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_TiNbGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84835549 _cell_length_b 4.02481611 _cell_length_c 5.66780997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbGa2 _chemical_formula_sum 'Ti1 Nb1 Ga2' _cell_volume 64.97638030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.42417774 2.01240805 1.38597802 1 Ga Ga1 1 1.42417774 2.01240805 4.28183195 1 Nb Nb2 1 0.00000000 0.00000000 2.83390499 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2NbTi
Pmmm
47
orthorhombic
mmm
7,161.76782
false
[CIF] data_BaCa2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81903957 _cell_length_b 5.81903957 _cell_length_c 5.81903957 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCa2Sn _chemical_formula_sum 'Ba1 Ca2 Sn1' _cell_volume 139.32817019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.11468234 4.11468234 4.11468234 1 Ca Ca1 1 6.17202351 6.17202351 6.17202351 1 Ca Ca2 1 2.05734117 2.05734117 2.05734117 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCa2Sn
Fm-3m
225
cubic
m-3m
4,006.810752
false
[CIF] data_La2FeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73098157 _cell_length_b 3.74962004 _cell_length_c 7.73786721 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.74984480 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2FeTe _chemical_formula_sum 'La2 Fe1 Te1' _cell_volume 106.99109776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.38397136 1.87481002 1.68526304 1 La La2 1 1.16992037 1.87481002 5.96255027 1 Te Te3 1 -0.58854492 0.00000000 3.82390665 1 [/CIF]
FeLa2Te
P2/m
10
monoclinic
2/m
7,158.852691
false
[CIF] data_Sc2TiCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14916278 _cell_length_b 3.14916278 _cell_length_c 8.66513664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TiCd _chemical_formula_sum 'Sc2 Ti1 Cd1' _cell_volume 85.93412013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57458139 1.57458139 6.37404956 1 Sc Sc1 1 0.00000000 0.00000000 8.55902944 1 Sc Sc2 1 1.57458139 1.57458139 2.37005022 1 Ti Ti3 1 0.00000000 0.00000000 4.35971238 1 [/CIF]
CdSc2Ti
P4mm
99
tetragonal
4mm
4,834.540332
false
[CIF] data_In2SnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31097297 _cell_length_b 5.31097297 _cell_length_c 5.31097297 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2SnTe _chemical_formula_sum 'In2 Sn1 Te1' _cell_volume 105.92714688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 5.63313750 5.63313750 5.63313750 1 In In1 1 1.87771250 1.87771250 1.87771250 1 Sn Sn2 1 -0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.75542500 3.75542500 3.75542500 1 [/CIF]
In2SnTe
Fm-3m
225
cubic
m-3m
7,461.042328
false
[CIF] data_Hf3Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.48295051 _cell_length_b 9.48295051 _cell_length_c 9.48295051 _cell_angle_alpha 153.25532719 _cell_angle_beta 153.25532719 _cell_angle_gamma 38.18288575 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Cd _chemical_formula_sum 'Hf6 Cd2' _cell_volume 172.42118490 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 6.72991070 1 Cd Cd1 1 0.00000000 0.00000000 11.19282350 1 Hf Hf2 1 0.00000000 2.19319972 -0.00000000 1 Hf Hf3 1 0.00000000 -0.00000000 2.23800608 1 Hf Hf4 1 -0.00000000 0.00000000 15.68472812 1 Hf Hf5 1 0.00000000 2.19319973 4.48068355 1 Hf Hf6 1 2.19319972 -0.00000000 4.48068355 1 Hf Hf7 1 2.19319972 0.00000000 -0.00000000 1 [/CIF]
Cd2Hf6
I4/mmm
139
tetragonal
4/mmm
12,479.112838
false
[CIF] data_NbGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69431638 _cell_length_b 5.69431638 _cell_length_c 5.69431638 _cell_angle_alpha 149.85235277 _cell_angle_beta 149.85235277 _cell_angle_gamma 43.15817604 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGeRh _chemical_formula_sum 'Nb1 Ge1 Rh1' _cell_volume 46.44986948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12158980 1 Nb Nb1 1 -0.00000000 0.00000000 3.56256527 1 Rh Rh2 1 -0.00000000 0.00000000 6.90625722 1 [/CIF]
GeNbRh
I4mm
107
tetragonal
4mm
9,596.901761
false
[CIF] data_InCu2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37530005 _cell_length_b 4.37530005 _cell_length_c 3.31131910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCu2Ag _chemical_formula_sum 'In1 Cu2 Ag1' _cell_volume 63.38941111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 0.00000000 2.18765002 1.65565955 1 Cu Cu2 1 2.18765002 0.00000000 1.65565955 1 In In3 1 2.18765002 2.18765002 0.00000000 1 [/CIF]
AgCu2In
P4/mmm
123
tetragonal
4/mmm
9,162.734842
false
[CIF] data_C2I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76737960 _cell_length_b 7.76737960 _cell_length_c 7.76737960 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C2I _chemical_formula_sum 'C16 I8' _cell_volume 331.36649427 _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 C C0 1 1.37309170 4.11927509 4.11927509 1 C C1 1 4.11927509 1.37309170 4.11927509 1 C C2 1 1.37309170 1.37309170 1.37309170 1 C C3 1 4.11927509 4.11927509 1.37309170 1 C C4 1 2.74618340 2.74618340 4.76827325 1 C C5 1 0.72409354 2.74618340 2.74618340 1 C C6 1 2.74618340 0.72409354 2.74618340 1 C C7 1 2.74618340 4.76827325 2.74618340 1 C C8 1 4.76827325 2.74618340 2.74618340 1 C C9 1 2.74618340 2.74618340 0.72409354 1 C C10 1 5.49236679 5.49236679 8.96264372 1 C C11 1 2.02208986 5.49236679 5.49236679 1 C C12 1 5.49236679 2.02208986 5.49236679 1 C C13 1 5.49236679 8.96264372 5.49236679 1 C C14 1 8.96264372 5.49236679 5.49236679 1 C C15 1 5.49236679 5.49236679 2.02208986 1 I I16 1 6.65689256 6.65689256 4.32784102 1 I I17 1 4.32784102 4.32784102 4.32784102 1 I I18 1 6.65689256 4.32784102 6.65689256 1 I I19 1 4.32784102 6.65689256 6.65689256 1 I I20 1 7.07402442 7.07402442 9.40307595 1 I I21 1 9.40307595 9.40307595 9.40307595 1 I I22 1 7.07402442 9.40307595 7.07402442 1 I I23 1 9.40307595 7.07402442 7.07402442 1 [/CIF]
C16I8
Fd-3m
227
cubic
m-3m
6,050.540598
false
[CIF] data_Nb3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.87281972 _cell_length_b 9.87281972 _cell_length_c 9.87281972 _cell_angle_alpha 157.78031239 _cell_angle_beta 157.78031239 _cell_angle_gamma 31.62683820 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Ru _chemical_formula_sum 'Nb6 Ru2' _cell_volume 137.51470825 _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 Nb Nb0 1 0.00000000 1.90239913 -0.00000000 1 Nb Nb1 1 -0.00000000 0.00000000 2.35368229 1 Nb Nb2 1 0.00000000 0.00000000 16.64466757 1 Nb Nb3 1 -0.00000000 1.90239913 4.74958747 1 Nb Nb4 1 1.90239912 0.00000000 4.74958747 1 Nb Nb5 1 1.90239913 0.00000000 -0.00000000 1 Ru Ru6 1 -0.00000000 0.00000000 7.09188604 1 Ru Ru7 1 0.00000000 -0.00000000 11.90646382 1 [/CIF]
Nb6Ru2
I4/mmm
139
tetragonal
4/mmm
9,172.178192
false
[CIF] data_Sc2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48174239 _cell_length_b 4.48174239 _cell_length_c 3.17382487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CoRu _chemical_formula_sum 'Sc2 Co1 Ru1' _cell_volume 63.74949347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 2.24087119 2.24087119 0.00000000 1 Sc Sc2 1 2.24087119 0.00000000 1.58691243 1 Sc Sc3 1 0.00000000 2.24087119 1.58691243 1 [/CIF]
CoRuSc2
P4/mmm
123
tetragonal
4/mmm
6,509.756075
false
[CIF] data_ScSiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93716087 _cell_length_b 5.93716087 _cell_length_c 5.93716087 _cell_angle_alpha 141.99048785 _cell_angle_beta 141.99048785 _cell_angle_gamma 54.84312826 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSiCl2 _chemical_formula_sum 'Sc1 Si1 Cl2' _cell_volume 78.80024112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.93341649 -0.00000000 2.63503703 1 Cl Cl1 1 0.00000000 -0.00000000 5.27007406 1 Sc Sc2 1 0.00000000 1.93341649 2.63503703 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2ScSi
I-4m2
119
tetragonal
-42m
3,033.370175
false
[CIF] data_Ce2AgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44600161 _cell_length_b 5.44600161 _cell_length_c 5.44600161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2AgPb _chemical_formula_sum 'Ce2 Ag1 Pb1' _cell_volume 114.21372592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92545234 1.92545234 1.92545234 1 Ce Ce1 1 5.77635701 5.77635701 5.77635701 1 Ag Ag2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.85090467 3.85090467 3.85090467 1 [/CIF]
AgCe2Pb
Fm-3m
225
cubic
m-3m
8,655.030507
false
[CIF] data_Ca3CuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47027686 _cell_length_b 5.47027686 _cell_length_c 5.47027686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3CuPb _chemical_formula_sum 'Ca3 Cu1 Pb1' _cell_volume 163.69217596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73513843 2.73513843 2.73513843 1 Ca Ca1 1 0.00000000 2.73513843 0.00000000 1 Ca Ca2 1 0.00000000 0.00000000 2.73513843 1 Ca Ca3 1 2.73513843 0.00000000 0.00000000 1 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca3CuPb
Pm-3m
221
cubic
m-3m
3,966.210116
false
[CIF] data_TiTlGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63253170 _cell_length_b 4.63253170 _cell_length_c 4.63253170 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTlGaW _chemical_formula_sum 'Ti1 Tl1 Ga1 W1' _cell_volume 70.29755206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.91354187 4.91354187 4.91354187 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.63784729 1.63784729 1.63784729 1 W W3 1 3.27569458 3.27569458 3.27569458 1 [/CIF]
GaTiTlW
F-43m
216
cubic
-43m
11,948.108013
false
[CIF] data_KB2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57483558 _cell_length_b 4.57483558 _cell_length_c 2.72214049 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KB2Pt _chemical_formula_sum 'K1 B2 Pt1' _cell_volume 56.97200656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.28741779 0.00000000 1.36107025 1 B B1 1 0.00000000 2.28741779 1.36107025 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.28741779 2.28741779 0.00000000 1 [/CIF]
B2KPt
P4/mmm
123
tetragonal
4/mmm
7,455.820133
false
[CIF] data_TaAs5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05590288 _cell_length_b 5.05590288 _cell_length_c 4.97097767 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAs5 _chemical_formula_sum 'Ta1 As5' _cell_volume 110.04489219 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.54441791 0.00000000 2.48548883 1 As As1 1 0.75574248 1.30898438 2.48548883 1 As As2 1 -1.77220895 3.06955595 2.48548883 1 As As3 1 2.52795144 1.45951344 0.00000000 1 As As4 1 0.00000000 2.91902689 0.00000000 1 Ta Ta5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As5Ta
P-62m
189
hexagonal
-6m2
8,383.144585
false
[CIF] data_Cd2InPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73240081 _cell_length_b 5.29051072 _cell_length_c 5.50854336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2InPb _chemical_formula_sum 'Cd2 In1 Pb1' _cell_volume 108.77338554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.86620041 0.00000000 2.75427168 1 In In2 1 1.86620041 2.64525536 0.00000000 1 Pb Pb3 1 0.00000000 2.64525536 2.75427168 1 [/CIF]
Cd2InPb
Pmmm
47
orthorhombic
mmm
8,348.08238
false
[CIF] data_NaZnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61112376 _cell_length_b 4.61112376 _cell_length_c 3.01730313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.00051104 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnPd2 _chemical_formula_sum 'Na1 Zn1 Pd2' _cell_volume 63.67702056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 1.52770382 1.72677057 1.50865156 1 Pd Pd2 1 1.52770382 -1.72677057 1.50865156 1 Zn Zn3 1 3.05540765 -0.00000000 0.00000000 1 [/CIF]
NaPd2Zn
Cmmm
65
orthorhombic
mmm
7,854.807379
false
[CIF] data_ZrIn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10340350 _cell_length_b 6.10340350 _cell_length_c 3.35518574 _cell_angle_alpha 100.15185370 _cell_angle_beta 100.15185370 _cell_angle_gamma 119.57359325 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrIn2Bi _chemical_formula_sum 'Zr1 In2 Bi1' _cell_volume 101.81690479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07134921 -0.00000000 0.00000000 1 In In1 1 0.94808051 -2.63715511 1.57132142 1 In In2 1 0.94808051 2.63715511 1.57132142 1 Zr Zr3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
BiIn2Zr
C2/m
12
monoclinic
2/m
8,641.204376
false
[CIF] data_Si2TcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09059681 _cell_length_b 3.09059681 _cell_length_c 6.20307080 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2TcAg _chemical_formula_sum 'Si2 Tc1 Ag1' _cell_volume 59.25042121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10153540 1 Si Si1 1 1.54529841 1.54529841 4.86865151 1 Si Si2 1 1.54529841 1.54529841 1.33441929 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgSi2Tc
P4/mmm
123
tetragonal
4/mmm
7,369.249031
false
[CIF] data_SrMnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30093682 _cell_length_b 7.24894416 _cell_length_c 3.66404490 _cell_angle_alpha 76.20264021 _cell_angle_beta 74.62893445 _cell_angle_gamma 29.16842533 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnCl _chemical_formula_sum 'Sr1 Mn1 Cl1' _cell_volume 91.11969473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51681724 2.66286613 13.10675109 1 Mn Mn1 1 2.51681724 2.66286613 9.31783758 1 Sr Sr2 1 2.51681724 2.66286613 4.76741673 1 [/CIF]
ClMnSr
Fmm2
42
orthorhombic
mm2
3,244.022002
false
[CIF] data_Ni2AuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11016030 _cell_length_b 3.11016030 _cell_length_c 6.57748500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2AuSe _chemical_formula_sum 'Ni2 Au1 Se1' _cell_volume 63.62465095 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55508015 1.55508015 5.36548736 1 Ni Ni1 1 0.00000000 0.00000000 0.28065122 1 Ni Ni2 1 1.55508015 1.55508015 1.60703981 1 Se Se3 1 0.00000000 0.00000000 2.61304911 1 [/CIF]
AuNi2Se
P4mm
99
tetragonal
4mm
10,265.089653
false
[CIF] data_Ti2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92286365 _cell_length_b 4.92286365 _cell_length_c 4.92286365 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2InAg _chemical_formula_sum 'Ti2 In1 Ag1' _cell_volume 84.36035987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48099027 3.48099027 3.48099027 1 In In1 1 5.22148541 5.22148541 5.22148541 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.74049513 1.74049513 1.74049513 1 [/CIF]
AgInTi2
F-43m
216
cubic
-43m
6,267.744501
false
[CIF] data_CuSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18639778 _cell_length_b 4.18639778 _cell_length_c 4.18639778 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnRu _chemical_formula_sum 'Cu1 Sn1 Ru1' _cell_volume 51.88077762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.44034539 4.44034539 4.44034539 1 Sn Sn2 1 1.48011513 1.48011513 1.48011513 1 [/CIF]
CuRuSn
F-43m
216
cubic
-43m
9,068.366227
false
[CIF] data_Tl4FeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38681467 _cell_length_b 6.38681467 _cell_length_c 6.38681467 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl4FeCl _chemical_formula_sum 'Tl4 Fe1 Cl1' _cell_volume 184.22049448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 2.25807998 2.25807998 2.25807998 1 Tl Tl2 1 3.38791662 3.38791662 5.64440330 1 Tl Tl3 1 3.38791662 5.64440330 3.38791662 1 Tl Tl4 1 5.64440330 3.38791662 3.38791662 1 Tl Tl5 1 5.64440330 5.64440330 5.64440330 1 [/CIF]
ClFeTl4
F-43m
216
cubic
-43m
8,192.083714
false
[CIF] data_Ti2WBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16622336 _cell_length_b 5.16622336 _cell_length_c 4.56351746 _cell_angle_alpha 95.29483749 _cell_angle_beta 95.29483749 _cell_angle_gamma 35.07797563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2WBr _chemical_formula_sum 'Ti2 W1 Br1' _cell_volume 69.66855301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.76065260 0.00000000 0.56229161 1 Ti Ti1 1 0.13924734 -0.00000000 0.45694824 1 Ti Ti2 1 6.84438058 0.00000000 3.01755811 1 W W3 1 4.37140341 0.00000000 2.77634510 1 [/CIF]
BrTi2W
Cm
8
monoclinic
m
8,568.101917
false
[CIF] data_YTeBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75842609 _cell_length_b 5.75842609 _cell_length_c 5.75842609 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTeBr3 _chemical_formula_sum 'Y1 Te1 Br3' _cell_volume 190.94636313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 2.87921305 2.87921305 2.87921305 1 Br Br2 1 2.87921305 0.00000000 2.87921305 1 Br Br3 1 2.87921305 2.87921305 0.00000000 1 Br Br4 1 0.00000000 2.87921305 2.87921305 1 [/CIF]
Br3TeY
Pm-3m
221
cubic
m-3m
3,967.436459
false
[CIF] data_Fe2Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10961732 _cell_length_b 4.10961732 _cell_length_c 5.08663611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Pt3 _chemical_formula_sum 'Fe2 Pt3' _cell_volume 74.39848088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05480866 1.18634433 0.67008343 1 Fe Fe1 1 -0.00000000 2.37268867 4.41655268 1 Pt Pt2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.05480866 1.18634433 3.21488460 1 Pt Pt4 1 -0.00000000 2.37268867 1.87175151 1 [/CIF]
Fe2Pt3
P-3m1
164
trigonal
-3m
15,555.41732
false
[CIF] data_CaSiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88292637 _cell_length_b 5.88292637 _cell_length_c 5.28132036 _cell_angle_alpha 115.77679090 _cell_angle_beta 115.77679090 _cell_angle_gamma 39.82349862 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSiSn2 _chemical_formula_sum 'Ca1 Si1 Sn2' _cell_volume 103.78400466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.95747378 0.00000000 2.35820841 1 Si Si1 1 7.83651239 -0.00000000 0.68377368 1 Sn Sn2 1 0.28061369 0.00000000 0.32360283 1 Sn Sn3 1 0.85505971 0.00000000 3.65812809 1 [/CIF]
CaSiSn2
Cm
8
monoclinic
m
4,889.321254
false
[CIF] data_Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59015026 _cell_length_b 4.59015026 _cell_length_c 4.59015026 _cell_angle_alpha 56.95250985 _cell_angle_beta 56.95250985 _cell_angle_gamma 56.95250985 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb _chemical_formula_sum Sb2 _cell_volume 63.57929834 _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 Sb Sb0 1 -0.00000000 0.00000000 8.81294183 1 Sb Sb1 1 0.00000000 0.00000000 2.68261633 1 [/CIF]
Sb2
R-3m
166
trigonal
-3m
6,360.159426
false
[CIF] data_AlV2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85209430 _cell_length_b 4.85209430 _cell_length_c 4.99732621 _cell_angle_alpha 101.86319026 _cell_angle_beta 101.86319026 _cell_angle_gamma 33.47791365 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlV2Cd _chemical_formula_sum 'Al1 V2 Cd1' _cell_volume 63.38517501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.18410002 -0.00000000 2.45293904 1 Cd Cd1 1 6.66423964 0.00000000 1.27852195 1 V V2 1 8.12523157 0.00000000 4.67885421 1 V V3 1 1.57694586 -0.00000000 3.79173413 1 [/CIF]
AlCdV2
Cm
8
monoclinic
m
6,320.838549
false
[CIF] data_BaSc2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30455421 _cell_length_b 5.30455421 _cell_length_c 5.30455421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSc2Ta _chemical_formula_sum 'Ba1 Sc2 Ta1' _cell_volume 105.54354502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75088625 3.75088625 3.75088625 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.62632938 5.62632938 5.62632938 1 Ta Ta3 1 1.87544313 1.87544313 1.87544313 1 [/CIF]
BaSc2Ta
F-43m
216
cubic
-43m
6,422.088327
false
[CIF] data_NiIr2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79641332 _cell_length_b 8.79641332 _cell_length_c 8.79641332 _cell_angle_alpha 17.82612448 _cell_angle_beta 17.82612448 _cell_angle_gamma 17.82612448 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiIr2Pd _chemical_formula_sum 'Ni1 Ir2 Pd1' _cell_volume 55.68602328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 6.62958815 1 Ir Ir1 1 0.00000000 -0.00000000 19.33390080 1 Ni Ni2 1 -0.00000000 -0.00000000 -0.00000000 1 Pd Pd3 1 -0.00000000 0.00000000 12.98174447 1 [/CIF]
Ir2NiPd
R-3m
166
trigonal
-3m
16,387.324367
false
[CIF] data_ZrMnInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61287454 _cell_length_b 4.61287454 _cell_length_c 4.61287454 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnInFe _chemical_formula_sum 'Zr1 Mn1 In1 Fe1' _cell_volume 69.40646599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.89269231 4.89269231 4.89269231 1 In In1 1 3.26179487 3.26179487 3.26179487 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.63089744 1.63089744 1.63089743 1 [/CIF]
FeInMnZr
F-43m
216
cubic
-43m
7,579.990668
false
[CIF] data_ScTiNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02967160 _cell_length_b 4.26167835 _cell_length_c 4.64564431 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.83087177 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTiNi2 _chemical_formula_sum 'Sc1 Ti1 Ni2' _cell_volume 59.55639151 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 2.06824243 0.00000000 4.30561981 1 Ni Ni1 1 2.58964281 2.13083918 1.39925490 1 Sc Sc2 1 1.11349319 0.00000000 1.85640088 1 Ti Ti3 1 0.42143019 2.13083918 3.97039314 1 [/CIF]
Ni2ScTi
Pm
6
monoclinic
m
5,861.023983
false
[CIF] data_MgCuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92774149 _cell_length_b 3.92774149 _cell_length_c 8.70812269 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuSe _chemical_formula_sum 'Mg2 Cu2 Se2' _cell_volume 116.34318896 _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 Cu Cu0 1 0.00000000 0.00000000 6.74439095 1 Cu Cu1 1 0.00000000 0.00000000 2.39032961 1 Mg Mg2 1 1.96387074 1.13384130 5.03292552 1 Mg Mg3 1 0.00000000 2.26768261 0.67886417 1 Se Se4 1 1.96387074 1.13384130 7.81595958 1 Se Se5 1 0.00000000 2.26768261 3.46189824 1 [/CIF]
Cu2Mg2Se2
P6_3mc
186
hexagonal
6mm
4,761.615103
false
[CIF] data_ScMnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13471398 _cell_length_b 4.13471398 _cell_length_c 4.13471398 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnB _chemical_formula_sum 'Sc1 Mn1 B1' _cell_volume 49.98289630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.92368429 2.92368429 2.92368429 1 Sc Sc2 1 1.46184214 1.46184214 1.46184214 1 [/CIF]
BMnSc
F-43m
216
cubic
-43m
3,677.856218
false
[CIF] data_YRuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68944883 _cell_length_b 4.68944883 _cell_length_c 4.68944883 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRuCl2 _chemical_formula_sum 'Y1 Ru1 Cl2' _cell_volume 72.92062915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97391160 4.97391160 4.97391160 1 Cl Cl1 1 1.65797054 1.65797054 1.65797054 1 Ru Ru2 1 3.31594107 3.31594107 3.31594107 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2RuY
Fm-3m
225
cubic
m-3m
5,940.7675
false
[CIF] data_HfIn2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12741064 _cell_length_b 3.12741064 _cell_length_c 8.07300656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfIn2Fe _chemical_formula_sum 'Hf1 In2 Fe1' _cell_volume 78.95963355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.17817308 1 Hf Hf1 1 1.56370532 1.56370532 5.60027412 1 In In2 1 0.00000000 0.00000000 7.95547747 1 In In3 1 1.56370532 1.56370532 2.44859181 1 [/CIF]
FeHfIn2
P4mm
99
tetragonal
4mm
9,757.41574
false
[CIF] data_ZrTaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42566137 _cell_length_b 5.42566137 _cell_length_c 5.42566137 _cell_angle_alpha 140.77780575 _cell_angle_beta 140.77780575 _cell_angle_gamma 56.67419385 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaTe _chemical_formula_sum 'Zr1 Ta1 Te1' _cell_volume 63.34563133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.52570690 1 Te Te1 1 -0.00000000 0.00000000 3.25685256 1 Zr Zr2 1 0.00000000 -0.00000000 6.31946267 1 [/CIF]
TaTeZr
I4mm
107
tetragonal
4mm
10,479.599154
false
[CIF] data_CaAgCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75320484 _cell_length_b 4.75320484 _cell_length_c 3.87997508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAgCl2 _chemical_formula_sum 'Ca1 Ag1 Cl2' _cell_volume 87.66010729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.37660242 2.37660242 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Cl Cl2 1 0.00000000 2.37660242 1.93998754 1 Cl Cl3 1 2.37660242 0.00000000 1.93998754 1 [/CIF]
AgCaCl2
P4/mmm
123
tetragonal
4/mmm
4,145.79328
false
[CIF] data_KCaCrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88506352 _cell_length_b 4.88506352 _cell_length_c 4.88506352 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaCrIr _chemical_formula_sum 'K1 Ca1 Cr1 Ir1' _cell_volume 82.43196396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.18139231 5.18139231 5.18139231 1 Cr Cr1 1 3.45426154 3.45426154 3.45426154 1 Ir Ir2 1 1.72713077 1.72713077 1.72713077 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaCrIrK
F-43m
216
cubic
-43m
6,514.472137
false
[CIF] data_AgGeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84603398 _cell_length_b 7.84603398 _cell_length_c 3.37467681 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgGeP _chemical_formula_sum 'Ag3 Ge3 P3' _cell_volume 179.91326606 _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 Ag Ag0 1 -0.00000000 4.52990983 1.68733841 1 Ag Ag1 1 3.92301699 2.26495491 1.68733841 1 Ag Ag2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 2.74512264 4.75469189 1.68733841 1 Ge Ge4 1 2.35578869 0.00000000 1.68733841 1 Ge Ge5 1 -1.17789434 2.04017285 1.68733841 1 P P6 1 1.88004401 3.25633174 0.00000000 1 P P7 1 4.08594596 0.00000000 0.00000000 1 P P8 1 -2.04297298 3.53853300 0.00000000 1 [/CIF]
Ag3Ge3P3
P-62m
189
hexagonal
-6m2
5,855.722604
false
[CIF] data_SrZrAlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86210379 _cell_length_b 4.86210379 _cell_length_c 4.86210379 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrAlRe _chemical_formula_sum 'Sr1 Zr1 Al1 Re1' _cell_volume 81.27513097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 5.15703984 5.15703984 5.15703984 1 Sr Sr2 1 3.43802656 3.43802656 3.43802656 1 Zr Zr3 1 1.71901328 1.71901328 1.71901328 1 [/CIF]
AlReSrZr
F-43m
216
cubic
-43m
8,009.649913
false
[CIF] data_TaNiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17392517 _cell_length_b 4.17392517 _cell_length_c 4.17392517 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNiRh _chemical_formula_sum 'Ta1 Ni1 Rh1' _cell_volume 51.41844963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 1.47570539 1.47570539 1.47570539 1 Ta Ta2 1 2.95141079 2.95141079 2.95141079 1 [/CIF]
NiRhTa
F-43m
216
cubic
-43m
11,062.416591
false
[CIF] data_ReGe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31194181 _cell_length_b 4.31194181 _cell_length_c 3.12363526 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReGe2Rh _chemical_formula_sum 'Re1 Ge2 Rh1' _cell_volume 58.07725739 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15597091 1.56181763 1 Ge Ge1 1 2.15597091 0.00000000 1.56181763 1 Re Re2 1 2.15597091 2.15597091 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2ReRh
P4/mmm
123
tetragonal
4/mmm
12,420.106404
false
[CIF] data_Mn2CrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80772477 _cell_length_b 2.80772477 _cell_length_c 6.18497005 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrMo _chemical_formula_sum 'Mn2 Cr1 Mo1' _cell_volume 48.75808810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.40386239 1.40386239 1.33781397 1 Mn Mn2 1 1.40386239 1.40386239 4.84715608 1 Mo Mo3 1 0.00000000 0.00000000 3.09248503 1 [/CIF]
CrMn2Mo
P4/mmm
123
tetragonal
4/mmm
8,780.910836
false
[CIF] data_Nb2CoAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53158750 _cell_length_b 4.53158750 _cell_length_c 4.53158750 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CoAg _chemical_formula_sum 'Nb2 Co1 Ag1' _cell_volume 65.80154826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20431625 3.20431625 3.20431625 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 4.80647438 4.80647438 4.80647438 1 Nb Nb3 1 1.60215813 1.60215813 1.60215813 1 [/CIF]
AgCoNb2
Fm-3m
225
cubic
m-3m
8,898.416456
false
[CIF] data_NaSrGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78631608 _cell_length_b 5.78631608 _cell_length_c 5.78631608 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrGe4 _chemical_formula_sum 'Na1 Sr1 Ge4' _cell_volume 136.99081933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07012520 3.07012520 5.11296148 1 Ge Ge1 1 3.07012520 5.11296148 3.07012520 1 Ge Ge2 1 5.11296148 3.07012520 3.07012520 1 Ge Ge3 1 5.11296148 5.11296148 5.11296148 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 Sr Sr5 1 2.04577167 2.04577167 2.04577167 1 [/CIF]
Ge4NaSr
F-43m
216
cubic
-43m
4,862.793561
false
[CIF] data_HfAlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54289018 _cell_length_b 4.54289018 _cell_length_c 4.54289018 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAlGa _chemical_formula_sum 'Hf1 Al1 Ga1' _cell_volume 66.29514366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 3.21230845 3.21230845 3.21230845 1 Hf Hf2 1 4.81846268 4.81846268 4.81846268 1 [/CIF]
AlGaHf
F-43m
216
cubic
-43m
6,892.982759
false
[CIF] data_ZrCdCuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67700793 _cell_length_b 4.67700793 _cell_length_c 4.67700793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdCuMo _chemical_formula_sum 'Zr1 Cd1 Cu1 Mo1' _cell_volume 72.34180153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.96071603 4.96071603 4.96071603 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.65357201 1.65357201 1.65357201 1 Zr Zr3 1 3.30714402 3.30714402 3.30714402 1 [/CIF]
CdCuMoZr
F-43m
216
cubic
-43m
8,335.565391
false
[CIF] data_LaMn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11143189 _cell_length_b 5.11143189 _cell_length_c 5.11143189 _cell_angle_alpha 131.08825373 _cell_angle_beta 131.08825373 _cell_angle_gamma 71.67289987 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMn3 _chemical_formula_sum 'La1 Mn3' _cell_volume 74.22118690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 -0.00000000 4.14379450 1 Mn Mn1 1 0.00000000 2.11609347 2.07189725 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 2.11609347 -0.00000000 2.07189725 1 [/CIF]
LaMn3
I4/mmm
139
tetragonal
4/mmm
6,795.422371
false
[CIF] data_NbCr2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79391485 _cell_length_b 4.79391485 _cell_length_c 4.79391485 _cell_angle_alpha 134.96148993 _cell_angle_beta 134.96148993 _cell_angle_gamma 65.59004131 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr2Si _chemical_formula_sum 'Nb1 Cr2 Si1' _cell_volume 54.33893071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83604011 0.00000000 2.01491520 1 Cr Cr1 1 0.00000000 1.83604011 2.01491519 1 Nb Nb2 1 0.00000000 -0.00000000 4.02983039 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2NbSi
I4/mmm
139
tetragonal
4/mmm
6,875.270627
false
[CIF] data_Nd2MoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77815802 _cell_length_b 6.77815802 _cell_length_c 6.77815802 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2MoO4 _chemical_formula_sum 'Nd4 Mo2 O8' _cell_volume 220.20139722 _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 Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 2.39644075 2.39644075 2.39644075 1 Nd Nd2 1 3.59466113 3.59466113 5.99110188 1 Nd Nd3 1 5.99110188 3.59466113 3.59466113 1 Nd Nd4 1 3.59466113 5.99110188 3.59466113 1 Nd Nd5 1 5.99110188 5.99110188 5.99110188 1 O O6 1 5.92728060 5.92728060 8.45136390 1 O O7 1 6.05492315 3.53083985 6.05492315 1 O O8 1 3.53083985 3.53083985 3.53083985 1 O O9 1 3.53083985 6.05492315 6.05492315 1 O O10 1 8.45136390 8.45136390 8.45136390 1 O O11 1 8.45136390 5.92728060 5.92728060 1 O O12 1 5.92728060 8.45136390 5.92728060 1 O O13 1 6.05492315 6.05492315 3.53083985 1 [/CIF]
Mo2Nd4O8
Fd-3m
227
cubic
m-3m
6,763.397884
false
[CIF] data_Ca2HfRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46572935 _cell_length_b 3.46572935 _cell_length_c 9.16284456 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2HfRh _chemical_formula_sum 'Ca2 Hf1 Rh1' _cell_volume 110.05749094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.73286468 1.73286468 8.52527331 1 Ca Ca1 1 0.00000000 0.00000000 2.65145673 1 Hf Hf2 1 1.73286468 1.73286468 5.30935640 1 Rh Rh3 1 0.00000000 0.00000000 6.42102496 1 [/CIF]
Ca2HfRh
P4mm
99
tetragonal
4mm
5,455.061579
false
[CIF] data_HgAsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70109358 _cell_length_b 4.70109358 _cell_length_c 3.15587466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgAsPd2 _chemical_formula_sum 'Hg1 As1 Pd2' _cell_volume 69.74571631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.35054679 2.35054679 0.00000000 1 Pd Pd2 1 2.35054679 0.00000000 1.57793733 1 Pd Pd3 1 0.00000000 2.35054679 1.57793733 1 [/CIF]
AsHgPd2
P4/mmm
123
tetragonal
4/mmm
11,626.906325
false
[CIF] data_Na3TlS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35574565 _cell_length_b 5.35574565 _cell_length_c 5.35574565 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3TlS _chemical_formula_sum 'Na3 Tl1 S1' _cell_volume 153.62426964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 2.67787283 0.00000000 1 Na Na1 1 0.00000000 0.00000000 2.67787283 1 Na Na2 1 2.67787283 0.00000000 0.00000000 1 Tl Tl3 1 2.67787283 2.67787283 2.67787283 1 S S4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na3STl
Pm-3m
221
cubic
m-3m
3,301.287424
false
[CIF] data_CuSeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20977301 _cell_length_b 6.76852968 _cell_length_c 3.41211922 _cell_angle_alpha 83.19295646 _cell_angle_beta 68.77748545 _cell_angle_gamma 28.02955809 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSeCl _chemical_formula_sum 'Cu1 Se1 Cl1' _cell_volume 64.80875696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.65449762 2.98415737 0.57626129 1 Cu Cu1 1 1.65449762 2.98415737 8.69859970 1 Se Se2 1 1.65449762 2.98415737 3.85154471 1 [/CIF]
ClCuSe
Fmm2
42
orthorhombic
mm2
4,559.690474
false
[CIF] data_FeCo2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66506839 _cell_length_b 2.66506839 _cell_length_c 6.19765272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCo2P _chemical_formula_sum 'Fe1 Co2 P1' _cell_volume 44.01938328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.33253420 1.33253420 1.31024936 1 Co Co1 1 1.33253420 1.33253420 4.88740336 1 Fe Fe2 1 0.00000000 0.00000000 3.09882636 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2FeP
P4/mmm
123
tetragonal
4/mmm
7,721.31879
false
[CIF] data_OsPtAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94288221 _cell_length_b 4.94288221 _cell_length_c 4.94288221 _cell_angle_alpha 131.74957608 _cell_angle_beta 131.74957608 _cell_angle_gamma 70.62483295 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPtAu2 _chemical_formula_sum 'Os1 Pt1 Au2' _cell_volume 65.85291292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.02031461 2.01672645 1 Au Au1 1 2.02031461 -0.00000000 2.01672645 1 Os Os2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 4.03345290 1 [/CIF]
Au2OsPt
I4/mmm
139
tetragonal
4/mmm
19,649.401338
false
[CIF] data_PuFePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06010709 _cell_length_b 5.06010709 _cell_length_c 5.06010709 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuFePb2 _chemical_formula_sum 'Pu1 Fe1 Pb2' _cell_volume 91.61448099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 5.36705405 5.36705405 5.36705405 1 Pb Pb2 1 1.78901802 1.78901802 1.78901802 1 Pu Pu3 1 3.57803603 3.57803603 3.57803603 1 [/CIF]
FePb2Pu
Fm-3m
225
cubic
m-3m
12,945.897993
false
[CIF] data_InFePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35703477 _cell_length_b 4.35703477 _cell_length_c 4.35703477 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFePd _chemical_formula_sum 'In1 Fe1 Pd1' _cell_volume 58.48682938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 4.62133325 4.62133325 4.62133325 1 Pd Pd2 1 3.08088883 3.08088883 3.08088883 1 [/CIF]
FeInPd
F-43m
216
cubic
-43m
7,866.850555
false
[CIF] data_BaMgInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50780843 _cell_length_b 5.50780843 _cell_length_c 5.50780843 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgInHg _chemical_formula_sum 'Ba1 Mg1 In1 Hg1' _cell_volume 118.14666889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94730435 1.94730435 1.94730435 1 Hg Hg1 1 5.84191304 5.84191304 5.84191304 1 In In2 1 3.89460869 3.89460869 3.89460869 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHgInMg
F-43m
216
cubic
-43m
6,704.747276
false
[CIF] data_ZrNbP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36849922 _cell_length_b 4.88893476 _cell_length_c 4.88893476 _cell_angle_alpha 39.29192957 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbP2 _chemical_formula_sum 'Zr1 Nb1 P2' _cell_volume 66.12275522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18424961 0.00000000 6.91453753 1 P P1 1 2.18424961 0.00000000 0.32365280 1 P P2 1 0.00000000 -0.00000000 2.00022662 1 Zr Zr3 1 0.00000000 -0.00000000 4.57460388 1 [/CIF]
NbP2Zr
Amm2
38
orthorhombic
mm2
6,179.764223
false
[CIF] data_Na2AgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01425950 _cell_length_b 3.01425950 _cell_length_c 8.78061168 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2AgP _chemical_formula_sum 'Na2 Ag1 P1' _cell_volume 79.77853330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.39030584 1 Na Na1 1 1.50712975 1.50712975 6.79589402 1 Na Na2 1 1.50712975 1.50712975 1.98471766 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgNa2P
P4/mmm
123
tetragonal
4/mmm
3,846.941142
false
[CIF] data_BaNbSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36863336 _cell_length_b 3.36863336 _cell_length_c 7.91390191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbSi2 _chemical_formula_sum 'Ba1 Nb1 Si2' _cell_volume 89.80451119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68431668 1.68431668 3.75246475 1 Nb Nb1 1 0.00000000 0.00000000 6.74841042 1 Si Si2 1 1.68431668 1.68431668 0.02340711 1 Si Si3 1 0.00000000 0.00000000 1.34657067 1 [/CIF]
BaNbSi2
P4mm
99
tetragonal
4mm
5,295.78923
false
[CIF] data_Zn2CdSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86497606 _cell_length_b 4.86497606 _cell_length_c 4.86497606 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CdSe _chemical_formula_sum 'Zn2 Cd1 Se1' _cell_volume 81.41925492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.44005756 3.44005756 3.44005756 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.72002878 1.72002878 1.72002878 1 Zn Zn3 1 5.16008634 5.16008634 5.16008634 1 [/CIF]
CdSeZn2
Fm-3m
225
cubic
m-3m
6,569.835484
false
[CIF] data_La2MgTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41183509 _cell_length_b 5.41183509 _cell_length_c 5.41183509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MgTi _chemical_formula_sum 'La2 Mg1 Ti1' _cell_volume 112.07755927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.82674529 3.82674529 3.82674529 1 La La1 1 5.74011794 5.74011794 5.74011794 1 Mg Mg2 1 0.00000000 -0.00000000 0.00000000 1 Ti Ti3 1 1.91337265 1.91337265 1.91337265 1 [/CIF]
La2MgTi
F-43m
216
cubic
-43m
5,185.340833
false
[CIF] data_BeGa2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89403973 _cell_length_b 4.46709760 _cell_length_c 4.62019348 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.87382206 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGa2Pt _chemical_formula_sum 'Be1 Ga2 Pt1' _cell_volume 59.01472959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54372416 2.23354880 3.49075421 1 Ga Ga2 1 0.63760923 2.23354880 1.07413763 1 Pt Pt3 1 1.09066670 0.00000000 2.28244592 1 [/CIF]
BeGa2Pt
P2/m
10
monoclinic
2/m
9,666.488658
false
[CIF] data_CrFeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65165076 _cell_length_b 2.65165076 _cell_length_c 6.58170528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFeAg _chemical_formula_sum 'Cr1 Fe1 Ag1' _cell_volume 40.07760042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32582539 0.76546563 6.56057274 1 Cr Cr1 1 0.00000000 0.00000000 2.41645197 1 Fe Fe2 1 0.00000001 1.53093127 4.18638585 1 [/CIF]
AgCrFe
P3m1
156
trigonal
3m
8,937.504139
false
[CIF] data_MnNbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85038210 _cell_length_b 3.85038210 _cell_length_c 4.32999809 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbAu2 _chemical_formula_sum 'Mn1 Nb1 Au2' _cell_volume 64.19413708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92519105 0.00000000 2.16499905 1 Au Au1 1 0.00000000 1.92519105 2.16499905 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 1.92519105 1.92519105 0.00000000 1 [/CIF]
Au2MnNb
P4/mmm
123
tetragonal
4/mmm
14,014.795143
false
[CIF] data_TiCdTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85188471 _cell_length_b 4.85188471 _cell_length_c 4.85188471 _cell_angle_alpha 130.78437394 _cell_angle_beta 130.78437394 _cell_angle_gamma 72.15588822 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdTc2 _chemical_formula_sum 'Ti1 Cd1 Tc2' _cell_volume 64.02514865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02034796 0.00000000 1.96068697 1 Tc Tc1 1 0.00000000 -0.00000000 3.92137393 1 Tc Tc2 1 0.00000000 2.02034796 1.96068697 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdTc2Ti
I-4m2
119
tetragonal
-42m
9,287.336478
false
[CIF] data_Sc2GaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45530523 _cell_length_b 3.45530523 _cell_length_c 7.55200361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.69055660 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2GaSn _chemical_formula_sum 'Sc2 Ga1 Sn1' _cell_volume 89.72004814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86910216 1 Sc Sc1 1 2.31897612 0.00000000 0.22358998 1 Sc Sc2 1 0.00000000 0.00000000 5.61982847 1 Sn Sn3 1 2.31897612 0.00000000 3.61548480 1 [/CIF]
GaSc2Sn
Cmm2
35
orthorhombic
mm2
5,151.607292
false
[CIF] data_ZnTcP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39700378 _cell_length_b 4.39700378 _cell_length_c 4.39700378 _cell_angle_alpha 124.69417194 _cell_angle_beta 124.69417194 _cell_angle_gamma 82.04520350 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTcP2 _chemical_formula_sum 'Zn1 Tc1 P2' _cell_volume 55.26004404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 2.04071219 0.00000000 1.65866134 1 P P1 1 -0.00000000 2.04071219 1.65866134 1 Tc Tc2 1 -0.00000000 0.00000000 3.31732268 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2TcZn
I4/mmm
139
tetragonal
4/mmm
6,798.220006
false
[CIF] data_Na2ZnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99277532 _cell_length_b 3.99277532 _cell_length_c 5.92311041 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZnSe _chemical_formula_sum 'Na2 Zn1 Se1' _cell_volume 94.42773504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99638766 1.99638766 5.73644524 1 Na Na1 1 0.00000000 0.00000000 1.74433244 1 Se Se2 1 1.99638766 1.99638766 2.83641054 1 Zn Zn3 1 0.00000000 0.00000000 4.49058774 1 [/CIF]
Na2SeZn
P4mm
99
tetragonal
4mm
3,346.832066
false
[CIF] data_AlPdRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44930363 _cell_length_b 4.44930363 _cell_length_c 4.44930363 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPdRuAu _chemical_formula_sum 'Al1 Pd1 Ru1 Au1' _cell_volume 62.28179700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -0.00000000 -0.00000000 0.00000000 1 Au Au1 1 4.71919916 4.71919916 4.71919916 1 Pd Pd2 1 1.57306639 1.57306639 1.57306639 1 Ru Ru3 1 3.14613277 3.14613277 3.14613277 1 [/CIF]
AlAuPdRu
F-43m
216
cubic
-43m
11,502.876714
false
[CIF] data_HfP2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38457270 _cell_length_b 4.38457270 _cell_length_c 3.11648436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfP2Rh _chemical_formula_sum 'Hf1 P2 Rh1' _cell_volume 59.91278427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19228635 2.19228635 0.00000000 1 P P1 1 2.19228635 0.00000000 1.55824218 1 P P2 1 0.00000000 2.19228635 1.55824218 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfP2Rh
P4/mmm
123
tetragonal
4/mmm
9,516.074266
false
[CIF] data_SbPdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98927040 _cell_length_b 3.98927040 _cell_length_c 3.98927040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbPdO3 _chemical_formula_sum 'Sb1 Pd1 O3' _cell_volume 63.48635946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 1.99463520 1.99463520 1 O O1 1 1.99463520 0.00000000 1.99463520 1 O O2 1 1.99463520 1.99463520 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 Sb Sb4 1 1.99463520 1.99463520 1.99463520 1 [/CIF]
O3PdSb
Pm-3m
221
cubic
m-3m
7,223.672839
false
[CIF] data_NaTi4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36337303 _cell_length_b 5.36337303 _cell_length_c 5.36337303 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi4P _chemical_formula_sum 'Na1 Ti4 P1' _cell_volume 109.09353478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.89623872 1.89623872 1.89623872 1 Ti Ti2 1 2.84111700 2.84111700 4.74383788 1 Ti Ti3 1 2.84111700 4.74383788 2.84111700 1 Ti Ti4 1 4.74383788 2.84111700 2.84111700 1 Ti Ti5 1 4.74383788 4.74383788 4.74383788 1 [/CIF]
NaPTi4
F-43m
216
cubic
-43m
3,735.772672
false
[CIF] data_ThTi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96050354 _cell_length_b 4.96050354 _cell_length_c 4.96050354 _cell_angle_alpha 124.18116601 _cell_angle_beta 124.18116601 _cell_angle_gamma 82.89876033 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThTi3 _chemical_formula_sum 'Th1 Ti3' _cell_volume 80.17954576 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Th Th0 1 0.00000000 -0.00000000 3.71810000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 2.32188800 -0.00000000 1.85905000 1 Ti Ti3 1 -0.00000000 2.32188800 1.85905000 1 [/CIF]
ThTi3
I4/mmm
139
tetragonal
4/mmm
7,779.58179
false
[CIF] data_NaBiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91960798 _cell_length_b 4.91960798 _cell_length_c 4.91960798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBiSe _chemical_formula_sum 'Na1 Bi1 Se1' _cell_volume 84.19309849 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.21803224 5.21803224 5.21803224 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.73934408 1.73934408 1.73934408 1 [/CIF]
BiNaSe
F-43m
216
cubic
-43m
6,132.470504
false
[CIF] data_ScTlB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67578009 _cell_length_b 3.15617326 _cell_length_c 5.82834447 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.29862251 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlB2 _chemical_formula_sum 'Sc1 Tl1 B2' _cell_volume 67.42673780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.07462001 0.00000000 5.10481471 1 B B1 1 -0.02789810 1.57808663 4.70159849 1 Sc Sc2 1 1.70835141 0.00000000 3.59631464 1 Tl Tl3 1 2.81568150 1.57808663 1.12714456 1 [/CIF]
B2ScTl
Pm
6
monoclinic
m
6,673.045334
false
[CIF] data_GeWCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44095305 _cell_length_b 4.44095305 _cell_length_c 4.44095305 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeWCl _chemical_formula_sum 'Ge1 W1 Cl1' _cell_volume 61.93177810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 4.71034203 4.71034203 4.71034203 1 W W2 1 3.14022802 3.14022802 3.14022802 1 [/CIF]
ClGeW
F-43m
216
cubic
-43m
7,827.421822
false
[CIF] data_SrLaFeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03798355 _cell_length_b 5.03798355 _cell_length_c 5.03798355 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaFeRh _chemical_formula_sum 'Sr1 La1 Fe1 Rh1' _cell_volume 90.41807088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 -0.00000000 0.00000000 1 La La1 1 5.34358850 5.34358850 5.34358850 1 Rh Rh2 1 3.56239233 3.56239233 3.56239233 1 Sr Sr3 1 1.78119616 1.78119617 1.78119617 1 [/CIF]
FeLaRhSr
F-43m
216
cubic
-43m
7,075.640891
false
[CIF] data_SnPdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81161081 _cell_length_b 4.17893225 _cell_length_c 5.87449161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPdW2 _chemical_formula_sum 'Sn1 Pd1 W2' _cell_volume 69.02252180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91557457 1 Sn Sn1 1 1.40580540 2.08946612 4.34642596 1 W W2 1 0.00000000 0.00000000 0.13494071 1 W W3 1 1.40580540 2.08946612 1.41479617 1 [/CIF]
PdSnW2
Pmm2
25
orthorhombic
mm2
14,261.782073
false
[CIF] data_NdInO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00380800 _cell_length_b 8.24042100 _cell_length_c 5.68167600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdInO3 _chemical_formula_sum 'Nd4 In4 O12' _cell_volume 281.09470164 _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 Nd Nd0 1 3.37914127 2.06010525 5.58082057 1 Nd Nd1 1 5.62657073 6.18031575 2.73998257 1 Nd Nd2 1 0.37723727 2.06010525 2.94169343 1 Nd Nd3 1 2.62466673 6.18031575 0.10085543 1 In In4 1 3.00190400 0.00000000 2.84083800 1 In In5 1 3.00190400 4.12021050 2.84083800 1 In In6 1 0.00000000 0.00000000 0.00000000 1 In In7 1 0.00000000 4.12021050 0.00000000 1 O O8 1 3.35010685 6.18031575 3.56180859 1 O O9 1 4.14616977 4.64752328 1.06491085 1 O O10 1 4.14616977 7.71310822 1.06491085 1 O O11 1 4.85954223 0.52731278 3.90574885 1 O O12 1 4.85954223 3.59289772 3.90574885 1 O O13 1 5.65560515 2.06010525 0.72097059 1 O O14 1 0.34820285 6.18031575 4.96070541 1 O O15 1 1.14426577 7.71310822 1.77592715 1 O O16 1 1.14426577 4.64752328 1.77592715 1 O O17 1 1.85763823 0.52731278 4.61676515 1 O O18 1 1.85763823 3.59289772 4.61676515 1 O O19 1 2.65370115 2.06010525 2.11986741 1 [/CIF]
In4Nd4O12
Pnma
62
orthorhombic
mmm
7,255.663431
false
[CIF] data_NiAuBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00358405 _cell_length_b 6.00358405 _cell_length_c 6.00358405 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAuBr4 _chemical_formula_sum 'Ni1 Au1 Br4' _cell_volume 153.00893297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12258749 2.12258749 2.12258749 1 Br Br1 1 3.19790105 3.19790105 5.29244893 1 Br Br2 1 3.19790105 5.29244893 3.19790105 1 Br Br3 1 5.29244893 3.19790105 3.19790105 1 Br Br4 1 5.29244893 5.29244893 5.29244893 1 Ni Ni5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBr4Ni
F-43m
216
cubic
-43m
6,243.218628
false
[CIF] data_MgFePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87365515 _cell_length_b 2.87365515 _cell_length_c 7.26108663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.06590220 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFePd2 _chemical_formula_sum 'Mg1 Fe1 Pd2' _cell_volume 59.95090756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.63054331 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 2.01299243 0.00000000 1.88478647 1 Pd Pd3 1 2.01299243 0.00000000 5.37630016 1 [/CIF]
FeMgPd2
Cmmm
65
orthorhombic
mmm
8,115.329041
false
[CIF] data_Zn2InTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16896727 _cell_length_b 5.16896727 _cell_length_c 5.16896727 _cell_angle_alpha 136.34022086 _cell_angle_beta 136.34022086 _cell_angle_gamma 63.45478477 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2InTc _chemical_formula_sum 'Zn2 In1 Tc1' _cell_volume 64.97058522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.39651572 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.92209159 -0.00000000 2.19825786 1 Zn Zn3 1 -0.00000000 1.92209159 2.19825786 1 [/CIF]
InTcZn2
I4/mmm
139
tetragonal
4/mmm
8,804.437732
false
[CIF] data_SiGe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20175776 _cell_length_b 3.20175776 _cell_length_c 6.86958862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiGe2W _chemical_formula_sum 'Si1 Ge2 W1' _cell_volume 70.42188904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.48091107 1 Ge Ge1 1 1.60087888 1.60087888 2.05948982 1 Si Si2 1 0.00000000 0.00000000 3.72099642 1 W W3 1 1.60087888 1.60087888 4.91257431 1 [/CIF]
Ge2SiW
P4mm
99
tetragonal
4mm
8,422.986698
false
[CIF] data_KSiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58109251 _cell_length_b 4.58109251 _cell_length_c 7.56559365 _cell_angle_alpha 93.05345928 _cell_angle_beta 93.05345928 _cell_angle_gamma 34.49368881 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSiW2 _chemical_formula_sum 'K1 Si1 W2' _cell_volume 89.77656219 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.07504687 -0.00000000 3.68679969 1 Si Si1 1 6.42944261 -0.00000000 1.17348872 1 W W2 1 0.06553391 0.00000000 0.06937946 1 W W3 1 1.92234213 -0.00000000 6.40105691 1 [/CIF]
KSiW2
Cm
8
monoclinic
m
8,043.394745
false
[CIF] data_LiCaZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13125885 _cell_length_b 5.13125885 _cell_length_c 5.13125885 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaZr _chemical_formula_sum 'Li1 Ca1 Zr1' _cell_volume 95.53373847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62834793 3.62834793 3.62834793 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.44252190 5.44252190 5.44252190 1 [/CIF]
CaLiZr
F-43m
216
cubic
-43m
2,402.898765
false
[CIF] data_GaMoRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37454133 _cell_length_b 4.37454133 _cell_length_c 4.37454133 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMoRh2 _chemical_formula_sum 'Ga1 Mo1 Rh2' _cell_volume 59.19466603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.63990176 4.63990176 4.63990176 1 Rh Rh2 1 3.09326784 3.09326784 3.09326784 1 Rh Rh3 1 1.54663392 1.54663392 1.54663392 1 [/CIF]
GaMoRh2
F-43m
216
cubic
-43m
10,421.214298
false
[CIF] data_MgSn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77102112 _cell_length_b 3.77102112 _cell_length_c 5.74729191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn2W _chemical_formula_sum 'Mg1 Sn2 W1' _cell_volume 81.72994099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 4.29595145 1 Sn Sn1 1 1.88551056 1.88551056 5.65076798 1 Sn Sn2 1 0.00000000 0.00000000 1.59328346 1 W W3 1 1.88551056 1.88551056 2.82822695 1 [/CIF]
MgSn2W
P4mm
99
tetragonal
4mm
9,052.717771
false
[CIF] data_BaLiYNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45824831 _cell_length_b 5.45824831 _cell_length_c 5.45824831 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiYNb _chemical_formula_sum 'Ba1 Li1 Y1 Nb1' _cell_volume 114.98597391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92978220 1.92978220 1.92978219 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.78934659 5.78934659 5.78934659 1 Y Y3 1 3.85956439 3.85956439 3.85956439 1 [/CIF]
BaLiNbY
F-43m
216
cubic
-43m
4,709.000084
false
[CIF] data_IrRuRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71829804 _cell_length_b 4.71829804 _cell_length_c 2.70958974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.80332925 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrRuRh2 _chemical_formula_sum 'Ir1 Ru1 Rh2' _cell_volume 56.75443258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.71293400 0.00000000 0.00000000 1 Rh Rh1 1 1.35646700 -1.93017652 1.35479487 1 Rh Rh2 1 1.35646700 1.93017651 1.35479487 1 Ru Ru3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
IrRh2Ru
Cmmm
65
orthorhombic
mmm
14,602.766504
false
[CIF] data_ScTaOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54680342 _cell_length_b 4.54680342 _cell_length_c 4.54680342 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaOsPt _chemical_formula_sum 'Sc1 Ta1 Os1 Pt1' _cell_volume 66.46661103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 3.21507553 3.21507553 3.21507553 1 Pt Pt1 1 4.82261330 4.82261330 4.82261330 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.60753777 1.60753777 1.60753777 1 [/CIF]
OsPtScTa
F-43m
216
cubic
-43m
15,270.088336
false
[CIF] data_TiSnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71558319 _cell_length_b 4.71558319 _cell_length_c 4.71558319 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSnGe _chemical_formula_sum 'Ti1 Sn1 Ge1' _cell_volume 74.14659884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33442085 3.33442085 3.33442085 1 Sn Sn1 1 1.66721043 1.66721043 1.66721043 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeSnTi
F-43m
216
cubic
-43m
5,357.348551
false
[CIF] data_KSmIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61236556 _cell_length_b 5.61236556 _cell_length_c 5.61236556 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSmIn2 _chemical_formula_sum 'K1 Sm1 In2' _cell_volume 125.00369656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 5.95281262 5.95281262 5.95281262 1 In In1 1 1.98427087 1.98427087 1.98427087 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sm Sm3 1 3.96854175 3.96854175 3.96854175 1 [/CIF]
In2KSm
Fm-3m
225
cubic
m-3m
5,567.215026
false