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_GaAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19085087 _cell_length_b 4.19085087 _cell_length_c 4.19250177 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg2As _chemical_formula_sum 'Ga1 Ag2 As1' _cell_volume 73.63387712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 2.09542544 2.09625088 1 Ag Ag1 1 2.09542544 0.00000000 2.09625088 1 As As2 1 2.09542544 2.09542544 0.00000000 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AsGa
P4/mmm
123
tetragonal
4/mmm
8,127.057175
false
[CIF] data_AlCdF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44093208 _cell_length_b 4.44093208 _cell_length_c 4.44093208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdF3 _chemical_formula_sum 'Al1 Cd1 F3' _cell_volume 87.58351953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 2.22046604 2.22046604 2.22046604 1 F F2 1 0.00000000 2.22046604 2.22046604 1 F F3 1 2.22046604 0.00000000 2.22046604 1 F F4 1 2.22046604 2.22046604 0.00000000 1 [/CIF]
AlCdF3
Pm-3m
221
cubic
m-3m
3,723.412005
false
[CIF] data_Nb3ZnC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29839772 _cell_length_b 4.29839772 _cell_length_c 4.29839772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3ZnC _chemical_formula_sum 'Nb3 Zn1 C1' _cell_volume 79.41815464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 2.14919886 0.00000000 1 Nb Nb2 1 0.00000000 0.00000000 2.14919886 1 Nb Nb3 1 2.14919886 0.00000000 0.00000000 1 Zn Zn4 1 2.14919886 2.14919886 2.14919886 1 [/CIF]
CNb3Zn
Pm-3m
221
cubic
m-3m
7,445.832807
false
[CIF] data_MgBiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94103243 _cell_length_b 4.94103243 _cell_length_c 4.94103243 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBiAs _chemical_formula_sum 'Mg1 Bi1 As1' _cell_volume 85.29785622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74691877 1.74691877 1.74691877 1 Bi Bi1 1 3.49383754 3.49383754 3.49383754 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsBiMg
F-43m
216
cubic
-43m
6,000.030796
false
[CIF] data_CdPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04111800 _cell_length_b 4.04111800 _cell_length_c 4.04111800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPd3 _chemical_formula_sum 'Cd1 Pd3' _cell_volume 65.99402180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 2.02055900 2.02055900 1 Pd Pd2 1 2.02055900 0.00000000 2.02055900 1 Pd Pd3 1 2.02055900 2.02055900 0.00000000 1 [/CIF]
CdPd3
Pm-3m
221
cubic
m-3m
10,861.689285
false
[CIF] data_S3(NO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80736178 _cell_length_b 8.80736178 _cell_length_c 7.15253405 _cell_angle_alpha 96.22146458 _cell_angle_beta 96.22146458 _cell_angle_gamma 31.50727976 _symmetry_Int_Tables_number 1 _chemical_formula_structural S3(NO)2 _chemical_formula_sum 'S6 N4 O4' _cell_volume 288.10839633 _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 N N0 1 9.48001439 1.70195445 1.44687198 1 N N1 1 9.07732201 -1.70195445 5.00039483 1 N N2 1 6.66768002 -1.70195445 5.66017373 1 N N3 1 7.07037239 1.70195445 2.10665087 1 O O4 1 5.24954388 -0.04947441 2.70128310 1 O O5 1 4.84685151 0.04947441 6.25480596 1 O O6 1 11.30084289 -0.04947441 0.85223975 1 O O7 1 10.89815052 0.04947441 4.40576260 1 S S8 1 5.21669691 -1.37120011 6.09087932 1 S S9 1 10.52830512 -1.37120011 4.56968924 1 S S10 1 10.93099749 1.37120011 1.01616639 1 S S11 1 5.61938928 1.37120011 2.53735646 1 S S12 1 7.87250101 -0.63752620 5.33028428 1 S S13 1 8.27519339 0.63752620 1.77676143 1 [/CIF]
N4O4S6
C2/c
15
monoclinic
2/m
1,800.62894
false
[CIF] data_KFeBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15341231 _cell_length_b 5.15341231 _cell_length_c 5.15341231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KFeBiAu _chemical_formula_sum 'K1 Fe1 Bi1 Au1' _cell_volume 96.77644698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.46601919 5.46601919 5.46601919 1 Bi Bi1 1 3.64401279 3.64401279 3.64401279 1 Fe Fe2 1 1.82200640 1.82200640 1.82200639 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBiFeK
F-43m
216
cubic
-43m
8,594.527756
false
[CIF] data_MnTl2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57477706 _cell_length_b 4.57477706 _cell_length_c 3.48847669 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTl2Co _chemical_formula_sum 'Mn1 Tl2 Co1' _cell_volume 73.00888145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28738853 2.28738853 0.00000000 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 0.00000000 2.28738853 1.74423835 1 Tl Tl3 1 2.28738853 0.00000000 1.74423835 1 [/CIF]
CoMnTl2
P4/mmm
123
tetragonal
4/mmm
11,887.054476
false
[CIF] data_SrBeCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09772565 _cell_length_b 5.09772565 _cell_length_c 2.78350578 _cell_angle_alpha 103.01339630 _cell_angle_beta 103.01339630 _cell_angle_gamma 112.88875910 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeCo2 _chemical_formula_sum 'Sr1 Be1 Co2' _cell_volume 60.85853457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 0.84189923 2.12409389 1.27102926 1 Co Co2 1 0.84189923 -2.12409389 1.27102926 1 Sr Sr3 1 2.81774862 0.00000000 0.00000000 1 [/CIF]
BeCo2Sr
C2/m
12
monoclinic
2/m
5,852.642707
false
[CIF] data_Cu2BP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52762592 _cell_length_b 2.52762592 _cell_length_c 7.09841150 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2BP _chemical_formula_sum 'Cu2 B1 P1' _cell_volume 45.35099006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.26381296 1.26381296 1.33112628 1 Cu Cu2 1 1.26381296 1.26381296 5.76728522 1 P P3 1 0.00000000 0.00000000 3.54920575 1 [/CIF]
BCu2P
P4/mmm
123
tetragonal
4/mmm
6,183.469431
false
[CIF] data_Si2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18940566 _cell_length_b 3.18940566 _cell_length_c 4.06997609 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2B _chemical_formula_sum 'Si2 B1' _cell_volume 35.85436308 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 1.59470283 0.92070211 3.01460105 1 Si Si2 1 -0.00000000 1.84140422 1.05537504 1 [/CIF]
BSi2
P-3m1
164
trigonal
-3m
3,102.167165
false
[CIF] data_AlHg2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67187894 _cell_length_b 4.67187894 _cell_length_c 4.67187894 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHg2Rh _chemical_formula_sum 'Al1 Hg2 Rh1' _cell_volume 72.10406411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.65175864 1.65175864 1.65175864 1 Hg Hg2 1 4.95527592 4.95527592 4.95527592 1 Rh Rh3 1 3.30351728 3.30351728 3.30351728 1 [/CIF]
AlHg2Rh
Fm-3m
225
cubic
m-3m
12,230.344786
false
[CIF] data_BaSc2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31102596 _cell_length_b 3.64880953 _cell_length_c 9.09764560 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSc2Si _chemical_formula_sum 'Ba1 Sc2 Si1' _cell_volume 109.91141378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 4.54882280 1 Sc Sc1 1 1.65551298 1.82440477 7.61665880 1 Sc Sc2 1 1.65551298 1.82440477 1.48098680 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaSc2Si
Pmmm
47
orthorhombic
mmm
3,857.43391
false
[CIF] data_ZnInCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81879836 _cell_length_b 4.81879836 _cell_length_c 4.81879836 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInCoBi _chemical_formula_sum 'Zn1 In1 Co1 Bi1' _cell_volume 79.12273023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.11110750 5.11110750 5.11110750 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.70370250 1.70370250 1.70370250 1 Zn Zn3 1 3.40740500 3.40740500 3.40740500 1 [/CIF]
BiCoInZn
F-43m
216
cubic
-43m
9,404.463263
false
[CIF] data_V4Fe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40908154 _cell_length_b 4.40908154 _cell_length_c 7.63675324 _cell_angle_alpha 95.52183276 _cell_angle_beta 95.52183276 _cell_angle_gamma 33.55730976 _symmetry_Int_Tables_number 1 _chemical_formula_structural V4Fe3 _chemical_formula_sum 'V4 Fe3' _cell_volume 81.64800000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.37265805 0.00000000 6.51264504 1 Fe Fe1 1 2.30256774 -0.00000000 1.08544084 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 6.90770321 -0.00000000 3.25632252 1 V V4 1 3.07009032 0.00000000 5.42720420 1 V V5 1 4.60513547 -0.00000000 2.17088168 1 V V6 1 0.76752258 0.00000000 4.34176336 1 [/CIF]
Fe3V4
C2/m
12
monoclinic
2/m
7,551.438075
false
[CIF] data_NiSn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11980673 _cell_length_b 5.11980673 _cell_length_c 5.11980673 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSn2Bi _chemical_formula_sum 'Ni1 Sn2 Bi1' _cell_volume 94.89551868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43037509 5.43037509 5.43037509 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.81012503 1.81012503 1.81012503 1 Sn Sn3 1 3.62025006 3.62025006 3.62025006 1 [/CIF]
BiNiSn2
F-43m
216
cubic
-43m
8,838.436197
false
[CIF] data_Cd2GeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17806982 _cell_length_b 3.17806982 _cell_length_c 8.10754950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2GeP _chemical_formula_sum 'Cd2 Ge1 P1' _cell_volume 81.88728594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58903491 1.58903491 1.91821929 1 Cd Cd1 1 1.58903491 1.58903491 6.18933021 1 Ge Ge2 1 0.00000000 0.00000000 4.05377475 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2GeP
P4/mmm
123
tetragonal
4/mmm
6,660.135422
false
[CIF] data_ZrCu2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79976598 _cell_length_b 4.79976598 _cell_length_c 4.79976598 _cell_angle_alpha 130.78545161 _cell_angle_beta 130.78545161 _cell_angle_gamma 72.15417379 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCu2Mo _chemical_formula_sum 'Zr1 Cu2 Mo1' _cell_volume 61.98209702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.99860443 0.00000000 1.93964650 1 Cu Cu1 1 -0.00000000 1.99860443 1.93964650 1 Mo Mo2 1 0.00000000 0.00000000 3.87929299 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2MoZr
I4/mmm
139
tetragonal
4/mmm
8,420.044615
false
[CIF] data_NbRuBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02258618 _cell_length_b 6.02258618 _cell_length_c 6.02258618 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRuBr4 _chemical_formula_sum 'Nb1 Ru1 Br4' _cell_volume 154.46641688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19508215 3.19508215 5.32214091 1 Br Br1 1 3.19508215 5.32214091 3.19508215 1 Br Br2 1 5.32214091 3.19508215 3.19508215 1 Br Br3 1 5.32214091 5.32214091 5.32214091 1 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1 Ru Ru5 1 2.12930576 2.12930576 2.12930576 1 [/CIF]
Br4NbRu
F-43m
216
cubic
-43m
5,521.201492
false
[CIF] data_Cd2TeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17702825 _cell_length_b 3.17702825 _cell_length_c 8.84701656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2TeRu _chemical_formula_sum 'Cd2 Te1 Ru1' _cell_volume 89.29743701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.23766466 1 Cd Cd1 1 1.58851413 1.58851413 2.55853525 1 Ru Ru2 1 0.00000000 0.00000000 4.51305637 1 Te Te3 1 1.58851413 1.58851413 5.96126848 1 [/CIF]
Cd2RuTe
P4mm
99
tetragonal
4mm
8,433.052415
false
[CIF] data_Ta5Mo11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41523479 _cell_length_b 6.41060312 _cell_length_c 6.41666151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.22936113 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta5Mo11 _chemical_formula_sum 'Ta5 Mo11' _cell_volume 263.88645367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00744771 3.20530156 0.01799564 1 Mo Mo1 1 -0.00368020 3.20530156 3.19731442 1 Mo Mo2 1 1.57786708 4.81554871 4.81739682 1 Mo Mo3 1 1.58609127 4.81658896 1.59119880 1 Mo Mo4 1 4.80973989 4.81496169 1.59789736 1 Mo Mo5 1 0.02086473 0.00000000 0.01034909 1 Mo Mo6 1 3.19609551 0.00000000 0.01735379 1 Mo Mo7 1 3.19308718 0.00000000 3.19712135 1 Mo Mo8 1 1.57786708 1.59505441 4.81739682 1 Mo Mo9 1 1.58609127 1.59401416 1.59119880 1 Mo Mo10 1 4.80973989 1.59564143 1.59789736 1 Ta Ta11 1 3.17314248 3.20530156 0.02933289 1 Ta Ta12 1 3.16600865 3.20530156 3.18895230 1 Ta Ta13 1 4.80556344 4.82018275 4.82675994 1 Ta Ta14 1 0.02580037 0.00000000 3.17473514 1 Ta Ta15 1 4.80556344 1.59042037 4.82675994 1 [/CIF]
Mo11Ta5
Pm
6
monoclinic
m
12,335.433254
false
[CIF] data_BaNb2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02416759 _cell_length_b 3.02416759 _cell_length_c 11.16510572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNb2Ga _chemical_formula_sum 'Ba1 Nb2 Ga1' _cell_volume 102.11147489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 5.58255286 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.51208379 1.51208379 1.85885489 1 Nb Nb3 1 1.51208379 1.51208379 9.30625083 1 [/CIF]
BaGaNb2
P4/mmm
123
tetragonal
4/mmm
6,388.742905
false
[CIF] data_Be2RuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21352620 _cell_length_b 4.21352620 _cell_length_c 4.21352620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2RuBr _chemical_formula_sum 'Be2 Ru1 Br1' _cell_volume 52.89591073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 1.48970647 1.48970647 1.48970647 1 Br Br2 1 2.97941295 2.97941295 2.97941295 1 Ru Ru3 1 4.46911942 4.46911942 4.46911942 1 [/CIF]
Be2BrRu
F-43m
216
cubic
-43m
6,247.071901
false
[CIF] data_MgZrNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77977743 _cell_length_b 4.77977743 _cell_length_c 4.77977743 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrNiPb _chemical_formula_sum 'Mg1 Zr1 Ni1 Pb1' _cell_volume 77.21612859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 3.37981303 3.37981303 3.37981303 1 Pb Pb2 1 1.68990651 1.68990651 1.68990652 1 Zr Zr3 1 5.06971954 5.06971954 5.06971954 1 [/CIF]
MgNiPbZr
F-43m
216
cubic
-43m
8,202.519443
false
[CIF] data_BaVCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97485211 _cell_length_b 4.97485211 _cell_length_c 4.97485211 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaVCo4 _chemical_formula_sum 'Ba1 V1 Co4' _cell_volume 87.06137575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75887583 1.75887583 1.75887583 1 Co Co1 1 2.62629729 2.62629729 4.40920603 1 Co Co2 1 2.62629729 4.40920603 2.62629729 1 Co Co3 1 4.40920603 2.62629729 2.62629729 1 Co Co4 1 4.40920603 4.40920603 4.40920603 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCo4V
F-43m
216
cubic
-43m
8,087.061383
false
[CIF] data_Ba2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57228542 _cell_length_b 7.57228542 _cell_length_c 7.64530076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 144.53130251 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2As _chemical_formula_sum 'Ba4 As2' _cell_volume 254.37225000 _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 As As0 1 2.30654938 -5.53723446 0.46361111 1 As As1 1 2.30654938 5.53723446 4.28626149 1 Ba Ba2 1 2.30654938 -0.07522643 2.25408497 1 Ba Ba3 1 2.30654938 0.07522643 6.07673535 1 Ba Ba4 1 2.30654938 -3.93849387 3.65884836 1 Ba Ba5 1 2.30654938 3.93849387 7.48149874 1 [/CIF]
As2Ba4
Cmc2_1
36
orthorhombic
mm2
4,564.069139
false
[CIF] data_MgSn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03429244 _cell_length_b 5.03429244 _cell_length_c 3.29825436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.79479488 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn2Rh _chemical_formula_sum 'Mg1 Sn2 Rh1' _cell_volume 80.02576584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 3.00175396 0.00000000 0.00000000 1 Sn Sn2 1 1.50087698 -2.02074080 1.64912718 1 Sn Sn3 1 1.50087698 2.02074080 1.64912718 1 [/CIF]
MgRhSn2
Cmmm
65
orthorhombic
mmm
7,566.103039
false
[CIF] data_Rb3CoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02959544 _cell_length_b 7.02959544 _cell_length_c 7.02959544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3CoSb _chemical_formula_sum 'Rb3 Co1 Sb1' _cell_volume 347.36894929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51479772 3.51479772 3.51479772 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Rb Rb2 1 3.51479772 0.00000000 3.51479772 1 Rb Rb3 1 3.51479772 3.51479772 0.00000000 1 Rb Rb4 1 0.00000000 3.51479772 3.51479772 1 [/CIF]
CoRb3Sb
Pm-3m
221
cubic
m-3m
2,089.467045
false
[CIF] data_V2OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26453587 _cell_length_b 4.26453587 _cell_length_c 4.26453587 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2OsRu _chemical_formula_sum 'V2 Os1 Ru1' _cell_volume 54.84036243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.01548223 3.01548223 3.01548223 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.50774112 1.50774112 1.50774112 1 V V3 1 4.52322335 4.52322335 4.52322335 1 [/CIF]
OsRuV2
Fm-3m
225
cubic
m-3m
11,905.386888
false
[CIF] data_GeBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60612773 _cell_length_b 5.60612773 _cell_length_c 5.60612773 _cell_angle_alpha 144.09900709 _cell_angle_beta 144.09900709 _cell_angle_gamma 51.67926789 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBiMo _chemical_formula_sum 'Ge1 Bi1 Mo1' _cell_volume 60.24923713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.00000000 0.00000000 0.07667293 1 Ge Ge1 1 0.00000000 -0.00000000 3.00312181 1 Mo Mo2 1 -0.00000000 -0.00000000 7.01143125 1 [/CIF]
BiGeMo
I4mm
107
tetragonal
4mm
10,406.557891
false
[CIF] data_FeOsPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50922292 _cell_length_b 4.50922292 _cell_length_c 4.50922292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeOsPd3 _chemical_formula_sum 'Fe1 Os1 Pd3' _cell_volume 91.68644151 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 2.25461146 2.25461146 2.25461146 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000000 2.25461146 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 2.25461146 1 Pd Pd4 1 2.25461146 0.00000000 0.00000000 1 [/CIF]
FeOsPd3
Pm-3m
221
cubic
m-3m
10,238.818714
false
[CIF] data_KCaLaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60591381 _cell_length_b 5.60591381 _cell_length_c 5.60591381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaLaAu _chemical_formula_sum 'K1 Ca1 La1 Au1' _cell_volume 124.57309399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.94596950 5.94596951 5.94596951 1 Ca Ca1 1 3.96397967 3.96397967 3.96397967 1 K K2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 1.98198984 1.98198984 1.98198984 1 [/CIF]
AuCaKLa
F-43m
216
cubic
-43m
5,532.526803
false
[CIF] data_CrFeNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46494190 _cell_length_b 2.46494190 _cell_length_c 7.31572042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFeNi2 _chemical_formula_sum 'Cr1 Fe1 Ni2' _cell_volume 44.44986787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.61137276 1 Fe Fe1 1 1.23247095 1.23247095 5.53478963 1 Ni Ni2 1 0.00000000 0.00000000 0.00055365 1 Ni Ni3 1 1.23247095 1.23247095 1.82686458 1 [/CIF]
CrFeNi2
P4mm
99
tetragonal
4mm
8,413.967122
false
[CIF] data_HgF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12446217 _cell_length_b 6.12446217 _cell_length_c 6.12446217 _cell_angle_alpha 146.74213765 _cell_angle_beta 146.74213765 _cell_angle_gamma 47.74574182 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgF _chemical_formula_sum 'Hg2 F2' _cell_volume 68.81399195 _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 F F0 1 -0.00000000 0.00000000 7.70434000 1 F F1 1 -0.00000000 0.00000000 3.49663600 1 Hg Hg2 1 -0.00000000 0.00000000 9.92697000 1 Hg Hg3 1 -0.00000000 0.00000000 1.27400600 1 [/CIF]
F2Hg2
I4/mmm
139
tetragonal
4/mmm
10,597.702931
false
[CIF] data_HfTlVSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03079811 _cell_length_b 5.03079811 _cell_length_c 5.03079811 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlVSn _chemical_formula_sum 'Hf1 Tl1 V1 Sn1' _cell_volume 90.03174547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.33596719 5.33596719 5.33596719 1 Sn Sn1 1 3.55731146 3.55731146 3.55731146 1 Tl Tl2 1 1.77865573 1.77865573 1.77865573 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfSnTlV
F-43m
216
cubic
-43m
10,190.727847
false
[CIF] data_Tl2CrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22939075 _cell_length_b 5.22939075 _cell_length_c 5.22939075 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CrHg _chemical_formula_sum 'Tl2 Cr1 Hg1' _cell_volume 101.12028499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.69773766 3.69773766 3.69773766 1 Tl Tl2 1 1.84886883 1.84886883 1.84886883 1 Tl Tl3 1 5.54660649 5.54660649 5.54660649 1 [/CIF]
CrHgTl2
Fm-3m
225
cubic
m-3m
10,860.353046
false
[CIF] data_BeGaRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98536418 _cell_length_b 2.98536418 _cell_length_c 6.03741413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGaRe2 _chemical_formula_sum 'Be1 Ga1 Re2' _cell_volume 53.80784539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.90191444 1 Ga Ga1 1 1.49268209 1.49268209 4.38315149 1 Re Re2 1 0.00000000 0.00000000 0.10295693 1 Re Re3 1 1.49268209 1.49268209 1.66809828 1 [/CIF]
BeGaRe2
P4mm
99
tetragonal
4mm
13,922.706553
false
[CIF] data_NaAgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.14144043 _cell_length_b 10.14144043 _cell_length_c 10.14144043 _cell_angle_alpha 20.20133233 _cell_angle_beta 20.20133233 _cell_angle_gamma 20.20133233 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAgPb2 _chemical_formula_sum 'Na1 Ag1 Pb2' _cell_volume 108.82976074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.89696993 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 -0.00000000 0.00000000 22.57770671 1 Pb Pb3 1 -0.00000000 0.00000000 7.21623316 1 [/CIF]
AgNaPb2
R-3m
166
trigonal
-3m
8,319.619128
false
[CIF] data_CdCo3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62980048 _cell_length_b 4.62980048 _cell_length_c 4.62980048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCo3Pt _chemical_formula_sum 'Cd1 Co3 Pt1' _cell_volume 99.24001628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.31490024 0.00000000 2.31490024 1 Co Co1 1 2.31490024 2.31490024 0.00000000 1 Co Co2 1 0.00000000 2.31490024 2.31490024 1 Pt Pt3 1 2.31490024 2.31490024 2.31490024 1 Cd Cd4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCo3Pt
Pm-3m
221
cubic
m-3m
8,103.485955
false
[CIF] data_LiMnCoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33179202 _cell_length_b 4.33179202 _cell_length_c 4.33179202 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnCoSn _chemical_formula_sum 'Li1 Mn1 Co1 Sn1' _cell_volume 57.47616621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53151975 1.53151976 1.53151976 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.59455927 4.59455927 4.59455927 1 Sn Sn3 1 3.06303951 3.06303951 3.06303951 1 [/CIF]
CoLiMnSn
F-43m
216
cubic
-43m
6,920.016818
false
[CIF] data_Bi2RhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43917643 _cell_length_b 3.43917643 _cell_length_c 7.62290246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2RhAu _chemical_formula_sum 'Bi2 Rh1 Au1' _cell_volume 90.16319112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 3.81145123 1 Bi Bi1 1 1.71958821 1.71958821 5.92189950 1 Bi Bi2 1 1.71958821 1.71958821 1.70100296 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBi2Rh
P4/mmm
123
tetragonal
4/mmm
13,220.356416
false
[CIF] data_Hf2ReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93750594 _cell_length_b 2.93750594 _cell_length_c 8.76516140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.79847169 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ReTc _chemical_formula_sum 'Hf2 Re1 Tc1' _cell_volume 70.22590385 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.64691282 0.00000000 2.16340145 1 Hf Hf1 1 1.64691282 0.00000000 6.60175995 1 Re Re2 1 0.00000000 0.00000000 4.38258070 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2ReTc
Cmmm
65
orthorhombic
mmm
15,182.72866
false
[CIF] data_BaCr2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27426195 _cell_length_b 5.27426195 _cell_length_c 5.27426195 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCr2In _chemical_formula_sum 'Ba1 Cr2 In1' _cell_volume 103.74569614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.72946639 3.72946639 3.72946639 1 Cr Cr1 1 5.59419959 5.59419959 5.59419959 1 Cr Cr2 1 1.86473320 1.86473320 1.86473320 1 In In3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCr2In
Fm-3m
225
cubic
m-3m
5,700.474876
false
[CIF] data_CrSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01083861 _cell_length_b 4.01083861 _cell_length_c 4.01083861 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSi2 _chemical_formula_sum 'Cr1 Si2' _cell_volume 45.62370636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 4.25413677 4.25413677 4.25413677 1 Si Si2 1 1.41804559 1.41804559 1.41804559 1 [/CIF]
CrSi2
Fm-3m
225
cubic
m-3m
3,936.893988
false
[CIF] data_BaHg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40728337 _cell_length_b 5.40728337 _cell_length_c 5.40728337 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHg2W _chemical_formula_sum 'Ba1 Hg2 W1' _cell_volume 111.79500277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.82352674 3.82352674 3.82352674 1 Hg Hg2 1 1.91176337 1.91176337 1.91176337 1 W W3 1 5.73529011 5.73529011 5.73529011 1 [/CIF]
BaHg2W
F-43m
216
cubic
-43m
10,729.329428
false
[CIF] data_Re4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55111907 _cell_length_b 7.55111907 _cell_length_c 7.55111907 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re4Ru _chemical_formula_sum 'Re16 Ru4' _cell_volume 331.44545300 _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 Re Re0 1 -1.49064658 1.49064658 1.49064658 1 Re Re1 1 2.86899405 2.86899405 2.86899405 1 Re Re2 1 1.49064658 1.49064658 -1.49064658 1 Re Re3 1 1.49064658 -1.49064658 1.49064658 1 Re Re4 1 0.00000000 -0.00000000 2.93752272 1 Re Re5 1 0.00000000 -0.00000000 5.78175854 1 Re Re6 1 0.00000000 2.93752272 -0.00000000 1 Re Re7 1 0.00000000 5.78175854 -0.00000000 1 Re Re8 1 5.78175854 0.00000000 -0.00000000 1 Re Re9 1 2.93752272 0.00000000 -0.00000000 1 Re Re10 1 0.00000000 4.35964063 2.17982032 1 Re Re11 1 4.35964063 -0.00000000 2.17982031 1 Re Re12 1 4.35964063 2.17982031 -0.00000000 1 Re Re13 1 0.00000000 2.17982031 4.35964063 1 Re Re14 1 2.17982032 4.35964063 -0.00000000 1 Re Re15 1 2.17982032 -0.00000000 4.35964063 1 Ru Ru16 1 -2.88549315 2.88549315 2.88549315 1 Ru Ru17 1 1.47414748 1.47414748 1.47414748 1 Ru Ru18 1 2.88549315 2.88549315 -2.88549315 1 Ru Ru19 1 2.88549315 -2.88549315 2.88549315 1 [/CIF]
Re16Ru4
I-43m
217
cubic
-43m
16,951.768837
false
[CIF] data_Hf4MnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53086694 _cell_length_b 5.53086694 _cell_length_c 5.53086694 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4MnPd _chemical_formula_sum 'Hf4 Mn1 Pd1' _cell_volume 119.63675749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.89420867 2.92761837 2.92761837 1 Hf Hf1 1 2.92761837 2.92761837 4.89420867 1 Hf Hf2 1 2.92761837 4.89420867 2.92761837 1 Hf Hf3 1 4.89420867 4.89420867 4.89420867 1 Mn Mn4 1 0.00000000 0.00000000 0.00000000 1 Pd Pd5 1 1.95545676 1.95545676 1.95545676 1 [/CIF]
Hf4MnPd
F-43m
216
cubic
-43m
12,149.27452
false
[CIF] data_NaMgZnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53707305 _cell_length_b 4.53707305 _cell_length_c 4.53707305 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgZnOs _chemical_formula_sum 'Na1 Mg1 Zn1 Os1' _cell_volume 66.04079875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.60409756 1.60409756 1.60409756 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.81229268 4.81229268 4.81229268 1 Zn Zn3 1 3.20819512 3.20819512 3.20819512 1 [/CIF]
MgNaOsZn
F-43m
216
cubic
-43m
7,616.279821
false
[CIF] data_CoBiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25130474 _cell_length_b 3.25130474 _cell_length_c 9.96799278 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoBiBr2 _chemical_formula_sum 'Co1 Bi1 Br2' _cell_volume 105.37147736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 4.98399639 1 Br Br1 1 1.62565237 1.62565237 8.37721716 1 Br Br2 1 1.62565237 1.62565237 1.59077562 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiBr2Co
P4/mmm
123
tetragonal
4/mmm
6,740.423841
false
[CIF] data_Cr2ReAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98057818 _cell_length_b 2.98057818 _cell_length_c 5.91543524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2ReAs _chemical_formula_sum 'Cr2 Re1 As1' _cell_volume 52.55181739 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55158533 1 Cr Cr1 1 1.49028909 1.49028909 0.05056195 1 Cr Cr2 1 0.00000000 0.00000000 1.34163213 1 Re Re3 1 1.49028909 1.49028909 2.92937340 1 [/CIF]
AsCr2Re
P4mm
99
tetragonal
4mm
11,537.133871
false
[CIF] data_Li4VRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76190496 _cell_length_b 4.76190496 _cell_length_c 4.76190496 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4VRh _chemical_formula_sum 'Li4 V1 Rh1' _cell_volume 76.35318760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.19735923 4.19735923 2.53699135 1 Li Li1 1 4.19735923 2.53699135 4.19735923 1 Li Li2 1 2.53699135 4.19735923 4.19735923 1 Li Li3 1 2.53699135 2.53699135 2.53699135 1 Rh Rh4 1 5.05076293 5.05076293 5.05076293 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li4RhV
F-43m
216
cubic
-43m
3,949.699678
false
[CIF] data_Mn2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20103710 _cell_length_b 3.20103710 _cell_length_c 6.45825402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.48569297 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2TePt _chemical_formula_sum 'Mn2 Te1 Pt1' _cell_volume 65.97269214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 2.17315983 0.00000000 6.38163497 1 Mn Mn1 1 0.00000000 0.00000000 4.88491549 1 Pt Pt2 1 2.17315983 0.00000000 3.53553978 1 Te Te3 1 0.00000000 0.00000000 1.34354475 1 [/CIF]
Mn2PtTe
Cmm2
35
orthorhombic
mm2
10,887.579463
false
[CIF] data_Fe2PIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12315429 _cell_length_b 4.12315429 _cell_length_c 4.12315429 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2PIr _chemical_formula_sum 'Fe2 P1 Ir1' _cell_volume 49.56484617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.45775518 1.45775518 1.45775518 1 Fe Fe1 1 2.91551036 2.91551036 2.91551036 1 Ir Ir2 1 4.37326554 4.37326554 4.37326554 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2IrP
F-43m
216
cubic
-43m
11,219.294136
false
[CIF] data_GaTe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20101752 _cell_length_b 5.20101752 _cell_length_c 5.20101752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTe2Se _chemical_formula_sum 'Ga1 Te2 Se1' _cell_volume 99.48324737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 1.83883738 1.83883738 1.83883738 1 Te Te2 1 3.67767476 3.67767476 3.67767476 1 Te Te3 1 5.51651214 5.51651214 5.51651214 1 [/CIF]
GaSeTe2
F-43m
216
cubic
-43m
6,741.471731
false
[CIF] data_NbZnNiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41110430 _cell_length_b 4.41110430 _cell_length_c 4.41110430 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnNiW _chemical_formula_sum 'Nb1 Zn1 Ni1 W1' _cell_volume 60.69137560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11912176 3.11912176 3.11912176 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.67868264 4.67868264 4.67868264 1 Zn Zn3 1 1.55956088 1.55956088 1.55956088 1 [/CIF]
NbNiWZn
F-43m
216
cubic
-43m
10,966.581277
false
[CIF] data_LiRe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04167187 _cell_length_b 4.14989142 _cell_length_c 5.46899821 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRe2Br _chemical_formula_sum 'Li1 Re2 Br1' _cell_volume 69.03302053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.52083594 2.07494571 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.00000000 2.07494571 2.73449911 1 Re Re3 1 1.52083594 0.00000000 2.73449911 1 [/CIF]
BrLiRe2
Pmmm
47
orthorhombic
mmm
11,047.140995
false
[CIF] data_KAlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86200553 _cell_length_b 4.86200553 _cell_length_c 4.86200553 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlCu _chemical_formula_sum 'K1 Al1 Cu1' _cell_volume 81.27020354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 5.15693562 5.15693562 5.15693562 1 K K2 1 3.43795708 3.43795708 3.43795708 1 [/CIF]
AlCuK
F-43m
216
cubic
-43m
2,648.557032
false
[CIF] data_SrZrTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44358913 _cell_length_b 6.44358913 _cell_length_c 6.44358913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrTe4 _chemical_formula_sum 'Sr1 Zr1 Te4' _cell_volume 189.17708233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 5.68726433 5.68726433 3.42534681 1 Te Te2 1 5.68726433 3.42534681 5.68726433 1 Te Te3 1 3.42534681 5.68726433 5.68726433 1 Te Te4 1 3.42534681 3.42534681 3.42534681 1 Zr Zr5 1 6.83445836 6.83445836 6.83445836 1 [/CIF]
SrTe4Zr
F-43m
216
cubic
-43m
6,049.97484
false
[CIF] data_Fe3ClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28720531 _cell_length_b 4.28720531 _cell_length_c 4.28720531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3ClO _chemical_formula_sum 'Fe3 Cl1 O1' _cell_volume 78.79938823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14360266 0.00000000 2.14360266 1 Fe Fe1 1 2.14360266 2.14360266 0.00000000 1 Fe Fe2 1 0.00000000 2.14360266 2.14360266 1 O O3 1 0.00000000 0.00000000 0.00000000 1 Cl Cl4 1 2.14360266 2.14360266 2.14360266 1 [/CIF]
ClFe3O
Pm-3m
221
cubic
m-3m
4,614.720253
false
[CIF] data_Ga2SeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07167929 _cell_length_b 5.07167929 _cell_length_c 3.58127196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2SeBr _chemical_formula_sum 'Ga2 Se1 Br1' _cell_volume 92.11722960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53583964 2.53583964 0.00000000 1 Ga Ga1 1 2.53583964 0.00000000 1.79063598 1 Ga Ga2 1 0.00000000 2.53583964 1.79063598 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrGa2Se
P4/mmm
123
tetragonal
4/mmm
5,377.445795
false
[CIF] data_NaSrTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.71017296 _cell_length_b 10.71017296 _cell_length_c 10.71017296 _cell_angle_alpha 21.01318916 _cell_angle_beta 21.01318916 _cell_angle_gamma 21.01318916 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrTl2 _chemical_formula_sum 'Na1 Sr1 Tl2' _cell_volume 138.33698080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 -0.00000000 0.00000000 15.70509781 1 Tl Tl2 1 -0.00000000 -0.00000000 23.47522448 1 Tl Tl3 1 -0.00000000 0.00000000 7.93497114 1 [/CIF]
NaSrTl2
R-3m
166
trigonal
-3m
6,234.375983
false
[CIF] data_YZrAlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76894644 _cell_length_b 4.76894644 _cell_length_c 4.76894644 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrAlNi _chemical_formula_sum 'Y1 Zr1 Al1 Ni1' _cell_volume 76.69240166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.05823155 5.05823156 5.05823156 1 Y Y2 1 3.37215437 3.37215437 3.37215437 1 Zr Zr3 1 1.68607719 1.68607719 1.68607718 1 [/CIF]
AlNiYZr
F-43m
216
cubic
-43m
5,755.188598
false
[CIF] data_NbTcP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01248693 _cell_length_b 3.01248693 _cell_length_c 6.12235388 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTcP2 _chemical_formula_sum 'Nb1 Tc1 P2' _cell_volume 55.56083596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 1.50624346 1.50624346 1.59242559 1 P P2 1 1.50624346 1.50624346 4.52992829 1 Tc Tc3 1 0.00000000 0.00000000 3.06117694 1 [/CIF]
NbP2Tc
P4/mmm
123
tetragonal
4/mmm
7,584.10763
false
[CIF] data_TaZnSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95207240 _cell_length_b 3.84098709 _cell_length_c 5.54837929 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.09140347 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnSi2 _chemical_formula_sum 'Ta1 Zn1 Si2' _cell_volume 62.87045543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 2.85625238 1.92049355 1.52065049 1 Si Si1 1 -0.10666126 1.92049355 4.02403291 1 Ta Ta2 1 1.37479556 0.00000000 2.77234170 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Si2TaZn
P2/m
10
monoclinic
2/m
7,989.622541
false
[CIF] data_CaTlSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76878347 _cell_length_b 4.76878347 _cell_length_c 4.73997165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTlSn2 _chemical_formula_sum 'Ca1 Tl1 Sn2' _cell_volume 107.79309730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 2.38439173 2.36998583 1 Sn Sn2 1 2.38439173 0.00000000 2.36998583 1 Tl Tl3 1 2.38439173 2.38439173 0.00000000 1 [/CIF]
CaSn2Tl
P4/mmm
123
tetragonal
4/mmm
7,423.320641
false
[CIF] data_TlBTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46227315 _cell_length_b 4.46227315 _cell_length_c 9.46717819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 136.32265554 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBTe2 _chemical_formula_sum 'Tl1 B1 Te2' _cell_volume 130.18388216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 1.65994080 0.00000000 1.64789150 1 Te Te2 1 1.65994080 0.00000000 7.81928669 1 Tl Tl3 1 0.00000000 0.00000000 4.73358909 1 [/CIF]
BTe2Tl
Cmmm
65
orthorhombic
mmm
6,000.037016
false
[CIF] data_ScMnOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83123530 _cell_length_b 2.83123530 _cell_length_c 7.38972818 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnOs2 _chemical_formula_sum 'Sc1 Mn1 Os2' _cell_volume 59.23527278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41561765 1.41561765 5.74089212 1 Os Os1 1 0.00000000 0.00000000 7.24769753 1 Os Os2 1 1.41561765 1.41561765 1.68856028 1 Sc Sc3 1 0.00000000 0.00000000 3.79717052 1 [/CIF]
MnOs2Sc
P4mm
99
tetragonal
4mm
13,465.735429
false
[CIF] data_Ba2TlAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18146861 _cell_length_b 4.18146861 _cell_length_c 9.37432081 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.44390639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TlAs _chemical_formula_sum 'Ba2 Tl1 As1' _cell_volume 163.41423837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.79295955 1 Ba Ba1 1 2.83988673 0.00000000 0.88238766 1 Ba Ba2 1 0.00000000 0.00000000 6.23161866 1 Tl Tl3 1 2.83988673 0.00000000 4.15451525 1 [/CIF]
AsBa2Tl
Cmm2
35
orthorhombic
mm2
5,629.071272
false
[CIF] data_Sn2RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08383205 _cell_length_b 5.08383205 _cell_length_c 5.08383205 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2RhPb _chemical_formula_sum 'Sn2 Rh1 Pb1' _cell_volume 92.90917152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 3.59481212 3.59481212 3.59481212 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.39221818 5.39221818 5.39221818 1 Sn Sn3 1 1.79740606 1.79740606 1.79740606 1 [/CIF]
PbRhSn2
Fm-3m
225
cubic
m-3m
9,785.766764
false
[CIF] data_AlFe6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30742087 _cell_length_b 6.30742087 _cell_length_c 10.28574679 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.42393841 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFe6Mo _chemical_formula_sum 'Al4 Fe24 Mo4' _cell_volume 385.91328896 _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 Al Al0 1 3.64371579 -2.54448970 0.00000000 1 Al Al1 1 3.64371579 2.54448970 0.00000000 1 Al Al2 1 0.00000000 0.00000000 7.68090291 1 Al Al3 1 0.00000000 0.00000000 2.60484388 1 Fe Fe4 1 3.64371579 -2.58238708 7.73045131 1 Fe Fe5 1 1.79119745 -1.29894788 9.00873358 1 Fe Fe6 1 5.49623413 1.29894788 9.00873358 1 Fe Fe7 1 3.64371579 2.58238708 7.73045131 1 Fe Fe8 1 5.49623413 -1.29894788 9.00873358 1 Fe Fe9 1 1.79119745 1.29894788 9.00873358 1 Fe Fe10 1 0.00000000 0.00000000 5.14287339 1 Fe Fe11 1 5.47011667 1.27779085 6.42283286 1 Fe Fe12 1 5.47011667 -1.27779085 6.42283286 1 Fe Fe13 1 3.64371579 -2.58238708 2.55529548 1 Fe Fe14 1 1.81731491 -1.27779085 3.86291393 1 Fe Fe15 1 5.47011667 1.27779085 3.86291393 1 Fe Fe16 1 3.64371579 2.58238708 2.55529548 1 Fe Fe17 1 5.47011667 -1.27779085 3.86291393 1 Fe Fe18 1 1.81731491 1.27779085 3.86291393 1 Fe Fe19 1 0.00000000 0.00000000 0.00000000 1 Fe Fe20 1 5.49623413 1.29894788 1.27701321 1 Fe Fe21 1 5.49623413 -1.29894788 1.27701321 1 Fe Fe22 1 3.64371579 0.00000000 5.14287339 1 Fe Fe23 1 1.81731491 1.27779085 6.42283286 1 Fe Fe24 1 1.81731491 -1.27779085 6.42283286 1 Fe Fe25 1 3.64371579 0.00000000 0.00000000 1 Fe Fe26 1 1.79119745 1.29894788 1.27701321 1 Fe Fe27 1 1.79119745 -1.29894788 1.27701321 1 Mo Mo28 1 3.64371579 -2.53644849 5.14287339 1 Mo Mo29 1 3.64371579 2.53644849 5.14287339 1 Mo Mo30 1 3.64371579 0.00000000 7.66168430 1 Mo Mo31 1 3.64371579 0.00000000 2.62406249 1 [/CIF]
Al4Fe24Mo4
Cmmm
65
orthorhombic
mmm
7,883.077101
false
[CIF] data_Ca2TaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93904870 _cell_length_b 2.93904870 _cell_length_c 10.32291096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.88252284 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TaOs _chemical_formula_sum 'Ca2 Ta1 Os1' _cell_volume 84.37065147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70916635 0.00000000 2.87021540 1 Ca Ca1 1 1.70916635 0.00000000 7.45269556 1 Os Os2 1 0.00000000 0.00000000 5.16145548 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2OsTa
Cmmm
65
orthorhombic
mmm
8,882.91754
false
[CIF] data_SrZn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63803355 _cell_length_b 4.35665425 _cell_length_c 6.03159162 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.87530407 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZn3 _chemical_formula_sum 'Sr1 Zn3' _cell_volume 93.19503724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 1.14700715 0.00000000 2.93997065 1 Zn Zn1 1 2.80473887 2.17832713 1.07595000 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 -0.51072457 2.17832713 4.80399131 1 [/CIF]
SrZn3
P2/m
10
monoclinic
2/m
5,056.004907
false
[CIF] data_AgSb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17539723 _cell_length_b 5.17539723 _cell_length_c 5.17539723 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSb2Br _chemical_formula_sum 'Ag1 Sb2 Br1' _cell_volume 98.02030973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.65955848 3.65955848 3.65955848 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 5.48933772 5.48933772 5.48933772 1 Sb Sb3 1 1.82977924 1.82977924 1.82977924 1 [/CIF]
AgBrSb2
Fm-3m
225
cubic
m-3m
7,306.419957
false
[CIF] data_SrPdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41018473 _cell_length_b 4.41018473 _cell_length_c 4.33253223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.03397409 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPdAu2 _chemical_formula_sum 'Sr1 Pd1 Au2' _cell_volume 84.25285813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54510330 1.57324128 2.16626611 1 Au Au1 1 1.54510330 -1.57324128 2.16626611 1 Pd Pd2 1 3.09020660 -0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2PdSr
Cmmm
65
orthorhombic
mmm
11,588.358987
false
[CIF] data_TaBe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94805432 _cell_length_b 4.94805432 _cell_length_c 4.59967331 _cell_angle_alpha 97.47758635 _cell_angle_beta 97.47758635 _cell_angle_gamma 34.71883649 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBe2Te _chemical_formula_sum 'Ta1 Be2 Te1' _cell_volume 63.54079057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.11565329 0.00000000 0.13067761 1 Be Be1 1 6.99630408 0.00000000 1.09189749 1 Ta Ta2 1 4.32657775 -0.00000000 2.21409059 1 Te Te3 1 1.78876468 -0.00000000 3.39840909 1 [/CIF]
Be2TaTe
Cm
8
monoclinic
m
8,534.454235
false
[CIF] data_CrAgW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43239569 _cell_length_b 4.43239569 _cell_length_c 4.43239569 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAgW2 _chemical_formula_sum 'Cr1 Ag1 W2' _cell_volume 61.57445466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13417705 3.13417705 3.13417705 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.70126557 4.70126558 4.70126558 1 W W3 1 1.56708853 1.56708853 1.56708852 1 [/CIF]
AgCrW2
Fm-3m
225
cubic
m-3m
14,226.8076
false
[CIF] data_SiAgB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20218499 _cell_length_b 4.20218499 _cell_length_c 4.20218499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAgB3 _chemical_formula_sum 'Si1 Ag1 B3' _cell_volume 74.20368984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 B B1 1 2.10109250 0.00000000 2.10109250 1 B B2 1 2.10109250 2.10109250 0.00000000 1 B B3 1 0.00000000 2.10109250 2.10109250 1 Ag Ag4 1 2.10109250 2.10109250 2.10109250 1 [/CIF]
AgB3Si
Pm-3m
221
cubic
m-3m
3,768.177759
false
[CIF] data_OsRhBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07235377 _cell_length_b 3.07235377 _cell_length_c 8.55715305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsRhBr2 _chemical_formula_sum 'Os1 Rh1 Br2' _cell_volume 80.77402843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.53617688 1.53617688 7.92434782 1 Br Br1 1 0.00000000 0.00000000 2.77890037 1 Os Os2 1 1.53617688 1.53617688 4.58691257 1 Rh Rh3 1 0.00000000 0.00000000 6.10272187 1 [/CIF]
Br2OsRh
P4mm
99
tetragonal
4mm
9,311.537277
false
[CIF] data_CoNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97968418 _cell_length_b 4.97968418 _cell_length_c 4.97968418 _cell_angle_alpha 142.22937456 _cell_angle_beta 142.22937456 _cell_angle_gamma 54.48343730 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoNiPb _chemical_formula_sum 'Co1 Ni1 Pb1' _cell_volume 46.00720588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.61273497 1 Ni Ni1 1 -0.00000000 0.00000000 3.19055068 1 Pb Pb2 1 0.00000000 0.00000000 5.90613075 1 [/CIF]
CoNiPb
I4mm
107
tetragonal
4mm
11,724.000369
false
[CIF] data_YCuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55410106 _cell_length_b 4.55410106 _cell_length_c 4.55410106 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCuW _chemical_formula_sum 'Y1 Cu1 W1' _cell_volume 66.78716255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 4.83035361 4.83035361 4.83035361 1 Y Y2 1 3.22023574 3.22023574 3.22023574 1 [/CIF]
CuWY
F-43m
216
cubic
-43m
8,361.273834
false
[CIF] data_Zr2IrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07882785 _cell_length_b 3.07882785 _cell_length_c 7.71695581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2IrCl _chemical_formula_sum 'Zr2 Ir1 Cl1' _cell_volume 73.15042035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 3.85847790 1 Zr Zr2 1 1.53941393 1.53941393 5.69415039 1 Zr Zr3 1 1.53941393 1.53941393 2.02280542 1 [/CIF]
ClIrZr2
P4/mmm
123
tetragonal
4/mmm
9,309.816097
false
[CIF] data_NaCdPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66579002 _cell_length_b 4.66579002 _cell_length_c 4.66579002 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdPdW _chemical_formula_sum 'Na1 Cd1 Pd1 W1' _cell_volume 71.82250870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64960588 1.64960588 1.64960588 1 Na Na1 1 0.00000000 -0.00000000 0.00000000 1 Pd Pd2 1 4.94881764 4.94881764 4.94881764 1 W W3 1 3.29921176 3.29921176 3.29921176 1 [/CIF]
CdNaPdW
F-43m
216
cubic
-43m
9,841.292783
false
[CIF] data_ZrTi2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09013855 _cell_length_b 3.09013855 _cell_length_c 8.25782508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi2Hg _chemical_formula_sum 'Zr1 Ti2 Hg1' _cell_volume 78.85361036 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 4.12891254 1 Ti Ti1 1 1.54506927 1.54506927 6.15745594 1 Ti Ti2 1 1.54506927 1.54506927 2.10036914 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgTi2Zr
P4/mmm
123
tetragonal
4/mmm
8,161.618288
false
[CIF] data_SrRePbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90061217 _cell_length_b 4.90061217 _cell_length_c 4.90061217 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRePbW _chemical_formula_sum 'Sr1 Re1 Pb1 W1' _cell_volume 83.22158938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.19788415 5.19788415 5.19788415 1 Re Re1 1 3.46525610 3.46525610 3.46525610 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.73262805 1.73262805 1.73262805 1 [/CIF]
PbReSrW
F-43m
216
cubic
-43m
13,266.240597
false
[CIF] data_Zr2ZnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43143789 _cell_length_b 3.43143789 _cell_length_c 6.43670941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ZnMo _chemical_formula_sum 'Zr2 Zn1 Mo1' _cell_volume 75.79074691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21835470 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.71571894 1.71571894 1.66786740 1 Zr Zr3 1 1.71571894 1.71571894 4.76884201 1 [/CIF]
MoZnZr2
P4/mmm
123
tetragonal
4/mmm
7,532.652589
false
[CIF] data_Co2CuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19576061 _cell_length_b 3.13726404 _cell_length_c 6.33005386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.77299301 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2CuBr _chemical_formula_sum 'Co2 Cu1 Br1' _cell_volume 63.45899509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.55518136 0.00000000 3.16473889 1 Co Co1 1 1.44575203 1.56863202 5.18530916 1 Co Co2 1 1.66461068 1.56863202 1.14416862 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCo2Cu
P2/m
10
monoclinic
2/m
6,837.897034
false
[CIF] data_TiAlCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25801027 _cell_length_b 4.25801027 _cell_length_c 5.68272378 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlCu5 _chemical_formula_sum 'Ti1 Al1 Cu5' _cell_volume 103.03148420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.12900513 2.12900513 0.00000000 1 Cu Cu2 1 0.00000000 2.12900513 1.43013393 1 Cu Cu3 1 2.12900513 0.00000000 1.43013393 1 Cu Cu4 1 0.00000000 2.12900513 4.25258985 1 Cu Cu5 1 2.12900513 0.00000000 4.25258985 1 Ti Ti6 1 0.00000000 0.00000000 2.84136189 1 [/CIF]
AlCu5Ti
P4/mmm
123
tetragonal
4/mmm
6,327.114524
false
[CIF] data_Al2PbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28576914 _cell_length_b 3.28576914 _cell_length_c 7.82250799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.33874272 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2PbAu _chemical_formula_sum 'Al2 Pb1 Au1' _cell_volume 84.21194982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23377573 0.00000000 6.28222331 1 Al Al1 1 2.23377573 0.00000000 1.54028468 1 Au Au2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 3.91125400 1 [/CIF]
Al2AuPb
Cmmm
65
orthorhombic
mmm
9,033.660623
false
[CIF] data_ZnCo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10501769 _cell_length_b 4.10501769 _cell_length_c 3.04081051 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCo2Se _chemical_formula_sum 'Zn1 Co2 Se1' _cell_volume 51.24121556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05250885 1.52040526 1 Co Co1 1 2.05250885 0.00000000 1.52040526 1 Se Se2 1 2.05250885 2.05250885 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2SeZn
P4/mmm
123
tetragonal
4/mmm
8,497.143352
false
[CIF] data_AlIrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87925430 _cell_length_b 6.61613826 _cell_length_c 2.75228428 _cell_angle_alpha 83.65599299 _cell_angle_beta 72.91361076 _cell_angle_gamma 23.43039626 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIrRu _chemical_formula_sum 'Al1 Ir1 Ru1' _cell_volume 43.24092340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.41848767 2.35859312 12.91907018 1 Ir Ir1 1 1.41848767 2.35859312 8.52870572 1 Ru Ru2 1 1.41848767 2.35859312 4.40137982 1 [/CIF]
AlIrRu
Fmm2
42
orthorhombic
mm2
12,298.960761
false
[CIF] data_CaGa2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40897291 _cell_length_b 3.40897291 _cell_length_c 6.85477937 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGa2Pt _chemical_formula_sum 'Ca1 Ga2 Pt1' _cell_volume 79.66005126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.02861247 1 Ga Ga1 1 1.70448646 1.70448646 0.33089494 1 Ga Ga2 1 0.00000000 0.00000000 1.90362316 1 Pt Pt3 1 1.70448646 1.70448646 3.01903855 1 [/CIF]
CaGa2Pt
P4mm
99
tetragonal
4mm
7,809.013767
false
[CIF] data_KRe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16592859 _cell_length_b 4.16592859 _cell_length_c 7.06675499 _cell_angle_alpha 107.87530711 _cell_angle_beta 107.87530711 _cell_angle_gamma 60.94297773 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRe2Se _chemical_formula_sum 'K1 Re2 Se1' _cell_volume 100.17789134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 -0.09139942 0.00000000 4.92320090 1 Re Re1 1 -0.00985727 0.00000000 0.94745122 1 Re Re2 1 4.76227200 0.00000000 1.43645242 1 Se Se3 1 2.33551492 0.00000000 2.59802385 1 [/CIF]
KRe2Se
Cm
8
monoclinic
m
8,130.021548
false
[CIF] data_ZrCoAgC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26359974 _cell_length_b 4.26359974 _cell_length_c 4.26359974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCoAgC _chemical_formula_sum 'Zr1 Co1 Ag1 C1' _cell_volume 54.80425544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 1.50741014 1.50741014 1.50741014 1 Co Co1 1 4.52223043 4.52223043 4.52223043 1 Ag Ag2 1 3.01482028 3.01482028 3.01482028 1 C C3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CAgCoZr
F-43m
216
cubic
-43m
8,181.946485
false
[CIF] data_BeTcHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40915530 _cell_length_b 4.40915530 _cell_length_c 4.40915530 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTcHgMo _chemical_formula_sum 'Be1 Tc1 Hg1 Mo1' _cell_volume 60.61096367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.11774361 3.11774361 3.11774361 1 Mo Mo2 1 1.55887181 1.55887180 1.55887181 1 Tc Tc3 1 4.67661542 4.67661542 4.67661542 1 [/CIF]
BeHgMoTc
F-43m
216
cubic
-43m
11,081.090101
false
[CIF] data_KMgNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45402778 _cell_length_b 3.45402778 _cell_length_c 8.94097071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgNb2 _chemical_formula_sum 'K1 Mg1 Nb2' _cell_volume 106.66853354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.72701389 1.72701389 4.37543765 1 Mg Mg1 1 0.00000000 0.00000000 7.39628954 1 Nb Nb2 1 1.72701389 1.72701389 0.23326242 1 Nb Nb3 1 0.00000000 0.00000000 1.40646646 1 [/CIF]
KMgNb2
P4mm
99
tetragonal
4mm
3,879.616508
false
[CIF] data_Hf2AlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19244652 _cell_length_b 4.93128502 _cell_length_c 5.63560449 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.61946583 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2AlBi _chemical_formula_sum 'Hf2 Al1 Bi1' _cell_volume 88.62784920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 1.46744299 0.00000000 2.81485792 1 Hf Hf2 1 0.60602427 2.46564251 4.33085832 1 Hf Hf3 1 2.32886172 2.46564251 1.29885753 1 [/CIF]
AlBiHf2
P2/m
10
monoclinic
2/m
11,109.411569
false
[CIF] data_ScTlSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83476157 _cell_length_b 5.83476157 _cell_length_c 5.83476157 _cell_angle_alpha 134.37577533 _cell_angle_beta 134.37577533 _cell_angle_gamma 66.50166635 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlSn2 _chemical_formula_sum 'Sc1 Tl1 Sn2' _cell_volume 99.88381798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 2.26219809 -0.00000000 2.43974190 1 Sn Sn2 1 -0.00000000 2.26219809 2.43974190 1 Tl Tl3 1 0.00000000 -0.00000000 4.87948380 1 [/CIF]
ScSn2Tl
I4/mmm
139
tetragonal
4/mmm
8,092.228591
false
[CIF] data_TcAg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83357761 _cell_length_b 4.83357761 _cell_length_c 4.83357761 _cell_angle_alpha 130.08218240 _cell_angle_beta 130.08218240 _cell_angle_gamma 73.27541688 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAg2W _chemical_formula_sum 'Tc1 Ag2 W1' _cell_volume 64.54013423 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.87858305 1 Ag Ag1 1 0.00000000 2.03961590 1.93929153 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.03961590 -0.00000000 1.93929153 1 [/CIF]
Ag2TcW
I-4m2
119
tetragonal
-42m
12,825.350322
false
[CIF] data_Rb2CeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90867987 _cell_length_b 5.90867987 _cell_length_c 5.90867987 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2CeRe _chemical_formula_sum 'Rb2 Ce1 Re1' _cell_volume 145.86677606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Rb Rb1 1 6.26710141 6.26710141 6.26710141 1 Rb Rb2 1 2.08903380 2.08903380 2.08903380 1 Re Re3 1 4.17806760 4.17806760 4.17806760 1 [/CIF]
CeRb2Re
Fm-3m
225
cubic
m-3m
5,660.763567
false
[CIF] data_ScBeFeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26250486 _cell_length_b 4.26250486 _cell_length_c 4.26250486 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBeFeRe _chemical_formula_sum 'Sc1 Be1 Fe1 Re1' _cell_volume 54.76204567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 3.01404609 3.01404609 3.01404609 1 Re Re2 1 1.50702304 1.50702305 1.50702305 1 Sc Sc3 1 4.52106914 4.52106913 4.52106913 1 [/CIF]
BeFeReSc
F-43m
216
cubic
-43m
8,976.160853
false