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_BeGaP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00018407 _cell_length_b 4.00018407 _cell_length_c 4.00018407 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGaP _chemical_formula_sum 'Be1 Ga1 P1' _cell_volume 45.26108174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.24283592 4.24283592 4.24283592 1 P P2 1 1.41427864 1.41427864 1.41427864 1 [/CIF]
BeGaP
F-43m
216
cubic
-43m
4,025.002949
false
[CIF] data_HfPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02088004 _cell_length_b 5.02088004 _cell_length_c 5.02088004 _cell_angle_alpha 139.13810127 _cell_angle_beta 139.13810127 _cell_angle_gamma 59.16433796 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPdAu _chemical_formula_sum 'Hf1 Pd1 Au1' _cell_volume 53.65238136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01974452 1 Hf Hf1 1 0.00000000 0.00000000 5.85096005 1 Pd Pd2 1 0.00000000 -0.00000000 2.86209818 1 [/CIF]
AuHfPd
I4mm
107
tetragonal
4mm
14,914.060622
false
[CIF] data_CdHgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89420796 _cell_length_b 2.89420796 _cell_length_c 8.48390145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdHgOs2 _chemical_formula_sum 'Cd1 Hg1 Os2' _cell_volume 71.06488905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.99984758 1 Hg Hg1 1 1.44710398 1.44710398 6.56572926 1 Os Os2 1 0.00000000 0.00000000 0.28629239 1 Os Os3 1 1.44710398 1.44710398 1.87398295 1 [/CIF]
CdHgOs2
P4mm
99
tetragonal
4mm
16,203.769499
false
[CIF] data_NiGe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19899841 _cell_length_b 3.19899841 _cell_length_c 6.89400858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGe2Cl _chemical_formula_sum 'Ni1 Ge2 Cl1' _cell_volume 70.55046297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 4.78605253 1 Ge Ge1 1 1.59949921 1.59949921 0.38799908 1 Ge Ge2 1 0.00000000 0.00000000 2.05547492 1 Ni Ni3 1 1.59949921 1.59949921 3.11148634 1 [/CIF]
ClGe2Ni
P4mm
99
tetragonal
4mm
5,635.354809
false
[CIF] data_Nb2OsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97428708 _cell_length_b 2.97428708 _cell_length_c 7.29978038 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2OsCl _chemical_formula_sum 'Nb2 Os1 Cl1' _cell_volume 64.57665747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.48714354 1.48714354 1.88055117 1 Nb Nb2 1 1.48714354 1.48714354 5.41922921 1 Os Os3 1 0.00000000 0.00000000 3.64989019 1 [/CIF]
ClNb2Os
P4/mmm
123
tetragonal
4/mmm
10,581.297269
false
[CIF] data_Na2TcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10336752 _cell_length_b 3.10336752 _cell_length_c 10.44743879 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.91198099 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TcPb _chemical_formula_sum 'Na2 Tc1 Pb1' _cell_volume 96.26667840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84786935 -0.00000000 0.33322336 1 Na Na1 1 0.00000000 0.00000000 7.72603153 1 Pb Pb2 1 1.84786935 -0.00000000 4.85758869 1 Tc Tc3 1 0.00000000 0.00000000 2.75431460 1 [/CIF]
Na2PbTc
Cmm2
35
orthorhombic
mm2
6,073.255392
false
[CIF] data_AlCd2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39386166 _cell_length_b 4.39386166 _cell_length_c 4.36500680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCd2As _chemical_formula_sum 'Al1 Cd2 As1' _cell_volume 84.27090983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 2.19693083 2.19693083 0.00000000 1 Cd Cd2 1 2.19693083 0.00000000 2.18250340 1 Cd Cd3 1 0.00000000 2.19693083 2.18250340 1 [/CIF]
AlAsCd2
P4/mmm
123
tetragonal
4/mmm
6,438.044371
false
[CIF] data_K2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64363054 _cell_length_b 4.64363054 _cell_length_c 8.13402416 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Cu _chemical_formula_sum 'K2 Cu1' _cell_volume 151.89777303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.32181527 1.34050067 6.13359480 1 K K2 1 0.00000000 2.68100134 2.00042936 1 [/CIF]
CuK2
P-3m1
164
trigonal
-3m
1,549.523208
false
[CIF] data_NaMgAlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54073493 _cell_length_b 4.54073493 _cell_length_c 4.54073493 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgAlIr _chemical_formula_sum 'Na1 Mg1 Al1 Ir1' _cell_volume 66.20083278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81617669 4.81617669 4.81617669 1 Ir Ir1 1 3.21078446 3.21078446 3.21078446 1 Mg Mg2 1 1.60539223 1.60539223 1.60539223 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlIrMgNa
F-43m
216
cubic
-43m
6,684.546555
false
[CIF] data_NbTl3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18068638 _cell_length_b 5.18068638 _cell_length_c 5.18068638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTl3Pd _chemical_formula_sum 'Nb1 Tl3 Pd1' _cell_volume 139.04709099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 2.59034319 0.00000000 2.59034319 1 Tl Tl1 1 2.59034319 2.59034319 0.00000000 1 Tl Tl2 1 0.00000000 2.59034319 2.59034319 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 Pd Pd4 1 2.59034319 2.59034319 2.59034319 1 [/CIF]
NbPdTl3
Pm-3m
221
cubic
m-3m
9,702.817902
false
[CIF] data_AlGeBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47637753 _cell_length_b 5.47637753 _cell_length_c 5.47637753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGeBr3 _chemical_formula_sum 'Al1 Ge1 Br3' _cell_volume 164.24045501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73818877 2.73818877 2.73818877 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Br Br2 1 2.73818877 0.00000000 2.73818877 1 Br Br3 1 2.73818877 2.73818877 0.00000000 1 Br Br4 1 0.00000000 2.73818877 2.73818877 1 [/CIF]
AlBr3Ge
Pm-3m
221
cubic
m-3m
3,430.802706
false
[CIF] data_K2BaCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28487270 _cell_length_b 4.28487270 _cell_length_c 11.43869495 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BaCr _chemical_formula_sum 'K2 Ba1 Cr1' _cell_volume 210.01597262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14243635 2.14243635 6.53163483 1 Cr Cr1 1 0.00000000 0.00000000 8.42827317 1 K K2 1 2.14243635 2.14243635 10.72973779 1 K K3 1 0.00000000 0.00000000 2.90709159 1 [/CIF]
BaCrK2
P4mm
99
tetragonal
4mm
2,115.215568
false
[CIF] data_Tc2Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60786012 _cell_length_b 4.60786012 _cell_length_c 5.53531496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2Sn3 _chemical_formula_sum 'Tc2 Sn3' _cell_volume 101.78213172 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 2.30393006 1.33017464 3.53310414 1 Sn Sn2 1 -0.00000000 2.66034928 2.00221082 1 Tc Tc3 1 2.30393006 1.33017464 0.75388571 1 Tc Tc4 1 -0.00000000 2.66034928 4.78142925 1 [/CIF]
Sn3Tc2
P-3m1
164
trigonal
-3m
9,037.372083
false
[CIF] data_Mn3Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28301890 _cell_length_b 5.28301890 _cell_length_c 4.38413605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Nb _chemical_formula_sum 'Mn6 Nb2' _cell_volume 105.96903583 _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 -0.00000000 1.42995393 3.28810204 1 Mn Mn1 1 2.64150945 3.14527465 1.09603401 1 Mn Mn2 1 1.40313302 3.86025161 3.28810204 1 Mn Mn3 1 1.23837643 0.71497696 1.09603401 1 Mn Mn4 1 -1.40313302 3.86025161 3.28810204 1 Mn Mn5 1 4.04464247 0.71497696 1.09603401 1 Nb Nb6 1 2.64150945 1.52507619 3.28810204 1 Nb Nb7 1 0.00000000 3.05015238 1.09603401 1 [/CIF]
Mn6Nb2
P6_3/mmc
194
hexagonal
6/mmm
8,076.981737
false
[CIF] data_NaBeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13010026 _cell_length_b 5.13010026 _cell_length_c 5.13010026 _cell_angle_alpha 147.95426410 _cell_angle_beta 127.70446166 _cell_angle_gamma 62.66363397 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeOs2 _chemical_formula_sum 'Na1 Be1 Os2' _cell_volume 56.11190830 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55884947 1 Na Na1 1 1.41601537 -0.00000000 2.33196001 1 Os Os2 1 0.00000000 0.00000000 8.57514966 1 Os Os3 1 0.00000000 2.26077223 2.06195598 1 [/CIF]
BeNaOs2
Imm2
44
orthorhombic
mm2
12,206.128866
false
[CIF] data_BaLaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11136778 _cell_length_b 5.11136778 _cell_length_c 5.11136778 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaW2 _chemical_formula_sum 'Ba1 La1 W2' _cell_volume 94.42704429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 -0.00000000 0.00000000 1 La La1 1 1.80714141 1.80714141 1.80714141 1 W W2 1 3.61428282 3.61428282 3.61428282 1 W W3 1 5.42142423 5.42142423 5.42142423 1 [/CIF]
BaLaW2
F-43m
216
cubic
-43m
11,323.470092
false
[CIF] data_Ti3Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64885588 _cell_length_b 5.64885588 _cell_length_c 13.07878507 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Fe _chemical_formula_sum 'Ti18 Fe6' _cell_volume 361.42569479 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.80908880 1 Fe Fe1 1 0.00000000 0.00000000 3.26969627 1 Fe Fe2 1 0.00000000 3.26136847 1.14237603 1 Fe Fe3 1 0.00000000 3.26136847 5.39701651 1 Fe Fe4 1 2.82442794 1.63068423 11.93640904 1 Fe Fe5 1 2.82442794 1.63068423 7.68176856 1 Ti Ti6 1 4.15336534 2.39794659 9.80908880 1 Ti Ti7 1 -1.32893739 2.49410610 3.26969627 1 Ti Ti8 1 -0.00000000 1.63364195 11.98816729 1 Ti Ti9 1 -0.00000000 1.63364195 7.63001032 1 Ti Ti10 1 -1.40965251 4.07523172 11.98816729 1 Ti Ti11 1 -1.40965251 4.07523172 7.63001032 1 Ti Ti12 1 1.41477543 0.81682098 1.09061778 1 Ti Ti13 1 1.41477543 0.81682098 5.44877475 1 Ti Ti14 1 2.82442794 0.09615951 9.80908880 1 Ti Ti15 1 0.00000000 4.79589319 3.26969627 1 Ti Ti16 1 1.49549055 2.39794659 9.80908880 1 Ti Ti17 1 1.32893739 2.49410610 3.26969627 1 Ti Ti18 1 1.40965251 4.07523172 11.98816729 1 Ti Ti19 1 1.40965251 4.07523172 7.63001032 1 Ti Ti20 1 4.23408045 0.81682098 1.09061778 1 Ti Ti21 1 4.23408045 0.81682098 5.44877475 1 Ti Ti22 1 2.82442794 3.25841075 1.09061778 1 Ti Ti23 1 2.82442794 3.25841075 5.44877475 1 [/CIF]
Fe6Ti18
P6_3/mmc
194
hexagonal
6/mmm
5,498.024233
false
[CIF] data_K2AlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90829391 _cell_length_b 2.90829391 _cell_length_c 12.03036680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AlCr _chemical_formula_sum 'K2 Al1 Cr1' _cell_volume 101.75492927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 0.00000000 0.00000000 6.01518340 1 K K2 1 1.45414695 1.45414695 8.95733724 1 K K3 1 1.45414695 1.45414695 3.07302956 1 [/CIF]
AlCrK2
P4/mmm
123
tetragonal
4/mmm
2,564.92698
false
[CIF] data_AlAgMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25408420 _cell_length_b 5.25408420 _cell_length_c 5.25408420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAgMo4 _chemical_formula_sum 'Al1 Ag1 Mo4' _cell_volume 102.55954568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.57279786 5.57279786 5.57279786 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.63805196 4.63805196 2.79234518 1 Mo Mo3 1 4.63805196 2.79234518 4.63805196 1 Mo Mo4 1 2.79234518 4.63805196 4.63805196 1 Mo Mo5 1 2.79234518 2.79234518 2.79234518 1 [/CIF]
AgAlMo4
F-43m
216
cubic
-43m
8,398.092724
false
[CIF] data_BaTaTcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84781473 _cell_length_b 4.84781473 _cell_length_c 4.84781473 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaTcPt _chemical_formula_sum 'Ba1 Ta1 Tc1 Pt1' _cell_volume 80.56066531 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42792267 3.42792267 3.42792267 1 Pt Pt1 1 1.71396133 1.71396133 1.71396133 1 Ta Ta2 1 5.14188400 5.14188400 5.14188400 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPtTaTc
F-43m
216
cubic
-43m
12,620.179842
false
[CIF] data_LiSb2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97984923 _cell_length_b 7.97984923 _cell_length_c 7.97984923 _cell_angle_alpha 26.80237407 _cell_angle_beta 26.80237407 _cell_angle_gamma 26.80237407 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSb2P _chemical_formula_sum 'Li1 Sb2 P1' _cell_volume 91.10543409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 0.00000000 0.00000000 11.53316183 1 Sb Sb2 1 0.00000000 0.00000000 5.57160128 1 Sb Sb3 1 -0.00000000 0.00000000 17.49472238 1 [/CIF]
LiPSb2
R-3m
166
trigonal
-3m
5,129.588827
false
[CIF] data_Co2Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51060971 _cell_length_b 4.51060971 _cell_length_c 4.51060971 _cell_angle_alpha 50.47880364 _cell_angle_beta 50.47880364 _cell_angle_gamma 50.47880364 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2Ni3 _chemical_formula_sum 'Co2 Ni3' _cell_volume 50.30912000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71117820 1 Co Co1 1 0.00000000 -0.00000000 7.06676729 1 Ni Ni2 1 0.00000000 -0.00000000 9.42235639 1 Ni Ni3 1 0.00000000 -0.00000000 0.00000000 1 Ni Ni4 1 0.00000000 0.00000000 2.35558910 1 [/CIF]
Co2Ni3
R-3m
166
trigonal
-3m
9,702.212962
false
[CIF] data_CaNbTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56213526 _cell_length_b 3.56213526 _cell_length_c 7.56695471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbTe2 _chemical_formula_sum 'Ca1 Nb1 Te2' _cell_volume 96.01563251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 0.00000000 3.78347736 1 Te Te2 1 1.78106763 1.78106763 5.43295362 1 Te Te3 1 1.78106763 1.78106763 2.13400109 1 [/CIF]
CaNbTe2
P4/mmm
123
tetragonal
4/mmm
6,713.441459
false
[CIF] data_Fe2BTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07667848 _cell_length_b 4.07667848 _cell_length_c 4.07667848 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2BTe _chemical_formula_sum 'Fe2 B1 Te1' _cell_volume 47.90759677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.32397050 4.32397050 4.32397050 1 Fe Fe2 1 1.44132350 1.44132350 1.44132350 1 Te Te3 1 2.88264700 2.88264700 2.88264700 1 [/CIF]
BFe2Te
Fm-3m
225
cubic
m-3m
8,668.82309
false
[CIF] data_B6H10N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59402099 _cell_length_b 7.59402099 _cell_length_c 7.59402099 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B6H10N _chemical_formula_sum 'B12 H20 N2' _cell_volume 309.67088990 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.43931087 5.36978374 4.48590880 1 B B1 1 4.48590880 1.43931087 5.36978374 1 B B2 1 5.36978374 4.48590880 1.43931087 1 B B3 1 1.43931087 5.36978374 6.25365868 1 B B4 1 5.36978374 6.25365868 1.43931087 1 B B5 1 6.25365868 1.43931087 5.36978374 1 B B6 1 9.30025661 5.36978374 4.48590880 1 B B7 1 4.48590880 9.30025661 5.36978374 1 B B8 1 5.36978374 4.48590880 9.30025661 1 B B9 1 9.30025661 5.36978374 6.25365868 1 B B10 1 5.36978374 6.25365868 9.30025661 1 B B11 1 6.25365868 9.30025661 5.36978374 1 H H12 1 3.86591534 2.47094712 5.36978374 1 H H13 1 2.47094712 5.36978374 3.86591534 1 H H14 1 5.36978374 3.86591534 2.47094712 1 H H15 1 7.45694894 7.45694894 8.65240228 1 H H16 1 8.65240228 7.45694894 7.45694894 1 H H17 1 7.45694894 8.65240228 7.45694894 1 H H18 1 2.47094712 5.36978374 6.87365214 1 H H19 1 5.36978374 6.87365214 2.47094712 1 H H20 1 6.87365214 2.47094712 5.36978374 1 H H21 1 8.65240228 8.65240228 8.65240228 1 H H22 1 2.08716520 2.08716520 2.08716520 1 H H23 1 8.26862036 5.36978374 3.86591534 1 H H24 1 3.86591534 8.26862036 5.36978374 1 H H25 1 5.36978374 3.86591534 8.26862036 1 H H26 1 3.28261854 2.08716520 3.28261854 1 H H27 1 2.08716520 3.28261854 3.28261854 1 H H28 1 3.28261854 3.28261854 2.08716520 1 H H29 1 8.26862036 5.36978374 6.87365214 1 H H30 1 5.36978374 6.87365214 8.26862036 1 H H31 1 6.87365214 8.26862036 5.36978374 1 N N32 1 8.05467561 8.05467561 8.05467561 1 N N33 1 2.68489187 2.68489187 2.68489187 1 [/CIF]
B12H20N2
Fm-3
202
cubic
m-3
953.970437
false
[CIF] data_SrLiNiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66106144 _cell_length_b 4.66106144 _cell_length_c 4.66106144 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiNiMo _chemical_formula_sum 'Sr1 Li1 Ni1 Mo1' _cell_volume 71.60436281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.29586815 3.29586815 3.29586815 1 Ni Ni2 1 4.94380223 4.94380223 4.94380223 1 Sr Sr3 1 1.64793408 1.64793408 1.64793408 1 [/CIF]
LiMoNiSr
F-43m
216
cubic
-43m
5,779.399899
false
[CIF] data_AsIrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95206324 _cell_length_b 2.95206324 _cell_length_c 6.97403313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsIrW2 _chemical_formula_sum 'As1 Ir1 W2' _cell_volume 60.77644872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 3.48701656 1 W W2 1 1.47603162 1.47603162 5.33951392 1 W W3 1 1.47603162 1.47603162 1.63451921 1 [/CIF]
AsIrW2
P4/mmm
123
tetragonal
4/mmm
17,344.565334
false
[CIF] data_TaVTcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62535766 _cell_length_b 4.62535766 _cell_length_c 4.62535766 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaVTcPb _chemical_formula_sum 'Ta1 V1 Tc1 Pb1' _cell_volume 69.97146473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.90593265 4.90593265 4.90593265 1 Ta Ta1 1 3.27062177 3.27062177 3.27062177 1 Tc Tc2 1 1.63531088 1.63531088 1.63531088 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbTaTcV
F-43m
216
cubic
-43m
12,767.528616
false
[CIF] data_MgCrReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25004941 _cell_length_b 4.25004941 _cell_length_c 4.25004941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrReNi _chemical_formula_sum 'Mg1 Cr1 Re1 Ni1' _cell_volume 54.28338733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.50785814 4.50785814 4.50785814 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 3.00523876 3.00523876 3.00523876 1 Re Re3 1 1.50261938 1.50261938 1.50261938 1 [/CIF]
CrMgNiRe
F-43m
216
cubic
-43m
9,825.614525
false
[CIF] data_Ba2MnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94090818 _cell_length_b 3.94090818 _cell_length_c 9.10502896 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MnPb _chemical_formula_sum 'Ba2 Mn1 Pb1' _cell_volume 141.40799483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97045409 1.97045409 7.07717639 1 Ba Ba1 1 1.97045409 1.97045409 2.02785257 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 4.55251448 1 [/CIF]
Ba2MnPb
P4/mmm
123
tetragonal
4/mmm
6,303.49198
false
[CIF] data_Y2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.93914064 _cell_length_b 15.93914064 _cell_length_c 15.93914064 _cell_angle_alpha 164.58795396 _cell_angle_beta 164.58795396 _cell_angle_gamma 21.86266493 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Rh _chemical_formula_sum 'Y8 Rh4' _cell_volume 285.95469270 _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 Rh Rh0 1 -0.00000000 2.13728508 5.47904805 1 Rh Rh1 1 -0.00000000 2.13728508 10.17087940 1 Rh Rh2 1 0.00000000 -0.00000000 28.95393923 1 Rh Rh3 1 0.00000000 -0.00000000 2.34591567 1 Y Y4 1 2.13728508 0.00000000 15.61103441 1 Y Y5 1 2.13728508 0.00000000 0.03889304 1 Y Y6 1 -0.00000000 0.00000000 23.43599813 1 Y Y7 1 -0.00000000 0.00000000 7.86385677 1 Y Y8 1 2.13728508 0.00000000 10.51108003 1 Y Y9 1 2.13728508 -0.00000000 5.13884742 1 Y Y10 1 -0.00000000 0.00000000 18.33604375 1 Y Y11 1 -0.00000000 0.00000000 12.96381115 1 [/CIF]
Rh4Y8
I4_1/amd
141
tetragonal
4/mmm
6,520.499774
false
[CIF] data_ScNbMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54898254 _cell_length_b 4.54898254 _cell_length_c 4.54898254 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbMoRu _chemical_formula_sum 'Sc1 Nb1 Mo1 Ru1' _cell_volume 66.56222200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 3.21661640 3.21661640 3.21661640 1 Nb Nb1 1 4.82492460 4.82492460 4.82492460 1 Ru Ru2 1 1.60830820 1.60830820 1.60830820 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoNbRuSc
F-43m
216
cubic
-43m
8,354.614934
false
[CIF] data_NiB2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50776591 _cell_length_b 5.50776591 _cell_length_c 5.50776591 _cell_angle_alpha 31.96203100 _cell_angle_beta 31.96203100 _cell_angle_gamma 31.96203100 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiB2As _chemical_formula_sum 'Ni1 B2 As1' _cell_volume 41.59608745 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.83303969 1 B B1 1 -0.00000000 0.00000000 4.02854563 1 B B2 1 -0.00000000 0.00000000 11.63753375 1 Ni Ni3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
AsB2Ni
R-3m
166
trigonal
-3m
6,197.147829
false
[CIF] data_ZrTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81641157 _cell_length_b 5.81641157 _cell_length_c 4.72803454 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.35765084 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi _chemical_formula_sum 'Zr2 Ti2' _cell_volume 81.52416216 _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 Ti Ti0 1 1.53686752 -4.89698893 1.18200864 1 Ti Ti1 1 1.53686752 4.89698893 3.54602591 1 Zr Zr2 1 1.53686752 -1.94910093 1.18200864 1 Zr Zr3 1 1.53686752 1.94910093 3.54602591 1 [/CIF]
Ti2Zr2
Cmcm
63
orthorhombic
mmm
5,666.198418
false
[CIF] data_YRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92943397 _cell_length_b 4.52070085 _cell_length_c 5.23678327 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.06926300 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRu3 _chemical_formula_sum 'Y1 Ru3' _cell_volume 68.06099282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70763397 2.26035043 1.46756630 1 Ru Ru1 1 0.21636110 2.26035043 3.67179083 1 Ru Ru2 1 0.96199754 0.00000000 2.56967856 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru3Y
P2/m
10
monoclinic
2/m
9,566.767403
false
[CIF] data_LaBeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26938422 _cell_length_b 3.38333333 _cell_length_c 7.25047967 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeAg2 _chemical_formula_sum 'La1 Be1 Ag2' _cell_volume 80.20057618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.39322418 1 Ag Ag1 1 1.63469211 1.69166667 2.10476545 1 Be Be2 1 0.00000000 0.00000000 3.08593023 1 La La3 1 1.63469211 1.69166667 5.29179964 1 [/CIF]
Ag2BeLa
Pmm2
25
orthorhombic
mm2
7,529.394287
false
[CIF] data_VSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54946270 _cell_length_b 5.20386862 _cell_length_c 5.11195570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSn3 _chemical_formula_sum 'V1 Sn3' _cell_volume 94.42261456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 0.00000000 2.60193431 0.02965297 1 Sn Sn1 1 1.77473135 2.60193431 2.50077992 1 Sn Sn2 1 1.77473135 0.00000000 4.34063540 1 V V3 1 0.00000000 0.00000000 1.64885789 1 [/CIF]
Sn3V
Pmm2
25
orthorhombic
mm2
7,158.858414
false
[CIF] data_Sc3Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54218047 _cell_length_b 5.54218047 _cell_length_c 5.54218047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Zn _chemical_formula_sum 'Sc6 Zn2' _cell_volume 170.23230937 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 2.77109024 4.15663535 0.00000000 1 Sc Sc1 1 2.77109024 1.38554512 0.00000000 1 Sc Sc2 1 4.15663535 0.00000000 2.77109024 1 Sc Sc3 1 0.00000000 2.77109024 4.15663535 1 Sc Sc4 1 0.00000000 2.77109024 1.38554512 1 Sc Sc5 1 1.38554512 0.00000000 2.77109024 1 Zn Zn6 1 2.77109024 2.77109024 2.77109024 1 Zn Zn7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc6Zn2
Pm-3n
223
cubic
m-3m
3,906.651914
false
[CIF] data_TaAlNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39386027 _cell_length_b 4.39386027 _cell_length_c 2.85990968 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlNi2 _chemical_formula_sum 'Ta1 Al1 Ni2' _cell_volume 55.21343949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 2.19693014 1.42995484 1 Ni Ni2 1 2.19693014 0.00000000 1.42995484 1 Ta Ta3 1 2.19693014 2.19693014 0.00000000 1 [/CIF]
AlNi2Ta
P4/mmm
123
tetragonal
4/mmm
9,784.082089
false
[CIF] data_GaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20091462 _cell_length_b 4.02069207 _cell_length_c 4.93771768 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaNi _chemical_formula_sum 'Ga4 Ni4' _cell_volume 103.25397805 _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 Ga Ga0 1 0.85551400 1.00517302 0.71018719 1 Ga Ga1 1 1.74494331 3.01551905 3.17904603 1 Ga Ga2 1 3.45597131 1.00517302 1.75867165 1 Ga Ga3 1 4.34540062 3.01551905 4.22753049 1 Ni Ni4 1 0.23360267 1.00517302 3.25383231 1 Ni Ni5 1 2.36685464 3.01551905 0.78497347 1 Ni Ni6 1 2.83405998 1.00517302 4.15274421 1 Ni Ni7 1 4.96731195 3.01551905 1.68388537 1 [/CIF]
Ga4Ni4
Pnma
62
orthorhombic
mmm
8,260.81292
false
[CIF] data_YMnGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33793115 _cell_length_b 3.33793115 _cell_length_c 6.90287461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMnGa2 _chemical_formula_sum 'Y1 Mn1 Ga2' _cell_volume 76.91034016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.31949755 1 Ga Ga1 1 1.66896557 1.66896557 1.84995838 1 Mn Mn2 1 0.00000000 0.00000000 3.11036420 1 Y Y3 1 1.66896557 1.66896557 5.07449178 1 [/CIF]
Ga2MnY
P4mm
99
tetragonal
4mm
6,116.511094
false
[CIF] data_CaTeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11332521 _cell_length_b 5.11332521 _cell_length_c 5.11332521 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTeAs _chemical_formula_sum 'Ca1 Te1 As1' _cell_volume 94.53556995 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 3.61566693 3.61566693 3.61566693 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.80783347 1.80783347 1.80783346 1 [/CIF]
AsCaTe
F-43m
216
cubic
-43m
4,261.317868
false
[CIF] data_SrCaTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81025397 _cell_length_b 6.81025397 _cell_length_c 6.81025397 _cell_angle_alpha 144.98689558 _cell_angle_beta 131.85213073 _cell_angle_gamma 60.90682431 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaTl2 _chemical_formula_sum 'Sr1 Ca1 Tl2' _cell_volume 133.64331513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.65698471 1 Sr Sr1 1 -0.00000000 2.77800574 3.11916565 1 Tl Tl2 1 -0.00000000 -0.00000000 0.24316037 1 Tl Tl3 1 2.04862561 -0.00000000 2.72213319 1 [/CIF]
CaSrTl2
Imm2
44
orthorhombic
mm2
6,665.656455
false
[CIF] data_ZnB2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79111128 _cell_length_b 6.79111128 _cell_length_c 6.79111128 _cell_angle_alpha 23.86277460 _cell_angle_beta 23.86277460 _cell_angle_gamma 23.86277460 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnB2Pd _chemical_formula_sum 'Zn1 B2 Pd1' _cell_volume 45.03202256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 -0.00000000 0.00000000 4.88823271 1 B B1 1 -0.00000000 0.00000000 14.89606121 1 Pd Pd2 1 -0.00000000 -0.00000000 9.89214696 1 Zn Zn3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
B2PdZn
R-3m
166
trigonal
-3m
7,132.364246
false
[CIF] data_SiPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05085144 _cell_length_b 6.05085144 _cell_length_c 6.05085144 _cell_angle_alpha 153.35078893 _cell_angle_beta 153.35078893 _cell_angle_gamma 38.04391347 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPtW _chemical_formula_sum 'Si1 Pt1 W1' _cell_volume 44.49816631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 11.40748776 1 Si Si1 1 0.00000000 -0.00000000 3.79903391 1 W W2 1 0.00000000 0.00000000 7.67522668 1 [/CIF]
PtSiW
I4mm
107
tetragonal
4mm
15,190.550865
false
[CIF] data_CaRe2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14278959 _cell_length_b 3.14278959 _cell_length_c 8.09139638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRe2Hg _chemical_formula_sum 'Ca1 Re2 Hg1' _cell_volume 79.91974485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88365479 1 Hg Hg1 1 1.57139480 1.57139480 6.29888256 1 Re Re2 1 0.00000000 0.00000000 0.32823437 1 Re Re3 1 1.57139480 1.57139480 1.62632285 1 [/CIF]
CaHgRe2
P4mm
99
tetragonal
4mm
12,738.361639
false
[CIF] data_ScZn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19473568 _cell_length_b 4.56685503 _cell_length_c 5.81887366 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.27172093 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZn2Pb _chemical_formula_sum 'Sc1 Zn2 Pb1' _cell_volume 84.87584263 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53279610 0.00000000 2.90872019 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.61787070 2.28342752 1.22641492 1 Zn Zn3 1 1.44772151 2.28342752 4.59102546 1 [/CIF]
PbScZn2
P2/m
10
monoclinic
2/m
7,491.493592
false
[CIF] data_LiZrCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47574026 _cell_length_b 4.47574026 _cell_length_c 4.47574026 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrCr _chemical_formula_sum 'Li1 Zr1 Cr1' _cell_volume 63.39859427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16482629 3.16482629 3.16482629 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 4.74723944 4.74723944 4.74723944 1 [/CIF]
CrLiZr
F-43m
216
cubic
-43m
3,933.026839
false
[CIF] data_ScBiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37359477 _cell_length_b 5.37359477 _cell_length_c 5.37359477 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBiTe2 _chemical_formula_sum 'Sc1 Bi1 Te2' _cell_volume 109.71846917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.79970530 3.79970530 3.79970530 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.89985265 1.89985265 1.89985265 1 Te Te3 1 5.69955795 5.69955795 5.69955795 1 [/CIF]
BiScTe2
Fm-3m
225
cubic
m-3m
7,705.546228
false
[CIF] data_VRuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39076704 _cell_length_b 5.39076704 _cell_length_c 3.17034403 _cell_angle_alpha 103.87883302 _cell_angle_beta 103.87883302 _cell_angle_gamma 107.88954601 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRuPb2 _chemical_formula_sum 'V1 Ru1 Pb2' _cell_volume 80.06501954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.94037142 -2.17908296 1.44755217 1 Pb Pb1 1 0.94037142 2.17908296 1.44755217 1 Ru Ru2 1 3.17281564 -0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2RuV
C2/m
12
monoclinic
2/m
11,747.307738
false
[CIF] data_Si2WAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22946636 _cell_length_b 3.22946636 _cell_length_c 5.83259040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2WAu _chemical_formula_sum 'Si2 W1 Au1' _cell_volume 60.83072727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91629520 1 Si Si1 1 1.61473318 1.61473318 4.53395785 1 Si Si2 1 1.61473318 1.61473318 1.29863255 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuSi2W
P4/mmm
123
tetragonal
4/mmm
11,928.485499
false
[CIF] data_AcPrZr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49712921 _cell_length_b 5.49712921 _cell_length_c 5.49712921 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcPrZr2 _chemical_formula_sum 'Ac1 Pr1 Zr2' _cell_volume 117.46076867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88705734 3.88705734 3.88705734 1 Pr Pr1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.94352867 1.94352867 1.94352867 1 Zr Zr3 1 5.83058602 5.83058602 5.83058602 1 [/CIF]
AcPrZr2
Fm-3m
225
cubic
m-3m
7,780.359926
false
[CIF] data_ZrTaFeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75405196 _cell_length_b 4.75405196 _cell_length_c 4.75405196 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaFeBi _chemical_formula_sum 'Zr1 Ta1 Fe1 Bi1' _cell_volume 75.97606120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68081119 1.68081119 1.68081119 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.04243357 5.04243357 5.04243357 1 Zr Zr3 1 3.36162238 3.36162238 3.36162238 1 [/CIF]
BiFeTaZr
F-43m
216
cubic
-43m
11,736.656889
false
[CIF] data_ReHg2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45102232 _cell_length_b 7.45102232 _cell_length_c 4.33329454 _cell_angle_alpha 105.65241565 _cell_angle_beta 105.65241565 _cell_angle_gamma 21.82856549 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReHg2Cl _chemical_formula_sum 'Re1 Hg2 Cl1' _cell_volume 86.00997964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 1.84177683 0.00000000 2.91314500 1 Hg Hg2 1 11.60004909 -0.00000000 1.25335969 1 Re Re3 1 6.72091296 0.00000000 2.08325235 1 [/CIF]
ClHg2Re
C2/m
12
monoclinic
2/m
12,024.769178
false
[CIF] data_YMnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04315424 _cell_length_b 4.10710282 _cell_length_c 8.17018052 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMnGe _chemical_formula_sum 'Y4 Mn4 Ge4' _cell_volume 236.33847399 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 5.43097123 1.02677570 1.06882767 1 Ge Ge1 1 1.90939411 1.02677570 3.01626259 1 Ge Ge2 1 5.13376013 3.08032711 5.15391793 1 Ge Ge3 1 1.61218301 3.08032711 7.10135285 1 Mn Mn4 1 1.06245735 1.02677570 0.43323616 1 Mn Mn5 1 4.58403447 1.02677570 3.65185410 1 Mn Mn6 1 2.45911977 3.08032711 4.51832642 1 Mn Mn7 1 5.98069689 3.08032711 7.73694436 1 Y Y8 1 3.35252839 3.08032711 1.49456336 1 Y Y9 1 6.87410551 3.08032711 2.59052690 1 Y Y10 1 0.16904873 1.02677570 5.57965362 1 Y Y11 1 3.69062585 1.02677570 6.67561716 1 [/CIF]
Ge4Mn4Y4
Pnma
62
orthorhombic
mmm
6,084.154795
false
[CIF] data_CoAgCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49321905 _cell_length_b 4.49321905 _cell_length_c 4.49321905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAgCl _chemical_formula_sum 'Co1 Ag1 Cl1' _cell_volume 64.14425669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58859283 1.58859283 1.58859283 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 3.17718566 3.17718566 3.17718566 1 [/CIF]
AgClCo
F-43m
216
cubic
-43m
5,235.875223
false
[CIF] data_BaAl2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59429399 _cell_length_b 9.59429399 _cell_length_c 9.59429399 _cell_angle_alpha 20.00457146 _cell_angle_beta 20.00457146 _cell_angle_gamma 20.00457146 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl2Tc _chemical_formula_sum 'Ba1 Al2 Tc1' _cell_volume 90.41735249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -0.00000000 -0.00000000 20.49876013 1 Al Al1 1 0.00000000 0.00000000 7.69931221 1 Ba Ba2 1 -0.00000000 -0.00000000 14.09903617 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2BaTc
R-3m
166
trigonal
-3m
5,329.532901
false
[CIF] data_Li2SnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64905566 _cell_length_b 9.64905566 _cell_length_c 9.64905566 _cell_angle_alpha 19.94619155 _cell_angle_beta 19.94619155 _cell_angle_gamma 19.94619155 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SnPb _chemical_formula_sum 'Li2 Sn1 Pb1' _cell_volume 91.45487929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 21.21087679 1 Li Li1 1 0.00000000 0.00000000 7.15157072 1 Pb Pb2 1 -0.00000000 0.00000000 14.18122375 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2PbSn
R-3m
166
trigonal
-3m
6,169.576679
false
[CIF] data_TiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19144063 _cell_length_b 3.19144063 _cell_length_c 3.19144063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGe _chemical_formula_sum 'Ti1 Ge1' _cell_volume 32.50575885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59572031 1.59572031 1.59572031 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeTi
Pm-3m
221
cubic
m-3m
6,156.034758
false
[CIF] data_TiAsIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16732324 _cell_length_b 4.16732324 _cell_length_c 4.16732324 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAsIr _chemical_formula_sum 'Ti1 As1 Ir1' _cell_volume 51.17484843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.42011378 4.42011378 4.42011378 1 Ir Ir1 1 2.94674252 2.94674252 2.94674252 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsIrTi
F-43m
216
cubic
-43m
10,221.409951
false
[CIF] data_YTiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71051022 _cell_length_b 4.71051022 _cell_length_c 4.71051022 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiW2 _chemical_formula_sum 'Y1 Ti1 W2' _cell_volume 73.90755812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 3.33083372 3.33083372 3.33083372 1 W W2 1 1.66541686 1.66541686 1.66541686 1 Y Y3 1 4.99625058 4.99625058 4.99625058 1 [/CIF]
TiW2Y
F-43m
216
cubic
-43m
11,333.937774
false
[CIF] data_MgAsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56138256 _cell_length_b 6.56138256 _cell_length_c 6.56138256 _cell_angle_alpha 146.22247863 _cell_angle_beta 146.22247863 _cell_angle_gamma 48.51642564 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAsCl2 _chemical_formula_sum 'Mg1 As1 Cl2' _cell_volume 86.94310537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90617675 0.00000000 2.99101661 1 Cl Cl1 1 0.00000000 -0.00000000 5.98203322 1 Cl Cl2 1 0.00000000 1.90617675 2.99101661 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCl2Mg
I-4m2
119
tetragonal
-42m
3,249.387374
false
[CIF] data_HfCoTcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40503299 _cell_length_b 4.40503299 _cell_length_c 4.40503299 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoTcRh _chemical_formula_sum 'Hf1 Co1 Tc1 Rh1' _cell_volume 60.44111932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.11482870 3.11482870 3.11482870 1 Rh Rh2 1 1.55741435 1.55741435 1.55741435 1 Tc Tc3 1 4.67224305 4.67224305 4.67224305 1 [/CIF]
CoHfRhTc
F-43m
216
cubic
-43m
12,067.392377
false
[CIF] data_VGaBiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64163448 _cell_length_b 4.64163448 _cell_length_c 4.64163448 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGaBiRh _chemical_formula_sum 'V1 Ga1 Bi1 Rh1' _cell_volume 70.71276451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64106561 1.64106561 1.64106561 1 Ga Ga1 1 4.92319683 4.92319683 4.92319683 1 Rh Rh2 1 3.28213122 3.28213122 3.28213122 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGaRhV
F-43m
216
cubic
-43m
10,157.527321
false
[CIF] data_HfCu2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82796591 _cell_length_b 5.82796591 _cell_length_c 5.82796591 _cell_angle_alpha 35.63097037 _cell_angle_beta 35.63097037 _cell_angle_gamma 35.63097037 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCu2P _chemical_formula_sum 'Hf1 Cu2 P1' _cell_volume 60.04838473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.18831581 1 Cu Cu1 1 0.00000000 -0.00000000 4.32864406 1 Hf Hf2 1 0.00000000 0.00000000 8.05449591 1 P P3 1 0.00000000 -0.00000000 11.96324991 1 [/CIF]
Cu2HfP
R3m
160
trigonal
3m
9,306.894661
false
[CIF] data_YSc4Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06451767 _cell_length_b 6.06451767 _cell_length_c 6.06451767 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSc4Ti _chemical_formula_sum 'Y1 Sc4 Ti1' _cell_volume 157.71529034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21692856 3.21692856 5.35959458 1 Sc Sc1 1 3.21692856 5.35959458 3.21692856 1 Sc Sc2 1 5.35959458 3.21692856 3.21692856 1 Sc Sc3 1 5.35959458 5.35959458 5.35959458 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 Y Y5 1 2.14413079 2.14413079 2.14413079 1 [/CIF]
Sc4TiY
F-43m
216
cubic
-43m
3,333.353742
false
[CIF] data_GaCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01619304 _cell_length_b 5.01619304 _cell_length_c 3.58829308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCuTe2 _chemical_formula_sum 'Ga1 Cu1 Te2' _cell_volume 90.28932164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.50809652 2.50809652 0.00000000 1 Te Te2 1 2.50809652 0.00000000 1.79414654 1 Te Te3 1 0.00000000 2.50809652 1.79414654 1 [/CIF]
CuGaTe2
P4/mmm
123
tetragonal
4/mmm
7,144.454504
false
[CIF] data_TlInRePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75409135 _cell_length_b 4.75409135 _cell_length_c 4.75409135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlInRePd _chemical_formula_sum 'Tl1 In1 Re1 Pd1' _cell_volume 75.97794953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36165023 3.36165023 3.36165023 1 Pd Pd1 1 -0.00000000 -0.00000000 0.00000000 1 Re Re2 1 5.04247534 5.04247535 5.04247535 1 Tl Tl3 1 1.68082511 1.68082511 1.68082511 1 [/CIF]
InPdReTl
F-43m
216
cubic
-43m
13,371.837494
false
[CIF] data_TiCoBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48820609 _cell_length_b 4.48820609 _cell_length_c 4.48820609 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCoBiRu _chemical_formula_sum 'Ti1 Co1 Bi1 Ru1' _cell_volume 63.92980409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17364096 3.17364096 3.17364096 1 Co Co1 1 1.58682048 1.58682048 1.58682048 1 Ru Ru2 1 4.76046144 4.76046144 4.76046144 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCoRuTi
F-43m
216
cubic
-43m
10,827.449071
false
[CIF] data_SbBr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57262166 _cell_length_b 4.57262166 _cell_length_c 4.69047407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbBr2Cl _chemical_formula_sum 'Sb1 Br2 Cl1' _cell_volume 98.07250715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.28631083 0.00000000 2.34523703 1 Br Br1 1 0.00000000 2.28631083 2.34523703 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 2.28631083 2.28631083 0.00000000 1 [/CIF]
Br2ClSb
P4/mmm
123
tetragonal
4/mmm
5,367.719973
false
[CIF] data_Cs2ZrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34326608 _cell_length_b 5.34326608 _cell_length_c 5.34326608 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2ZrRu _chemical_formula_sum 'Cs2 Zr1 Ru1' _cell_volume 107.87117418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 5.66738952 5.66738952 5.66738952 1 Cs Cs1 1 1.88912984 1.88912984 1.88912984 1 Ru Ru2 1 3.77825968 3.77825968 3.77825968 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs2RuZr
Fm-3m
225
cubic
m-3m
7,051.940383
false
[CIF] data_SnMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43699230 _cell_length_b 4.43699230 _cell_length_c 4.43699230 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMoPt _chemical_formula_sum 'Sn1 Mo1 Pt1' _cell_volume 61.76622027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 3.13742734 3.13742734 3.13742734 1 Sn Sn2 1 1.56871367 1.56871367 1.56871367 1 [/CIF]
MoPtSn
F-43m
216
cubic
-43m
11,015.932685
false
[CIF] data_LiVInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40774964 _cell_length_b 4.40774964 _cell_length_c 4.40774964 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVInIr _chemical_formula_sum 'Li1 V1 In1 Ir1' _cell_volume 60.55301304 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67512449 4.67512449 4.67512449 1 Ir Ir1 1 3.11674966 3.11674966 3.11674966 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.55837483 1.55837483 1.55837483 1 [/CIF]
InIrLiV
F-43m
216
cubic
-43m
10,007.095178
false
[CIF] data_CrW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84578388 _cell_length_b 4.84578388 _cell_length_c 2.85644255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.41926457 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrW3 _chemical_formula_sum 'Cr1 W3' _cell_volume 63.25813006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 1.39975413 -1.97764854 1.42822128 1 W W2 1 1.39975413 1.97764853 1.42822128 1 W W3 1 2.79950825 0.00000000 0.00000000 1 [/CIF]
CrW3
Cmmm
65
orthorhombic
mmm
15,842.423108
false
[CIF] data_LaFe4Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02662659 _cell_length_b 5.02662659 _cell_length_c 5.02662659 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFe4Si _chemical_formula_sum 'La1 Fe4 Si1' _cell_volume 89.80796912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66438817 4.44433533 2.66438817 1 Fe Fe1 1 4.44433533 2.66438817 2.66438817 1 Fe Fe2 1 4.44433533 4.44433533 4.44433533 1 Fe Fe3 1 2.66438817 2.66438817 4.44433533 1 La La4 1 1.77718088 1.77718088 1.77718088 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe4LaSi
F-43m
216
cubic
-43m
7,217.91454
false
[CIF] data_CaV2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47701332 _cell_length_b 5.47701332 _cell_length_c 5.47701332 _cell_angle_alpha 147.63563913 _cell_angle_beta 128.43579562 _cell_angle_gamma 62.20571986 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV2Ru _chemical_formula_sum 'Ca1 V2 Ru1' _cell_volume 68.21060565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 4.68964501 1 V V2 1 1.52640216 0.00000000 2.64658222 1 V V3 1 -0.00000000 2.38222607 2.04306279 1 [/CIF]
CaRuV2
Immm
71
orthorhombic
mmm
5,916.418218
false
[CIF] data_KHfZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09146365 _cell_length_b 5.09146365 _cell_length_c 5.09146365 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfZnHg _chemical_formula_sum 'K1 Hf1 Zn1 Hg1' _cell_volume 93.32821157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.40031271 5.40031271 5.40031271 1 Hg Hg1 1 1.80010424 1.80010424 1.80010424 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.60020847 3.60020847 3.60020847 1 [/CIF]
HfHgKZn
F-43m
216
cubic
-43m
8,603.694796
false
[CIF] data_HfIr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50510818 _cell_length_b 5.50510818 _cell_length_c 5.50510818 _cell_angle_alpha 146.95108210 _cell_angle_beta 130.14635731 _cell_angle_gamma 61.12191001 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfIr2Br _chemical_formula_sum 'Hf1 Ir2 Br1' _cell_volume 68.88575335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 -0.00000000 4.77264840 1 Hf Hf1 1 0.00000000 2.32018495 2.28786841 1 Ir Ir2 1 0.00000000 0.00000000 9.46018278 1 Ir Ir3 1 1.56578835 0.00000000 2.44084666 1 [/CIF]
BrHfIr2
Imm2
44
orthorhombic
mm2
15,495.8167
false
[CIF] data_TaAlRePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46652677 _cell_length_b 4.46652677 _cell_length_c 4.46652677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlRePt _chemical_formula_sum 'Ta1 Al1 Re1 Pt1' _cell_volume 63.00787415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.57915569 1.57915569 1.57915569 1 Re Re2 1 4.73746706 4.73746706 4.73746706 1 Ta Ta3 1 3.15831137 3.15831137 3.15831137 1 [/CIF]
AlPtReTa
F-43m
216
cubic
-43m
15,528.591261
false
[CIF] data_NaCuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65962912 _cell_length_b 6.65962912 _cell_length_c 4.36253380 _cell_angle_alpha 93.15017073 _cell_angle_beta 93.15017073 _cell_angle_gamma 35.24564172 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCuBr2 _chemical_formula_sum 'Na1 Cu1 Br2' _cell_volume 111.46899897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06043399 0.00000000 3.38990603 1 Br Br1 1 3.43745154 0.00000000 1.39225321 1 Cu Cu2 1 5.53584501 -0.00000000 2.51322935 1 Na Na3 1 9.37870137 0.00000000 3.59280140 1 [/CIF]
Br2CuNa
Cm
8
monoclinic
m
3,669.750841
false
[CIF] data_CeTl2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49871972 _cell_length_b 5.49871972 _cell_length_c 5.49871972 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeTl2Te _chemical_formula_sum 'Ce1 Tl2 Te1' _cell_volume 117.56275418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88818200 3.88818200 3.88818200 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.94409100 1.94409100 1.94409100 1 Tl Tl3 1 5.83227300 5.83227300 5.83227300 1 [/CIF]
CeTeTl2
Fm-3m
225
cubic
m-3m
9,555.116269
false
[CIF] data_TeMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35041163 _cell_length_b 5.35041163 _cell_length_c 5.35041163 _cell_angle_alpha 145.15459495 _cell_angle_beta 129.70245983 _cell_angle_gamma 62.64531133 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeMo2Os _chemical_formula_sum 'Te1 Mo2 Os1' _cell_volume 66.59563937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.27376490 2.40430418 1 Mo Mo1 1 1.60201421 0.00000000 2.16630281 1 Os Os2 1 -0.00000000 0.00000000 4.57060699 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2OsTe
Immm
71
orthorhombic
mmm
12,710.43866
false
[CIF] data_Li2CoP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23377470 _cell_length_b 5.23377470 _cell_length_c 11.53629031 _cell_angle_alpha 95.53928262 _cell_angle_beta 95.53928262 _cell_angle_gamma 55.25606360 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CoP2O7 _chemical_formula_sum 'Li4 Co2 P4 O14' _cell_volume 258.11920063 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 5.18174632 -1.10598515 7.57839697 1 Li Li1 1 2.20692168 -1.10598515 9.62302703 1 Li Li2 1 5.81019232 1.10598515 1.84458897 1 Li Li3 1 2.83536768 1.10598515 3.88921903 1 Co Co4 1 1.69005550 -1.21352800 5.73380800 1 Co Co5 1 2.31850150 1.21352800 0.00000000 1 P P6 1 4.65324196 -1.42251937 4.27440478 1 P P7 1 3.99231804 -1.42251937 1.45940322 1 P P8 1 4.02479596 1.42251937 10.00821278 1 P P9 1 3.36387204 1.42251937 7.19321122 1 O O10 1 4.72714955 1.98228343 6.82604109 1 O O11 1 7.57880326 -0.05298991 1.83995605 1 O O12 1 3.45239793 -0.38047501 0.52299210 1 O O13 1 2.66151845 1.98228343 10.37538291 1 O O14 1 4.32278000 -0.54472845 2.86690400 1 O O15 1 5.19316207 -0.38047501 5.21081590 1 O O16 1 1.06675674 -0.05298991 3.89385195 1 O O17 1 6.95035726 0.05298991 7.57376405 1 O O18 1 2.82395193 0.38047501 6.25680010 1 O O19 1 3.69433400 0.54472845 8.60071200 1 O O20 1 5.35559555 -1.98228343 1.09223309 1 O O21 1 4.56471607 0.38047501 10.94462390 1 O O22 1 0.43831074 0.05298991 9.62765995 1 O O23 1 3.28996445 -1.98228343 4.64157491 1 [/CIF]
Co2Li4O14P4
C2/c
15
monoclinic
2/m
3,174.906476
false
[CIF] data_SrTiBeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60125053 _cell_length_b 4.60125053 _cell_length_c 4.60125053 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiBeRu _chemical_formula_sum 'Sr1 Ti1 Be1 Ru1' _cell_volume 68.88309352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.88036318 4.88036318 4.88036318 1 Sr Sr2 1 3.25357545 3.25357545 3.25357545 1 Ti Ti3 1 1.62678773 1.62678773 1.62678773 1 [/CIF]
BeRuSrTi
F-43m
216
cubic
-43m
5,919.844761
false
[CIF] data_Cr2TeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40619392 _cell_length_b 4.40619392 _cell_length_c 3.01796718 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2TeOs _chemical_formula_sum 'Cr2 Te1 Os1' _cell_volume 58.59245920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20309696 1.50898359 1 Cr Cr1 1 2.20309696 0.00000000 1.50898359 1 Os Os2 1 2.20309696 2.20309696 0.00000000 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2OsTe
P4/mmm
123
tetragonal
4/mmm
11,954.64829
false
[CIF] data_TlReCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48519798 _cell_length_b 5.48519798 _cell_length_c 3.30378165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlReCl2 _chemical_formula_sum 'Tl1 Re1 Cl2' _cell_volume 99.40218971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 2.74259899 0.00000000 1.65189082 1 Cl Cl1 1 0.00000000 2.74259899 1.65189082 1 Re Re2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.74259899 2.74259899 0.00000000 1 [/CIF]
Cl2ReTl
P4/mmm
123
tetragonal
4/mmm
7,709.414023
false
[CIF] data_BaLaMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17035835 _cell_length_b 4.17035835 _cell_length_c 7.02203479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaMo2 _chemical_formula_sum 'Ba1 La1 Mo2' _cell_volume 122.12644828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 0.00000000 3.51101740 1 Mo Mo2 1 2.08517918 2.08517918 4.60635181 1 Mo Mo3 1 2.08517918 2.08517918 2.41568298 1 [/CIF]
BaLaMo2
P4/mmm
123
tetragonal
4/mmm
6,365.756615
false
[CIF] data_LiVSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60561400 _cell_length_b 10.66757200 _cell_length_c 10.42850213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.54462704 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVSiO4 _chemical_formula_sum 'Li8 V8 Si8 O32' _cell_volume 623.57843177 _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 Li Li0 1 4.98612291 1.69019144 1.81606245 1 Li Li1 1 4.93655941 3.64359456 7.03007795 1 Li Li2 1 3.47265229 6.60763278 4.29278239 1 Li Li3 1 3.42308879 9.39372522 9.50679789 1 Li Li4 1 2.08339821 1.27384678 0.92123311 1 Li Li5 1 2.03383471 4.05993922 6.13524861 1 Li Li6 1 0.56992759 7.02397744 3.39795305 1 Li Li7 1 0.52036409 8.97738056 8.61196855 1 V V8 1 4.68724525 9.30486435 5.04088933 1 V V9 1 4.63768175 6.69649365 10.25490483 1 V V10 1 3.68767606 4.35232671 2.40004262 1 V V11 1 3.63811256 0.98145929 7.61405812 1 V V12 1 1.86837444 9.68611271 2.81397288 1 V V13 1 1.81881094 6.31524529 8.02798838 1 V V14 1 0.86880525 3.97107835 0.17312617 1 V V15 1 0.81924175 1.36270765 5.38714167 1 Si Si16 1 4.93100818 9.60541252 1.69992547 1 Si Si17 1 4.88144468 6.39594548 6.91394097 1 Si Si18 1 3.37742129 1.54942216 4.38153536 1 Si Si19 1 3.32785779 3.78436384 9.59555086 1 Si Si20 1 2.17862921 6.88320816 0.83248014 1 Si Si21 1 2.12906571 9.11814984 6.04649564 1 Si Si22 1 0.62504232 4.27162652 3.51409003 1 Si Si23 1 0.57547882 1.06215948 8.72810553 1 O O24 1 4.95242525 8.57568247 0.42814367 1 O O25 1 4.94090418 5.33908778 3.60031941 1 O O26 1 4.90286175 7.42567553 5.64215917 1 O O27 1 4.89134068 10.66227022 8.81433491 1 O O28 1 5.30695929 8.85929054 3.16599192 1 O O29 1 4.74442606 0.66306427 4.47499137 1 O O30 1 5.25739579 7.14206746 8.38000742 1 O O31 1 4.69486256 4.67072173 9.68900687 1 O O32 1 3.59434301 2.63549834 3.21968586 1 O O33 1 3.52543283 10.45284444 1.75490205 1 O O34 1 3.54477951 2.69828766 8.43370136 1 O O35 1 3.47586933 5.54851356 6.96891755 1 O O36 1 3.51194044 5.98051822 1.23180073 1 O O37 1 2.93595169 3.26383966 0.67401578 1 O O38 1 3.46237694 10.02083978 6.44581623 1 O O39 1 2.88638819 2.06994634 5.88803128 1 O O40 1 2.62009881 8.59762566 4.53999972 1 O O41 1 2.04411006 0.64673222 3.98221477 1 O O42 1 2.57053531 7.40373234 9.75401522 1 O O43 1 1.99454656 4.68705378 9.19623027 1 O O44 1 2.03061767 5.11905844 3.45911345 1 O O45 1 1.96170749 7.96928434 1.99432964 1 O O46 1 1.98105417 0.21472756 8.67312895 1 O O47 1 1.91214399 8.03207366 7.20834514 1 O O48 1 0.81162444 5.99685027 0.73902413 1 O O49 1 0.24909121 3.52550454 2.04802358 1 O O50 1 0.76206094 10.00450773 5.95303963 1 O O51 1 0.19952771 1.80828146 7.26203908 1 O O52 1 0.61514632 0.00530178 1.61369609 1 O O53 1 0.60362525 3.24189647 4.78587183 1 O O54 1 0.56558282 5.32848422 6.82771159 1 O O55 1 0.55406175 2.09188953 9.99988733 1 [/CIF]
Li8O32Si8V8
P2_1/c
14
monoclinic
2/m
3,194.770374
true
[CIF] data_LiTiTcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30445465 _cell_length_b 4.30445465 _cell_length_c 4.30445465 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiTcRu _chemical_formula_sum 'Li1 Ti1 Tc1 Ru1' _cell_volume 56.39484548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.56556360 4.56556361 4.56556361 1 Tc Tc2 1 3.04370907 3.04370907 3.04370907 1 Ti Ti3 1 1.52185453 1.52185453 1.52185453 1 [/CIF]
LiRuTcTi
F-43m
216
cubic
-43m
7,502.088427
false
[CIF] data_CaGdIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83171579 _cell_length_b 4.83171579 _cell_length_c 4.83171579 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGdIr2 _chemical_formula_sum 'Ca1 Gd1 Ir2' _cell_volume 79.76073427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 3.41653900 3.41653900 3.41653900 1 Ir Ir2 1 5.12480850 5.12480850 5.12480850 1 Ir Ir3 1 1.70826950 1.70826950 1.70826950 1 [/CIF]
CaGdIr2
Fm-3m
225
cubic
m-3m
12,111.705556
false
[CIF] data_VGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17264573 _cell_length_b 6.17264573 _cell_length_c 6.17264573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGe2 _chemical_formula_sum 'V4 Ge8' _cell_volume 235.18740268 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.44891217 4.53523503 4.72373356 1 Ge Ge1 1 4.72373356 1.63741070 1.44891217 1 Ge Ge2 1 4.53523503 4.72373356 1.44891217 1 Ge Ge3 1 1.63741070 1.44891217 4.72373356 1 Ge Ge4 1 4.72373356 1.44891217 4.53523503 1 Ge Ge5 1 1.44891217 4.72373356 1.63741070 1 Ge Ge6 1 1.63741070 1.63741070 1.63741070 1 Ge Ge7 1 4.53523503 4.53523503 4.53523503 1 V V8 1 3.08632287 0.00000000 3.08632287 1 V V9 1 0.00000000 3.08632287 3.08632287 1 V V10 1 0.00000000 0.00000000 0.00000000 1 V V11 1 3.08632287 3.08632287 0.00000000 1 [/CIF]
Ge8V4
Pa-3
205
cubic
m-3
5,541.682297
false
[CIF] data_NaPIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36500064 _cell_length_b 5.36500064 _cell_length_c 5.36500064 _cell_angle_alpha 149.00548758 _cell_angle_beta 126.80653388 _cell_angle_gamma 62.84935979 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPIr2 _chemical_formula_sum 'Na1 P1 Ir2' _cell_volume 63.05263376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 2.40195426 1.79656193 1 Ir Ir1 1 1.43348648 0.00000000 2.78153419 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 0.00000000 0.00000000 4.57809612 1 [/CIF]
Ir2NaP
Immm
71
orthorhombic
mmm
11,545.903434
false
[CIF] data_ReHg2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00985268 _cell_length_b 5.00985268 _cell_length_c 2.78979979 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReHg2B _chemical_formula_sum 'Re1 Hg2 B1' _cell_volume 70.02013562 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 2.50492634 1.39489990 1 Hg Hg2 1 2.50492634 0.00000000 1.39489990 1 Re Re3 1 2.50492634 2.50492634 0.00000000 1 [/CIF]
BHg2Re
P4/mmm
123
tetragonal
4/mmm
14,186.364248
false
[CIF] data_KSrMgBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46507760 _cell_length_b 5.46507760 _cell_length_c 5.46507760 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrMgBe _chemical_formula_sum 'K1 Sr1 Mg1 Be1' _cell_volume 115.41812131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 3.86439343 3.86439343 3.86439343 1 Mg Mg2 1 1.93219671 1.93219672 1.93219672 1 Sr Sr3 1 5.79659015 5.79659015 5.79659015 1 [/CIF]
BeKMgSr
F-43m
216
cubic
-43m
2,302.456208
false
[CIF] data_Na2CrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69705002 _cell_length_b 4.69705002 _cell_length_c 4.69705002 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CrRh _chemical_formula_sum 'Na2 Cr1 Rh1' _cell_volume 73.27579808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32131592 3.32131592 3.32131592 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 4.98197388 4.98197388 4.98197388 1 Rh Rh3 1 1.66065796 1.66065796 1.66065796 1 [/CIF]
CrNa2Rh
F-43m
216
cubic
-43m
4,552.266738
false
[CIF] data_TaTiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91365397 _cell_length_b 4.05113230 _cell_length_c 4.05519415 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiPd2 _chemical_formula_sum 'Ta1 Ti1 Pd2' _cell_volume 64.29400838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 2.02556615 2.02759708 1 Pd Pd1 1 1.95682699 0.00000000 2.02759708 1 Ta Ta2 1 1.95682699 2.02556615 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2TaTi
Pmmm
47
orthorhombic
mmm
11,406.742256
false
[CIF] data_MnVMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35533142 _cell_length_b 4.35533142 _cell_length_c 4.35533142 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVMoPt _chemical_formula_sum 'Mn1 V1 Mo1 Pt1' _cell_volume 58.41826126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53984219 1.53984219 1.53984219 1 Mo Mo1 1 4.61952657 4.61952657 4.61952657 1 Pt Pt2 1 3.07968438 3.07968438 3.07968438 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnMoPtV
F-43m
216
cubic
-43m
11,282.551701
false
[CIF] data_Hf2TiBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60535867 _cell_length_b 5.60535867 _cell_length_c 5.60535867 _cell_angle_alpha 146.87966803 _cell_angle_beta 130.60292818 _cell_angle_gamma 60.76860539 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TiBe _chemical_formula_sum 'Hf2 Ti1 Be1' _cell_volume 72.37664557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59765076 -0.00000000 2.04497052 1 Hf Hf2 1 0.00000000 2.34216470 2.79050489 1 Ti Ti3 1 -0.00000000 0.00000000 4.83547541 1 [/CIF]
BeHf2Ti
Immm
71
orthorhombic
mmm
9,495.509536
false
[CIF] data_LiBeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.58849069 _cell_length_b 4.10536331 _cell_length_c 5.38368029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeW2 _chemical_formula_sum 'Li1 Be1 W2' _cell_volume 57.21072684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29424534 2.05268166 2.68214484 1 Li Li1 1 0.00000000 0.00000000 3.96340637 1 W W2 1 1.29424534 2.05268166 0.04733773 1 W W3 1 0.00000000 0.00000000 1.38263155 1 [/CIF]
BeLiW2
Pmm2
25
orthorhombic
mm2
11,134.937819
false
[CIF] data_V2InCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54983651 _cell_length_b 4.54983651 _cell_length_c 4.54983651 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2InCl _chemical_formula_sum 'V2 In1 Cl1' _cell_volume 66.59971566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 3.21722025 3.21722025 3.21722025 1 V V2 1 4.82583037 4.82583037 4.82583037 1 V V3 1 1.60861012 1.60861012 1.60861012 1 [/CIF]
ClInV2
Fm-3m
225
cubic
m-3m
6,286.98767
false