084 3.03238084 1 [/CIF]
CaCoRe
F-43m
216
cubic
-43m
8,492.686587
false
[CIF] data_ZrHgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07757147 _cell_length_b 4.07757147 _cell_length_c 3.37529028 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHgB2 _chemical_formula_sum 'Zr1 Hg1 B2' _cell_volume 56.11956463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03878574 1.68764514 1 B B1 1 2.03878574 0.00000000 1.68764514 1 Hg Hg2 1 2.03878574 2.03878574 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2HgZr
P4/mmm
123
tetragonal
4/mmm
9,274.354435
false
[CIF] data_HfTlCrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65584500 _cell_length_b 4.65584500 _cell_length_c 4.65584500 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlCrPt _chemical_formula_sum 'Hf1 Tl1 Cr1 Pt1' _cell_volume 71.36422310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.93826936 4.93826936 4.93826936 1 Pt Pt2 1 1.64608979 1.64608979 1.64608978 1 Tl Tl3 1 3.29217957 3.29217957 3.29217957 1 [/CIF]
CrHfPtTl
F-43m
216
cubic
-43m
14,658.07635
false
[CIF] data_MgBiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54677234 _cell_length_b 3.54677234 _cell_length_c 6.58103742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBiP2 _chemical_formula_sum 'Mg1 Bi1 P2' _cell_volume 82.78677905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 3.29051871 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.77338617 1.77338617 1.12138324 1 P P3 1 1.77338617 1.77338617 5.45965418 1 [/CIF]
BiMgP2
P4/mmm
123
tetragonal
4/mmm
5,921.788596
false
[CIF] data_NbOs2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32126080 _cell_length_b 9.32126080 _cell_length_c 9.32126080 _cell_angle_alpha 18.93449082 _cell_angle_beta 18.93449082 _cell_angle_gamma 18.93449082 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbOs2Pb _chemical_formula_sum 'Nb1 Os2 Pb1' _cell_volume 74.52167226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 -0.00000000 -0.00000000 20.28014929 1 Os Os2 1 -0.00000000 -0.00000000 7.17462900 1 Pb Pb3 1 -0.00000000 -0.00000000 13.72738915 1 [/CIF]
NbOs2Pb
R-3m
166
trigonal
-3m
15,164.810801
false
[CIF] data_CuB2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73826908 _cell_length_b 3.73826908 _cell_length_c 2.74268813 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuB2Rh _chemical_formula_sum 'Cu1 B2 Rh1' _cell_volume 38.32812235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86913454 0.00000000 1.37134406 1 B B1 1 0.00000000 1.86913454 1.37134406 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.86913454 1.86913454 0.00000000 1 [/CIF]
B2CuRh
P4/mmm
123
tetragonal
4/mmm
8,148.152714
false
[CIF] data_PdC3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07050931 _cell_length_b 4.07050931 _cell_length_c 4.07050931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdC3Se _chemical_formula_sum 'Pd1 C3 Se1' _cell_volume 67.44445618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 2.03525466 0.00000000 2.03525466 1 C C1 1 2.03525466 2.03525466 0.00000000 1 C C2 1 0.00000000 2.03525466 2.03525466 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 Pd Pd4 1 2.03525466 2.03525466 2.03525466 1 [/CIF]
C3PdSe
Pm-3m
221
cubic
m-3m
5,451.351567
false
[CIF] data_Mg2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15585022 _cell_length_b 3.15585022 _cell_length_c 6.23007926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2PtRh _chemical_formula_sum 'Mg2 Pt1 Rh1' _cell_volume 62.04779289 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57792511 1.57792511 1.52000957 1 Mg Mg1 1 1.57792511 1.57792511 4.71006969 1 Pt Pt2 1 0.00000000 0.00000000 3.11503963 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2PtRh
P4/mmm
123
tetragonal
4/mmm
9,275.785381
false
[CIF] data_NaSc2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00356322 _cell_length_b 5.00356322 _cell_length_c 5.00356322 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSc2Mn _chemical_formula_sum 'Na1 Sc2 Mn1' _cell_volume 88.57745040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76902674 1.76902674 1.76902674 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.30708022 5.30708022 5.30708022 1 Sc Sc3 1 3.53805348 3.53805348 3.53805348 1 [/CIF]
MnNaSc2
F-43m
216
cubic
-43m
3,146.447262
false
[CIF] data_LiTcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17103715 _cell_length_b 4.17103715 _cell_length_c 4.17103715 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTcAg _chemical_formula_sum 'Li1 Tc1 Ag1' _cell_volume 51.31179111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47468433 1.47468433 1.47468433 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.42405298 4.42405298 4.42405298 1 [/CIF]
AgLiTc
F-43m
216
cubic
-43m
6,916.20314
false
[CIF] data_ThTeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86433412 _cell_length_b 4.86433412 _cell_length_c 4.86433412 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThTeRu2 _chemical_formula_sum 'Th1 Te1 Ru2' _cell_volume 81.38702926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15940546 5.15940546 5.15940546 1 Ru Ru1 1 1.71980182 1.71980182 1.71980182 1 Te Te2 1 -0.00000000 0.00000000 0.00000000 1 Th Th3 1 3.43960364 3.43960364 3.43960364 1 [/CIF]
Ru2TeTh
Fm-3m
225
cubic
m-3m
11,461.954366
false
[CIF] data_InCuGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36013750 _cell_length_b 4.36013750 _cell_length_c 4.36013750 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCuGe _chemical_formula_sum 'In1 Cu1 Ge1' _cell_volume 58.61186716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.54154140 1.54154140 1.54154139 1 In In2 1 4.62462419 4.62462419 4.62462419 1 [/CIF]
CuGeIn
F-43m
216
cubic
-43m
7,111.221124
false
[CIF] data_SiW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19579322 _cell_length_b 4.43667828 _cell_length_c 4.34215391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiW3 _chemical_formula_sum 'Si1 W3' _cell_volume 61.56612529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.13167542 1 W W1 1 1.59789661 0.00000000 2.00662083 1 W W2 1 1.59789661 2.21833914 3.84016627 1 W W3 1 0.00000000 2.21833914 1.60061454 1 [/CIF]
SiW3
Pmm2
25
orthorhombic
mm2
15,632.908056
false
[CIF] data_Cr2InGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76320018 _cell_length_b 4.76320018 _cell_length_c 3.00712642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.24152870 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2InGa _chemical_formula_sum 'Cr2 In1 Ga1' _cell_volume 66.67462378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.49488507 -1.85400583 1.50356321 1 Cr Cr1 1 1.49488507 1.85400583 1.50356321 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 2.98977014 -0.00000000 0.00000000 1 [/CIF]
Cr2GaIn
Cmmm
65
orthorhombic
mmm
7,187.039324
false
[CIF] data_LaZrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04487484 _cell_length_b 5.04487484 _cell_length_c 5.04487484 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrGe2 _chemical_formula_sum 'La1 Zr1 Ge2' _cell_volume 90.78961841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.35089782 5.35089782 5.35089782 1 Ge Ge1 1 1.78363261 1.78363261 1.78363261 1 La La2 1 3.56726521 3.56726521 3.56726521 1 Zr Zr3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Ge2LaZr
Fm-3m
225
cubic
m-3m
6,866.226578
false
[CIF] data_Ba2MnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77690024 _cell_length_b 3.77690024 _cell_length_c 8.68901107 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.49178153 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MnSi _chemical_formula_sum 'Ba2 Mn1 Si1' _cell_volume 123.90651952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63567898 0.00000000 2.13419794 1 Ba Ba1 1 2.63567898 0.00000000 6.55481313 1 Mn Mn2 1 0.00000000 0.00000000 4.34450553 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2MnSi
Cmmm
65
orthorhombic
mmm
4,793.432493
false
[CIF] data_NbIn2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09324559 _cell_length_b 4.83472857 _cell_length_c 5.42890071 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.48839597 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbIn2Si _chemical_formula_sum 'Nb1 In2 Si1' _cell_volume 80.49678504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26516698 2.41736429 5.24565524 1 In In1 1 2.22645830 0.00000000 1.52150446 1 Nb Nb2 1 0.67735184 2.41736429 2.74053398 1 Si Si3 1 0.79532781 0.00000000 3.94880411 1 [/CIF]
In2NbSi
Pm
6
monoclinic
m
7,232.975731
false
[CIF] data_HfNi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76834817 _cell_length_b 2.76834817 _cell_length_c 7.54351481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.90123555 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNi2Mo _chemical_formula_sum 'Hf1 Ni2 Mo1' _cell_volume 57.77979824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 3.77175741 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.92477185 0.00000000 1.80793888 1 Ni Ni3 1 1.92477185 0.00000000 5.73557593 1 [/CIF]
HfMoNi2
Cmmm
65
orthorhombic
mmm
11,261.034721
false
[CIF] data_SrCdOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87552854 _cell_length_b 4.87552854 _cell_length_c 4.87552854 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCdOsPt _chemical_formula_sum 'Sr1 Cd1 Os1 Pt1' _cell_volume 81.95021745 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72375965 1.72375965 1.72375965 1 Os Os1 1 5.17127894 5.17127894 5.17127894 1 Pt Pt2 1 3.44751929 3.44751929 3.44751929 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdOsPtSr
F-43m
216
cubic
-43m
11,860.715812
false
[CIF] data_BeMoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08430426 _cell_length_b 4.08430426 _cell_length_c 4.08430426 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeMoCl _chemical_formula_sum 'Be1 Mo1 Cl1' _cell_volume 48.17694587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 2.88803924 2.88803924 2.88803924 1 Mo Mo2 1 1.44401962 1.44401962 1.44401962 1 [/CIF]
BeClMo
F-43m
216
cubic
-43m
4,840.105499
false
[CIF] data_GeAs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16662083 _cell_length_b 3.16662083 _cell_length_c 7.05110624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeAs2W _chemical_formula_sum 'Ge1 As2 W1' _cell_volume 70.70487955 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.58331042 1.58331042 5.01903841 1 As As1 1 1.58331042 1.58331042 2.03206783 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.52555312 1 [/CIF]
As2GeW
P4/mmm
123
tetragonal
4/mmm
9,542.701318
false
[CIF] data_K24Ca5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.52753375 _cell_length_b 13.52753375 _cell_length_c 13.52753375 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural K24Ca5 _chemical_formula_sum 'K24 Ca5' _cell_volume 1905.60984261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.28518127 -5.28518127 5.28518127 1 Ca Ca1 1 -5.28518127 5.28518127 5.28518127 1 Ca Ca2 1 5.28518127 5.28518127 -5.28518127 1 Ca Ca3 1 2.52494398 2.52494398 2.52494398 1 Ca Ca4 1 0.00000000 0.00000000 0.00000000 1 K K5 1 1.40887966 -1.40887966 4.33826645 1 K K6 1 -1.40887966 1.40887966 4.33826645 1 K K7 1 1.40887966 1.40887966 11.28198405 1 K K8 1 6.40124559 6.40124559 3.47185880 1 K K9 1 1.40887966 11.28198405 1.40887966 1 K K10 1 6.40124559 3.47185880 6.40124559 1 K K11 1 -1.40887966 4.33826645 1.40887966 1 K K12 1 1.40887966 4.33826645 -1.40887966 1 K K13 1 4.33826645 -1.40887966 1.40887966 1 K K14 1 4.33826645 1.40887966 -1.40887966 1 K K15 1 3.47185880 6.40124559 6.40124559 1 K K16 1 11.28198405 1.40887966 1.40887966 1 K K17 1 -2.21226210 2.21226210 8.64040912 1 K K18 1 2.21226210 -2.21226210 8.64040912 1 K K19 1 5.59786315 5.59786315 -0.83028387 1 K K20 1 2.21226210 2.21226210 6.97984138 1 K K21 1 5.59786315 -0.83028387 5.59786315 1 K K22 1 2.21226210 6.97984138 2.21226210 1 K K23 1 2.21226210 8.64040912 -2.21226210 1 K K24 1 -2.21226210 8.64040912 2.21226210 1 K K25 1 8.64040912 2.21226210 -2.21226210 1 K K26 1 8.64040912 -2.21226210 2.21226210 1 K K27 1 6.97984138 2.21226210 2.21226210 1 K K28 1 -0.83028387 5.59786315 5.59786315 1 [/CIF]
Ca5K24
I-43m
217
cubic
-43m
992.300465
false
[CIF] data_Cr(InAg)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85598964 _cell_length_b 7.85598964 _cell_length_c 7.85598964 _cell_angle_alpha 152.56961526 _cell_angle_beta 152.56961526 _cell_angle_gamma 39.18205335 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr(InAg)2 _chemical_formula_sum 'Cr1 In2 Ag2' _cell_volume 102.70978994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86262176 3.70060311 1 Ag Ag1 1 1.86262176 0.00000000 3.70060311 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 0.00000000 0.00000000 8.81243077 1 In In4 1 -0.00000000 0.00000000 5.98998167 1 [/CIF]
Ag2CrIn2
I4/mmm
139
tetragonal
4/mmm
8,041.101293
false