Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
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_LaNp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87988600 _cell_length_b 3.87988600 _cell_length_c 3.87988600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNp _chemical_formula_sum 'La1 Np1' _cell_volume 58.40592355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Np Np1 1 1.93994300 1.93994300 1.93994300 1 [/CIF]
LaNp
Pm-3m
221
cubic
m-3m
10,687.370054
false
[CIF] data_K2BCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68290063 _cell_length_b 3.68290063 _cell_length_c 8.15744766 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BCl _chemical_formula_sum 'K2 B1 Cl1' _cell_volume 110.64563829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 0.00000000 0.00000000 4.07872383 1 K K2 1 1.84145032 1.84145032 5.99510382 1 K K3 1 1.84145032 1.84145032 2.16234384 1 [/CIF]
BClK2
P4/mmm
123
tetragonal
4/mmm
1,867.870228
false
[CIF] data_Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23776116 _cell_length_b 4.23776116 _cell_length_c 4.23776116 _cell_angle_alpha 97.78375255 _cell_angle_beta 97.78375255 _cell_angle_gamma 136.81357216 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc _chemical_formula_sum Sc2 _cell_volume 48.42862206 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 -0.00000000 2.78625204 0.77977862 1 Sc Sc1 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
Sc2
I4_1/amd
141
tetragonal
4/mmm
3,082.930919
false
[CIF] data_VReNiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47568712 _cell_length_b 4.47568712 _cell_length_c 4.47568712 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VReNiBi _chemical_formula_sum 'V1 Re1 Ni1 Bi1' _cell_volume 63.39633586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.58239435 1.58239436 1.58239436 1 Ni Ni1 1 4.74718306 4.74718306 4.74718306 1 Re Re2 1 3.16478871 3.16478871 3.16478871 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiNiReV
F-43m
216
cubic
-43m
13,222.801278
false
[CIF] data_Cd2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93717095 _cell_length_b 2.93717095 _cell_length_c 7.43625973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2Tc _chemical_formula_sum 'Cd2 Tc1' _cell_volume 55.55761981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69577644 2.35633171 1 Cd Cd1 1 1.46858548 0.84788822 5.07992802 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2Tc
P-3m1
164
trigonal
-3m
9,675.780283
false
[CIF] data_MgBe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24221432 _cell_length_b 4.24221432 _cell_length_c 3.96805288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBe2Bi _chemical_formula_sum 'Mg1 Be2 Bi1' _cell_volume 71.41059676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12110716 1.98402644 1 Be Be1 1 2.12110716 0.00000000 1.98402644 1 Bi Bi2 1 2.12110716 2.12110716 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2BiMg
P4/mmm
123
tetragonal
4/mmm
5,843.8061
false
[CIF] data_Ti2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62744295 _cell_length_b 4.62744295 _cell_length_c 5.07973684 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Rh _chemical_formula_sum 'Ti4 Rh2' _cell_volume 94.20067007 _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 Rh Rh0 1 0.00000000 2.67165543 3.80980263 1 Rh Rh1 1 2.31372148 1.33582772 1.26993421 1 Ti Ti2 1 0.00000000 0.00000000 2.53986842 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 Ti Ti4 1 0.00000000 2.67165543 1.26993421 1 Ti Ti5 1 2.31372148 1.33582772 3.80980263 1 [/CIF]
Rh2Ti4
P6_3/mmc
194
hexagonal
6/mmm
7,003.106143
false
[CIF] data_ScTi3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61565271 _cell_length_b 4.61565271 _cell_length_c 4.61565271 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTi3P _chemical_formula_sum 'Sc1 Ti3 P1' _cell_volume 98.33301897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 2.30782635 2.30782635 2.30782635 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 0.00000000 2.30782635 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 2.30782635 1 Ti Ti4 1 2.30782635 0.00000000 0.00000000 1 [/CIF]
PScTi3
Pm-3m
221
cubic
m-3m
3,707.190772
false
[CIF] data_SnSbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70467848 _cell_length_b 4.70467848 _cell_length_c 3.35961586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSbW2 _chemical_formula_sum 'Sn1 Sb1 W2' _cell_volume 74.36173610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35233924 2.35233924 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 2.35233924 1.67980793 1 W W3 1 2.35233924 0.00000000 1.67980793 1 [/CIF]
SbSnW2
P4/mmm
123
tetragonal
4/mmm
13,580.328893
false
[CIF] data_Ag2MoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93062575 _cell_length_b 2.93062575 _cell_length_c 8.81554923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2MoCl _chemical_formula_sum 'Ag2 Mo1 Cl1' _cell_volume 75.71293773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.60161137 1 Ag Ag1 1 1.46531287 1.46531287 1.86600635 1 Cl Cl2 1 0.00000000 0.00000000 5.03105669 1 Mo Mo3 1 1.46531287 1.46531287 6.54019867 1 [/CIF]
Ag2ClMo
P4mm
99
tetragonal
4mm
7,613.694012
false
[CIF] data_CeAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78407075 _cell_length_b 3.78407075 _cell_length_c 3.78407075 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeAlO3 _chemical_formula_sum 'Ce1 Al1 O3' _cell_volume 54.18483350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89203538 0.00000000 1 O O1 1 0.00000000 0.00000000 1.89203538 1 O O2 1 1.89203538 0.00000000 0.00000000 1 Al Al3 1 0.00000000 0.00000000 0.00000000 1 Ce Ce4 1 1.89203538 1.89203538 1.89203538 1 [/CIF]
AlCeO3
Pm-3m
221
cubic
m-3m
6,591.786926
false
[CIF] data_CdOsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91961530 _cell_length_b 4.91961530 _cell_length_c 4.91961530 _cell_angle_alpha 128.91131004 _cell_angle_beta 128.91131004 _cell_angle_gamma 75.15332154 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdOsAu2 _chemical_formula_sum 'Cd1 Os1 Au2' _cell_volume 70.18596859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12138504 1.94949133 1 Au Au1 1 2.12138504 -0.00000000 1.94949133 1 Cd Cd2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 3.89898265 1 [/CIF]
Au2CdOs
I4/mmm
139
tetragonal
4/mmm
16,480.339192
false
[CIF] data_Ba2InTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55358712 _cell_length_b 5.55358712 _cell_length_c 5.55358712 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2InTc _chemical_formula_sum 'Ba2 In1 Tc1' _cell_volume 121.11718507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.89046867 5.89046867 5.89046867 1 Ba Ba1 1 3.92697911 3.92697911 3.92697911 1 In In2 1 1.96348956 1.96348956 1.96348955 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2InTc
F-43m
216
cubic
-43m
6,695.755684
false
[CIF] data_K4PAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50933388 _cell_length_b 6.50933388 _cell_length_c 6.50933388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4PAu _chemical_formula_sum 'K4 P1 Au1' _cell_volume 195.02695827 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30139707 2.30139706 2.30139707 1 K K1 1 3.45323408 3.45323408 5.75235418 1 K K2 1 3.45323408 5.75235418 3.45323408 1 K K3 1 5.75235418 3.45323408 3.45323408 1 K K4 1 5.75235418 5.75235418 5.75235418 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuK4P
F-43m
216
cubic
-43m
3,272.372438
false
[CIF] data_NaAg2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07537157 _cell_length_b 4.45327483 _cell_length_c 6.26891507 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.34626435 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAg2Hg _chemical_formula_sum 'Na1 Ag2 Hg1' _cell_volume 85.48227764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05576650 2.22663741 0.15836149 1 Ag Ag1 1 1.59967103 0.00000000 1.39344751 1 Hg Hg2 1 2.57079904 2.22663741 3.12156224 1 Na Na3 1 1.04835143 0.00000000 4.68909475 1 [/CIF]
Ag2HgNa
Pm
6
monoclinic
m
8,533.952087
false
[CIF] data_GeBMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04789162 _cell_length_b 3.04789162 _cell_length_c 6.21553850 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBMo2 _chemical_formula_sum 'Ge1 B1 Mo2' _cell_volume 57.74013575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45331830 1 Ge Ge1 1 1.52394581 1.52394581 4.68964922 1 Mo Mo2 1 0.00000000 0.00000000 0.16130317 1 Mo Mo3 1 1.52394581 1.52394581 2.01903707 1 [/CIF]
BGeMo2
P4mm
99
tetragonal
4mm
7,919.350477
false
[CIF] data_KTcAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.80325175 _cell_length_b 10.80325175 _cell_length_c 10.80325175 _cell_angle_alpha 15.46682945 _cell_angle_beta 15.46682945 _cell_angle_gamma 15.46682945 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTcAg2 _chemical_formula_sum 'K1 Tc1 Ag2' _cell_volume 78.12779364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.69464346 1 Ag Ag1 1 -0.00000000 0.00000000 24.32148169 1 K K2 1 -0.00000000 -0.00000000 -0.00000000 1 Tc Tc3 1 -0.00000000 -0.00000000 16.00806258 1 [/CIF]
Ag2KTc
R-3m
166
trigonal
-3m
7,518.458623
false
[CIF] data_TaSbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56799134 _cell_length_b 5.56799134 _cell_length_c 5.40407207 _cell_angle_alpha 114.84342542 _cell_angle_beta 114.84342542 _cell_angle_gamma 31.54275328 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSbAu2 _chemical_formula_sum 'Ta1 Sb1 Au2' _cell_volume 78.85220584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.28377655 -0.00000000 0.34643209 1 Au Au1 1 7.45441794 -0.00000000 0.85306540 1 Sb Sb2 1 4.21625910 -0.00000000 2.94066311 1 Ta Ta3 1 1.29851029 -0.00000000 3.15264304 1 [/CIF]
Au2SbTa
Cm
8
monoclinic
m
14,670.478948
false
[CIF] data_Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80715461 _cell_length_b 2.80715461 _cell_length_c 4.49150632 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc _chemical_formula_sum Tc2 _cell_volume 30.65175267 _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 Tc Tc0 1 1.40357730 0.81035573 3.36862974 1 Tc Tc1 1 -0.00000000 1.62071147 1.12287658 1 [/CIF]
Tc2
P6_3/mmc
194
hexagonal
6/mmm
10,716.360074
false
[CIF] data_Ba2LaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26517691 _cell_length_b 7.26517691 _cell_length_c 7.26517691 _cell_angle_alpha 148.77902710 _cell_angle_beta 129.39067139 _cell_angle_gamma 60.67392512 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LaTc _chemical_formula_sum 'Ba2 La1 Tc1' _cell_volume 152.27142880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10536518 5.57031954 1 Ba Ba1 1 0.00000000 0.00000000 3.25724185 1 La La2 1 0.00000000 3.10536518 1.06409136 1 Tc Tc3 1 -0.00000000 -0.00000000 8.91941345 1 [/CIF]
Ba2LaTc
Imm2
44
orthorhombic
mm2
5,588.502532
false
[CIF] data_Y2ReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87468896 _cell_length_b 4.87468896 _cell_length_c 4.87468896 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2ReTc _chemical_formula_sum 'Y2 Re1 Tc1' _cell_volume 81.90788875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.44692562 3.44692562 3.44692562 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.17038843 5.17038843 5.17038843 1 Y Y3 1 1.72346281 1.72346281 1.72346281 1 [/CIF]
ReTcY2
Fm-3m
225
cubic
m-3m
9,384.992009
false
[CIF] data_SrInRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91812355 _cell_length_b 4.91812355 _cell_length_c 4.91812355 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrInRe _chemical_formula_sum 'Sr1 In1 Re1' _cell_volume 84.11690888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.73881925 1.73881925 1.73881925 1 Re Re1 1 3.47763851 3.47763851 3.47763851 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InReSr
F-43m
216
cubic
-43m
7,672.181659
false
[CIF] data_BaZrSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08513773 _cell_length_b 5.08513773 _cell_length_c 5.08513773 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrSnIr _chemical_formula_sum 'Ba1 Zr1 Sn1 Ir1' _cell_volume 92.98077506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79786768 1.79786768 1.79786768 1 Ir Ir1 1 5.39360305 5.39360305 5.39360306 1 Sn Sn2 1 3.59573537 3.59573537 3.59573537 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaIrSnZr
F-43m
216
cubic
-43m
9,634.510941
false
[CIF] data_K2SrLa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90230690 _cell_length_b 7.40679047 _cell_length_c 7.39275061 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.33551393 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SrLa _chemical_formula_sum 'K2 Sr1 La1' _cell_volume 213.06543790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.54187409 3.70339524 5.48729134 1 K K1 1 2.80156450 3.70339524 1.88430467 1 La La2 1 1.67171929 0.00000000 3.68579800 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2LaSr
P2/m
10
monoclinic
2/m
2,374.870869
false
[CIF] data_ZnTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06774121 _cell_length_b 3.06774121 _cell_length_c 6.13267024 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTc2Ge _chemical_formula_sum 'Zn1 Tc2 Ge1' _cell_volume 57.71478140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06633512 1 Tc Tc1 1 1.53387061 1.53387061 4.47937293 1 Tc Tc2 1 1.53387061 1.53387061 1.65329731 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeTc2Zn
P4/mmm
123
tetragonal
4/mmm
9,662.398677
false
[CIF] data_Al2CrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64069181 _cell_length_b 4.64069181 _cell_length_c 4.64069181 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CrHg _chemical_formula_sum 'Al2 Cr1 Hg1' _cell_volume 70.66968997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 1.64073233 1.64073233 1.64073233 1 Cr Cr2 1 3.28146465 3.28146465 3.28146465 1 Hg Hg3 1 4.92219698 4.92219698 4.92219698 1 [/CIF]
Al2CrHg
F-43m
216
cubic
-43m
7,203.043976
false
[CIF] data_TlBTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81354091 _cell_length_b 6.81354091 _cell_length_c 6.81354091 _cell_angle_alpha 151.18775616 _cell_angle_beta 151.18775616 _cell_angle_gamma 41.20065115 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBTe _chemical_formula_sum 'Tl1 B1 Te1' _cell_volume 73.30924860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.06167958 1 Te Te1 1 0.00000000 -0.00000000 5.17334057 1 Tl Tl2 1 0.00000000 -0.00000000 8.27644500 1 [/CIF]
BTeTl
I4mm
107
tetragonal
4mm
7,764.686418
false
[CIF] data_Na4CaY _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61529922 _cell_length_b 6.61529922 _cell_length_c 6.61529922 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4CaY _chemical_formula_sum 'Na4 Ca1 Y1' _cell_volume 204.70737110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 5.84348874 5.84348874 3.51195714 1 Na Na2 1 5.84348874 3.51195714 5.84348874 1 Na Na3 1 3.51195714 5.84348874 5.84348874 1 Na Na4 1 3.51195714 3.51195714 3.51195714 1 Y Y5 1 7.01658441 7.01658441 7.01658441 1 [/CIF]
CaNa4Y
F-43m
216
cubic
-43m
1,792.238159
false
[CIF] data_YTaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54113922 _cell_length_b 4.54113922 _cell_length_c 4.54113922 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaB _chemical_formula_sum 'Y1 Ta1 B1' _cell_volume 66.21851741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 3.21107034 3.21107034 3.21107034 1 Y Y2 1 1.60553517 1.60553517 1.60553517 1 [/CIF]
BTaY
F-43m
216
cubic
-43m
7,038.133244
false
[CIF] data_LiZn4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00664251 _cell_length_b 5.00664251 _cell_length_c 5.00664251 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZn4W _chemical_formula_sum 'Li1 Zn4 W1' _cell_volume 88.74108816 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 5.31034631 5.31034631 5.31034631 1 Zn Zn2 1 4.41928386 2.66117788 4.41928386 1 Zn Zn3 1 2.66117788 4.41928386 4.41928386 1 Zn Zn4 1 2.66117788 2.66117788 2.66117788 1 Zn Zn5 1 4.41928386 4.41928386 2.66117788 1 [/CIF]
LiWZn4
F-43m
216
cubic
-43m
8,463.53697
false
[CIF] data_Sc2AlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86236771 _cell_length_b 5.86236771 _cell_length_c 8.27340912 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.55075044 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2AlNi _chemical_formula_sum 'Sc4 Al2 Ni2' _cell_volume 144.09395610 _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 Al Al0 1 1.53948064 0.70344385 2.06835228 1 Al Al1 1 1.53948064 -0.70344385 6.20505684 1 Ni Ni2 1 1.53948064 -2.94398878 2.06835228 1 Ni Ni3 1 1.53948064 2.94398878 6.20505684 1 Sc Sc4 1 1.53948064 4.17105535 3.63763192 1 Sc Sc5 1 1.53948064 -4.17105535 7.77433648 1 Sc Sc6 1 1.53948064 4.17105535 0.49907264 1 Sc Sc7 1 1.53948064 -4.17105535 4.63577720 1 [/CIF]
Al2Ni2Sc4
Cmcm
63
orthorhombic
mmm
4,046.924476
false
[CIF] data_Ag2BiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96114451 _cell_length_b 3.96114451 _cell_length_c 6.30332197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2BiTe _chemical_formula_sum 'Ag2 Bi1 Te1' _cell_volume 98.90331864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98057226 1.98057226 1.54952976 1 Ag Ag1 1 1.98057226 1.98057226 4.75379221 1 Bi Bi2 1 0.00000000 0.00000000 3.15166098 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2BiTe
P4/mmm
123
tetragonal
4/mmm
9,273.132956
false
[CIF] data_NaLaAlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40207979 _cell_length_b 5.40207979 _cell_length_c 5.40207979 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaAlPb _chemical_formula_sum 'Na1 La1 Al1 Pb1' _cell_volume 111.47256260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.72977087 5.72977087 5.72977087 1 La La1 1 1.90992362 1.90992362 1.90992362 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.81984725 3.81984725 3.81984725 1 [/CIF]
AlLaNaPb
F-43m
216
cubic
-43m
5,900.115219
false
[CIF] data_VTcB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71497542 _cell_length_b 3.71497542 _cell_length_c 3.71497542 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTcB _chemical_formula_sum 'V1 Tc1 B1' _cell_volume 36.25374163 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 3.94032647 3.94032647 3.94032647 1 V V2 1 1.31344216 1.31344215 1.31344216 1 [/CIF]
BTcV
F-43m
216
cubic
-43m
7,358.690049
false
[CIF] data_Sr2ThOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43761721 _cell_length_b 5.43761721 _cell_length_c 5.43761721 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ThOs _chemical_formula_sum 'Sr2 Th1 Os1' _cell_volume 113.68702336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 5.76746400 5.76746400 5.76746400 1 Sr Sr2 1 1.92248800 1.92248800 1.92248800 1 Th Th3 1 3.84497600 3.84497600 3.84497600 1 [/CIF]
OsSr2Th
Fm-3m
225
cubic
m-3m
8,727.341493
false
[CIF] data_AlP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71957305 _cell_length_b 8.71957305 _cell_length_c 3.16146121 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 156.29323051 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlP2 _chemical_formula_sum 'Al2 P4' _cell_volume 96.64175373 _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 Al Al0 1 1.79107017 6.59328803 2.37109591 1 Al Al1 1 1.79107017 -6.59328803 0.79036530 1 P P2 1 1.79107017 0.90218638 2.37109591 1 P P3 1 1.79107017 -0.90218638 0.79036530 1 P P4 1 1.79107017 -4.52869537 2.37109591 1 P P5 1 1.79107017 4.52869537 0.79036530 1 [/CIF]
Al2P4
Cmcm
63
orthorhombic
mmm
3,056.032758
false
[CIF] data_SrZrTlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29657599 _cell_length_b 5.29657599 _cell_length_c 5.29657599 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrTlZn _chemical_formula_sum 'Sr1 Zr1 Tl1 Zn1' _cell_volume 105.06803855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.74524480 3.74524480 3.74524480 1 Tl Tl1 1 1.87262240 1.87262240 1.87262240 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 5.61786720 5.61786720 5.61786720 1 [/CIF]
SrTlZnZr
F-43m
216
cubic
-43m
7,089.976719
false
[CIF] data_NbZnGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28582994 _cell_length_b 5.28582994 _cell_length_c 5.28582994 _cell_angle_alpha 137.92510865 _cell_angle_beta 137.92510865 _cell_angle_gamma 61.01771749 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnGe2 _chemical_formula_sum 'Nb1 Zn1 Ge2' _cell_volume 65.58674584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.89749674 0.00000000 2.27700519 1 Ge Ge1 1 0.00000000 0.00000000 4.55401037 1 Nb Nb2 1 0.00000000 1.89749674 2.27700519 1 Zn Zn3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2NbZn
I-4m2
119
tetragonal
-42m
7,685.757646
false
[CIF] data_NaZrTcSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76772748 _cell_length_b 4.76772748 _cell_length_c 4.76772748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrTcSn _chemical_formula_sum 'Na1 Zr1 Tc1 Sn1' _cell_volume 76.63360777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 1.68564622 1.68564622 1.68564622 1 Tc Tc2 1 3.37129243 3.37129243 3.37129243 1 Zr Zr3 1 5.05693864 5.05693864 5.05693864 1 [/CIF]
NaSnTcZr
F-43m
216
cubic
-43m
7,190.273869
false
[CIF] data_KNaLaZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62829200 _cell_length_b 5.62829200 _cell_length_c 5.62829200 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaLaZn _chemical_formula_sum 'K1 Na1 La1 Zn1' _cell_volume 126.07090339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.97980344 3.97980344 3.97980344 1 La La1 1 1.98990172 1.98990172 1.98990172 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 5.96970516 5.96970516 5.96970516 1 [/CIF]
KLaNaZn
F-43m
216
cubic
-43m
3,508.530965
false
[CIF] data_CdSn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81050432 _cell_length_b 3.81050432 _cell_length_c 5.80092649 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSn2Mo _chemical_formula_sum 'Cd1 Sn2 Mo1' _cell_volume 84.22912298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90525216 1.90525216 2.86126900 1 Mo Mo1 1 0.00000000 0.00000000 4.46918372 1 Sn Sn2 1 1.90525216 1.90525216 5.61833682 1 Sn Sn3 1 0.00000000 0.00000000 1.55352675 1 [/CIF]
CdMoSn2
P4mm
99
tetragonal
4mm
8,788.567954
false
[CIF] data_KLi2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.65429407 _cell_length_b 11.65429407 _cell_length_c 11.65429407 _cell_angle_alpha 14.66901904 _cell_angle_beta 14.66901904 _cell_angle_gamma 14.66901904 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLi2V _chemical_formula_sum 'K1 Li2 V1' _cell_volume 88.38961154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 -0.00000000 0.00000000 -0.00000000 1 Li Li1 1 0.00000000 0.00000000 8.14414223 1 Li Li2 1 -0.00000000 0.00000000 26.43677980 1 V V3 1 0.00000000 -0.00000000 17.29046101 1 [/CIF]
KLi2V
R-3m
166
trigonal
-3m
1,952.335862
false
[CIF] data_SbAsO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97548800 _cell_length_b 3.97548800 _cell_length_c 3.97548800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAsO3 _chemical_formula_sum 'Sb1 As1 O3' _cell_volume 62.83061933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 0.00000000 0.00000000 1.98774400 1 O O2 1 0.00000000 1.98774400 0.00000000 1 O O3 1 1.98774400 0.00000000 0.00000000 1 Sb Sb4 1 1.98774400 1.98774400 1.98774400 1 [/CIF]
AsO3Sb
Pm-3m
221
cubic
m-3m
6,466.59815
false
[CIF] data_MgCu2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45712267 _cell_length_b 3.45712267 _cell_length_c 6.20827151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCu2Bi _chemical_formula_sum 'Mg1 Cu2 Bi1' _cell_volume 74.19938095 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 3.10413576 1 Cu Cu1 1 1.72856134 1.72856134 4.94000508 1 Cu Cu2 1 1.72856134 1.72856134 1.26826643 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCu2Mg
P4/mmm
123
tetragonal
4/mmm
8,065.655519
false
[CIF] data_LaInPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.78320737 _cell_length_b 10.78320737 _cell_length_c 10.78320737 _cell_angle_alpha 19.67600199 _cell_angle_beta 19.67600199 _cell_angle_gamma 19.67600199 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaInPb2 _chemical_formula_sum 'La1 In1 Pb2' _cell_volume 124.31089521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 1 La La1 1 0.00000000 -0.00000000 15.85687960 1 Pb Pb2 1 0.00000000 -0.00000000 8.10759526 1 Pb Pb3 1 -0.00000000 0.00000000 23.60616393 1 [/CIF]
InLaPb2
R-3m
166
trigonal
-3m
8,924.761749
false
[CIF] data_V2OsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31490417 _cell_length_b 4.31490417 _cell_length_c 4.31490417 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2OsW _chemical_formula_sum 'V2 Os1 W1' _cell_volume 56.80655694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 1.52554900 1.52554900 1.52554900 1 V V1 1 4.57664700 4.57664700 4.57664700 1 Os Os2 1 3.05109800 3.05109800 3.05109800 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsV2W
Fm-3m
225
cubic
m-3m
13,912.805018
false
[CIF] data_SrGaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63875973 _cell_length_b 4.63875973 _cell_length_c 4.63875973 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGaRu _chemical_formula_sum 'Sr1 Ga1 Ru1' _cell_volume 70.58145982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.92014769 4.92014769 4.92014769 1 Sr Sr2 1 3.28009846 3.28009846 3.28009846 1 [/CIF]
GaRuSr
F-43m
216
cubic
-43m
6,079.569378
false
[CIF] data_Mg2ZrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68622157 _cell_length_b 4.68622157 _cell_length_c 4.68622157 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ZrPt _chemical_formula_sum 'Mg2 Zr1 Pt1' _cell_volume 72.77018150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97048858 4.97048858 4.97048858 1 Mg Mg1 1 1.65682952 1.65682952 1.65682953 1 Pt Pt2 1 3.31365905 3.31365905 3.31365905 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2PtZr
Fm-3m
225
cubic
m-3m
7,642.47679
false
[CIF] data_NaAlCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52251153 _cell_length_b 3.52251153 _cell_length_c 6.43592403 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlCl _chemical_formula_sum 'Na1 Al1 Cl1' _cell_volume 69.15863083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.03372299 0.11492694 1 Cl Cl1 1 1.76125575 1.01686150 2.25384798 1 Na Na2 1 0.00000000 0.00000000 4.06714911 1 [/CIF]
AlClNa
P3m1
156
trigonal
3m
2,051.087463
false
[CIF] data_K2TiNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20421606 _cell_length_b 3.20421606 _cell_length_c 12.43507753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.87034982 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TiNb _chemical_formula_sum 'K2 Ti1 Nb1' _cell_volume 123.94814864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97556789 0.00000000 0.53198381 1 K K1 1 0.00000000 0.00000000 8.73016680 1 Nb Nb2 1 1.97556789 0.00000000 5.55072129 1 Ti Ti3 1 0.00000000 0.00000000 3.83974440 1 [/CIF]
K2NbTi
Cmm2
35
orthorhombic
mm2
2,933.550926
false
[CIF] data_VTcSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64063995 _cell_length_b 4.64063995 _cell_length_c 3.26135076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTcSb2 _chemical_formula_sum 'V1 Tc1 Sb2' _cell_volume 70.23494696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32031997 1.63067538 1 Sb Sb1 1 2.32031997 0.00000000 1.63067538 1 Tc Tc2 1 2.32031997 2.32031997 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sb2TcV
P4/mmm
123
tetragonal
4/mmm
9,300.24812
false
[CIF] data_Bi3Se4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79074552 _cell_length_b 6.79074552 _cell_length_c 4.93568186 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi3Se4 _chemical_formula_sum 'Bi3 Se4' _cell_volume 197.11183535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.69768638 2.94047907 2.46784093 1 Bi Bi1 1 3.39537276 0.00000000 2.46784093 1 Bi Bi2 1 -1.69768638 2.94047907 2.46784093 1 Se Se3 1 0.00000000 0.00000000 3.81651407 1 Se Se4 1 0.00000000 0.00000000 1.11916779 1 Se Se5 1 0.00000000 3.92063875 0.00000000 1 Se Se6 1 3.39537276 1.96031938 0.00000000 1 [/CIF]
Bi3Se4
P6/mmm
191
hexagonal
6/mmm
7,942.31869
false
[CIF] data_TiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34190820 _cell_length_b 5.34190820 _cell_length_c 6.81865672 _cell_angle_alpha 108.36827570 _cell_angle_beta 108.36827570 _cell_angle_gamma 31.19908761 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPt2 _chemical_formula_sum 'Ti2 Pt4' _cell_volume 95.24622632 _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 Pt Pt0 1 8.30119399 -0.00000000 4.35269206 1 Pt Pt1 1 1.53097038 0.00000000 6.18476778 1 Pt Pt2 1 6.52840918 -0.00000000 0.25861530 1 Pt Pt3 1 -0.24181443 0.00000000 2.09069101 1 Ti Ti4 1 2.55458484 -0.00000000 2.19183660 1 Ti Ti5 1 5.50479473 -0.00000000 4.25154647 1 [/CIF]
Pt4Ti2
C2/m
12
monoclinic
2/m
15,273.554831
false
[CIF] data_TmCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28011700 _cell_length_b 3.28011700 _cell_length_c 3.28011700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmCo _chemical_formula_sum 'Tm1 Co1' _cell_volume 35.29132833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tm Tm1 1 1.64005850 1.64005850 1.64005850 1 [/CIF]
CoTm
Pm-3m
221
cubic
m-3m
10,721.691301
false
[CIF] data_CrGaReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59608969 _cell_length_b 4.59608969 _cell_length_c 4.59608969 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaReBi _chemical_formula_sum 'Cr1 Ga1 Re1 Bi1' _cell_volume 68.65157240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.62496310 1.62496309 1.62496310 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 3.24992619 3.24992619 3.24992619 1 Re Re3 1 4.87488929 4.87488929 4.87488929 1 [/CIF]
BiCrGaRe
F-43m
216
cubic
-43m
12,502.895521
false
[CIF] data_TlV2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49707742 _cell_length_b 4.49707742 _cell_length_c 4.49707742 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlV2Si _chemical_formula_sum 'Tl1 V2 Si1' _cell_volume 64.30964250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 1.58995697 1.58995697 1.58995697 1 V V2 1 3.17991394 3.17991394 3.17991394 1 V V3 1 4.76987091 4.76987091 4.76987091 1 [/CIF]
SiTlV2
F-43m
216
cubic
-43m
8,633.296723
false
[CIF] data_BaMn4Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16999651 _cell_length_b 5.16999651 _cell_length_c 5.16999651 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn4Nb _chemical_formula_sum 'Ba1 Mn4 Nb1' _cell_volume 97.71376595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82786980 1.82786980 1.82786980 1 Mn Mn1 1 2.72060316 2.72060316 4.59087602 1 Mn Mn2 1 2.72060316 4.59087602 2.72060316 1 Mn Mn3 1 4.59087602 2.72060316 2.72060316 1 Mn Mn4 1 4.59087602 4.59087602 4.59087602 1 Nb Nb5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaMn4Nb
F-43m
216
cubic
-43m
7,647.014671
false
[CIF] data_LiBeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79526607 _cell_length_b 2.79526607 _cell_length_c 6.14796416 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeIr2 _chemical_formula_sum 'Li1 Be1 Ir2' _cell_volume 48.03719421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.39763303 1.39763303 4.59005977 1 Ir Ir1 1 0.00000000 0.00000000 5.90442824 1 Ir Ir2 1 1.39763303 1.39763303 1.63790434 1 Li Li3 1 0.00000000 0.00000000 3.23751805 1 [/CIF]
BeIr2Li
P4mm
99
tetragonal
4mm
13,840.495233
false
[CIF] data_NaLiPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43274281 _cell_length_b 4.43274281 _cell_length_c 4.43274281 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiPtW _chemical_formula_sum 'Na1 Li1 Pt1 W1' _cell_volume 61.58892222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 4.70163375 4.70163375 4.70163375 1 Pt Pt2 1 1.56721125 1.56721125 1.56721125 1 W W3 1 3.13442250 3.13442250 3.13442250 1 [/CIF]
LiNaPtW
F-43m
216
cubic
-43m
11,023.399866
false
[CIF] data_SrCdInMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25331101 _cell_length_b 5.25331101 _cell_length_c 5.25331101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCdInMo _chemical_formula_sum 'Sr1 Cd1 In1 Mo1' _cell_volume 102.51427424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.57197776 5.57197776 5.57197776 1 In In1 1 3.71465184 3.71465184 3.71465184 1 Mo Mo2 1 1.85732592 1.85732592 1.85732592 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdInMoSr
F-43m
216
cubic
-43m
6,654.335686
false
[CIF] data_Ti2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84582883 _cell_length_b 4.84582883 _cell_length_c 4.84582883 _cell_angle_alpha 141.14859722 _cell_angle_beta 141.14859722 _cell_angle_gamma 56.11339896 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2S _chemical_formula_sum 'Ti2 S1' _cell_volume 44.42971967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 0.00000000 -0.00000000 5.59835157 1 Ti Ti2 1 0.00000000 -0.00000000 2.95436743 1 [/CIF]
STi2
I4/mmm
139
tetragonal
4/mmm
4,776.425189
false
[CIF] data_Mg2CdSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88185013 _cell_length_b 4.88185013 _cell_length_c 4.88185013 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CdSi _chemical_formula_sum 'Mg2 Cd1 Si1' _cell_volume 82.26939994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17798400 5.17798400 5.17798400 1 Mg Mg1 1 1.72599467 1.72599466 1.72599467 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 3.45198933 3.45198933 3.45198933 1 [/CIF]
CdMg2Si
F-43m
216
cubic
-43m
3,816.956623
false
[CIF] data_MgTlVRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57385148 _cell_length_b 4.57385148 _cell_length_c 4.57385148 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlVRh _chemical_formula_sum 'Mg1 Tl1 V1 Rh1' _cell_volume 67.65987296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23420140 3.23420140 3.23420140 1 Tl Tl2 1 1.61710070 1.61710070 1.61710070 1 V V3 1 4.85130210 4.85130210 4.85130210 1 [/CIF]
MgRhTlV
F-43m
216
cubic
-43m
9,388.353573
false
[CIF] data_CeCu2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72540830 _cell_length_b 4.72540830 _cell_length_c 4.72540830 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeCu2Ge _chemical_formula_sum 'Ce1 Cu2 Ge1' _cell_volume 74.61102762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 3.34136825 3.34136825 3.34136825 1 Cu Cu1 1 5.01205238 5.01205238 5.01205238 1 Cu Cu2 1 1.67068413 1.67068413 1.67068413 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CeCu2Ge
Fm-3m
225
cubic
m-3m
7,563.639032
false
[CIF] data_Tl2CoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28859239 _cell_length_b 3.28859239 _cell_length_c 6.49117992 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CoRh _chemical_formula_sum 'Tl2 Co1 Rh1' _cell_volume 70.20107143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 3.24558996 1 Tl Tl2 1 1.64429619 1.64429619 4.92245050 1 Tl Tl3 1 1.64429619 1.64429619 1.56872942 1 [/CIF]
CoRhTl2
P4/mmm
123
tetragonal
4/mmm
13,497.87007
false
[CIF] data_Hf3VAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84901221 _cell_length_b 4.84901221 _cell_length_c 4.84901221 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3VAg _chemical_formula_sum 'Hf3 V1 Ag1' _cell_volume 114.01443333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 2.42450610 0.00000000 1 Hf Hf1 1 0.00000000 0.00000000 2.42450610 1 Hf Hf2 1 2.42450610 0.00000000 0.00000000 1 Ag Ag3 1 2.42450610 2.42450610 2.42450610 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHf3V
Pm-3m
221
cubic
m-3m
10,111.689646
false
[CIF] data_Tl2CdOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09719382 _cell_length_b 5.09719382 _cell_length_c 3.25031708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CdOs _chemical_formula_sum 'Tl2 Cd1 Os1' _cell_volume 84.44773890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 2.54859691 2.54859691 0.00000000 1 Tl Tl2 1 2.54859691 0.00000000 1.62515854 1 Tl Tl3 1 0.00000000 2.54859691 1.62515854 1 [/CIF]
CdOsTl2
P4/mmm
123
tetragonal
4/mmm
13,988.771368
false
[CIF] data_Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97928506 _cell_length_b 2.97928506 _cell_length_c 2.97928506 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb _chemical_formula_sum Nb1 _cell_volume 18.69912045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Nb
Fm-3m
225
cubic
m-3m
8,250.370595
false
[CIF] data_SrLiCa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13070939 _cell_length_b 6.13070939 _cell_length_c 6.13070939 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiCa2 _chemical_formula_sum 'Sr1 Li1 Ca2' _cell_volume 162.93605288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.16753309 2.16753309 2.16753309 1 Ca Ca1 1 6.50259927 6.50259927 6.50259927 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 4.33506618 4.33506618 4.33506618 1 [/CIF]
Ca2LiSr
Fm-3m
225
cubic
m-3m
1,780.602874
false
[CIF] data_HfBe2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03727104 _cell_length_b 7.03727104 _cell_length_c 7.03727104 _cell_angle_alpha 26.50155239 _cell_angle_beta 26.50155239 _cell_angle_gamma 26.50155239 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBe2Nb _chemical_formula_sum 'Hf1 Be2 Nb1' _cell_volume 61.16648329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.18600214 1 Be Be1 1 0.00000000 0.00000000 5.17292593 1 Hf Hf2 1 -0.00000000 -0.00000000 10.17946403 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2HfNb
R-3m
166
trigonal
-3m
7,857.153558
false
[CIF] data_TaGa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05044587 _cell_length_b 5.05044587 _cell_length_c 3.01321245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGa2Br _chemical_formula_sum 'Ta1 Ga2 Br1' _cell_volume 76.85802047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.00000000 2.52522293 1.50660623 1 Ga Ga2 1 2.52522293 0.00000000 1.50660623 1 Ta Ta3 1 2.52522293 2.52522293 0.00000000 1 [/CIF]
BrGa2Ta
P4/mmm
123
tetragonal
4/mmm
8,648.547855
false
[CIF] data_AlTcPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72049629 _cell_length_b 4.72049629 _cell_length_c 2.74223535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTcPt2 _chemical_formula_sum 'Al1 Tc1 Pt2' _cell_volume 61.10546401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 2.36024814 1.37111768 1 Pt Pt2 1 2.36024814 0.00000000 1.37111768 1 Tc Tc3 1 2.36024814 2.36024814 0.00000000 1 [/CIF]
AlPt2Tc
P4/mmm
123
tetragonal
4/mmm
14,023.7985
false
[CIF] data_KHfMnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75310356 _cell_length_b 4.75310356 _cell_length_c 4.75310356 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfMnFe _chemical_formula_sum 'K1 Hf1 Mn1 Fe1' _cell_volume 75.93060020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04142764 5.04142764 5.04142764 1 Hf Hf1 1 1.68047588 1.68047588 1.68047588 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 3.36095176 3.36095176 3.36095176 1 [/CIF]
FeHfKMn
F-43m
216
cubic
-43m
7,181.208173
false
[CIF] data_TiBePtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38088081 _cell_length_b 4.38088081 _cell_length_c 4.38088081 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBePtAu _chemical_formula_sum 'Ti1 Be1 Pt1 Au1' _cell_volume 59.45238966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54887527 1.54887527 1.54887527 1 Be Be1 1 0.00000000 -0.00000000 0.00000000 1 Pt Pt2 1 4.64662580 4.64662580 4.64662580 1 Ti Ti3 1 3.09775053 3.09775053 3.09775053 1 [/CIF]
AuBePtTi
F-43m
216
cubic
-43m
12,538.86335
false
[CIF] data_SrZr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68929929 _cell_length_b 3.68929929 _cell_length_c 7.68888806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZr2W _chemical_formula_sum 'Sr1 Zr2 W1' _cell_volume 104.65291141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.04299265 1 W W1 1 1.84464965 1.84464965 6.34670015 1 Zr Zr2 1 0.00000000 0.00000000 7.45821042 1 Zr Zr3 1 1.84464965 1.84464965 1.37431685 1 [/CIF]
SrWZr2
P4mm
99
tetragonal
4mm
7,202.20734
false
[CIF] data_CaCuB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50794230 _cell_length_b 4.50794230 _cell_length_c 4.50794230 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuB4 _chemical_formula_sum 'Ca1 Cu1 B4' _cell_volume 64.77688327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21322892 2.21322892 4.16196422 1 B B1 1 2.21322892 4.16196422 2.21322892 1 B B2 1 4.16196422 2.21322892 2.21322892 1 B B3 1 4.16196422 4.16196422 4.16196422 1 Ca Ca4 1 0.00000000 0.00000000 0.00000000 1 Cu Cu5 1 1.59379829 1.59379829 1.59379829 1 [/CIF]
B4CaCu
F-43m
216
cubic
-43m
3,764.924141
false
[CIF] data_SrY2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.10848491 _cell_length_b 10.10848491 _cell_length_c 10.10848491 _cell_angle_alpha 23.27254623 _cell_angle_beta 23.27254623 _cell_angle_gamma 23.27254623 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrY2Rh _chemical_formula_sum 'Sr1 Y2 Rh1' _cell_volume 141.56046792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 0.00000000 0.00000000 14.74575979 1 Sr Sr1 1 -0.00000000 -0.00000000 -0.00000000 1 Y Y2 1 -0.00000000 -0.00000000 6.37225888 1 Y Y3 1 -0.00000000 -0.00000000 23.11926070 1 [/CIF]
RhSrY2
R-3m
166
trigonal
-3m
4,320.685851
false
[CIF] data_Zr2BRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21739466 _cell_length_b 3.21739466 _cell_length_c 6.18430303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.68366546 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BRu _chemical_formula_sum 'Zr2 B1 Ru1' _cell_volume 63.88534490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 3.09215151 1 Zr Zr2 1 2.20074521 0.00000000 4.75364090 1 Zr Zr3 1 2.20074521 0.00000000 1.43066213 1 [/CIF]
BRuZr2
Cmmm
65
orthorhombic
mmm
7,650.343028
false
[CIF] data_NbV3Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54455085 _cell_length_b 4.54455085 _cell_length_c 4.54455085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbV3Re _chemical_formula_sum 'Nb1 V3 Re1' _cell_volume 93.85834707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.27227543 2.27227543 2.27227543 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 2.27227543 0.00000000 2.27227543 1 V V3 1 2.27227543 2.27227543 0.00000000 1 V V4 1 0.00000000 2.27227543 2.27227543 1 [/CIF]
NbReV3
Pm-3m
221
cubic
m-3m
7,641.832043
false
[CIF] data_WBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28532407 _cell_length_b 5.28532407 _cell_length_c 3.32769894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.38995598 _symmetry_Int_Tables_number 1 _chemical_formula_structural WBr3 _chemical_formula_sum 'W1 Br3' _cell_volume 89.62480982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60160679 -2.10202719 1.66384947 1 Br Br1 1 1.60160679 2.10202719 1.66384947 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.20321358 0.00000000 0.00000000 1 [/CIF]
Br3W
Cmmm
65
orthorhombic
mmm
7,847.432471
false
[CIF] data_Sc2InSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24785796 _cell_length_b 3.24785796 _cell_length_c 9.60269202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2InSb _chemical_formula_sum 'Sc2 In1 Sb1' _cell_volume 101.29477787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.49102964 1 Sb Sb1 1 1.62392898 1.62392898 7.48336858 1 Sc Sc2 1 0.00000000 0.00000000 0.04256979 1 Sc Sc3 1 1.62392898 1.62392898 2.38707002 1 [/CIF]
InSbSc2
P4mm
99
tetragonal
4mm
5,352.600449
false
[CIF] data_TlV2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61498427 _cell_length_b 4.61498427 _cell_length_c 3.16046680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlV2Se _chemical_formula_sum 'Tl1 V2 Se1' _cell_volume 67.31187418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 2.30749214 2.30749214 0.00000000 1 V V2 1 2.30749214 0.00000000 1.58023340 1 V V3 1 0.00000000 2.30749214 1.58023340 1 [/CIF]
SeTlV2
P4/mmm
123
tetragonal
4/mmm
9,503.341536
false
[CIF] data_SiNi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21382525 _cell_length_b 4.21382525 _cell_length_c 4.21382525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNi2Cl _chemical_formula_sum 'Si1 Ni2 Cl1' _cell_volume 52.90717419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97962441 2.97962441 2.97962441 1 Ni Ni1 1 1.48981221 1.48981221 1.48981221 1 Ni Ni2 1 4.46943662 4.46943662 4.46943662 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClNi2Si
Fm-3m
225
cubic
m-3m
5,678.502649
false
[CIF] data_Ba2CdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93212351 _cell_length_b 5.93212351 _cell_length_c 4.16448770 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CdGa _chemical_formula_sum 'Ba2 Cd1 Ga1' _cell_volume 146.54869414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.96606175 2.08224385 1 Ba Ba1 1 2.96606175 0.00000000 2.08224385 1 Cd Cd2 1 2.96606175 2.96606175 0.00000000 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2CdGa
P4/mmm
123
tetragonal
4/mmm
5,175.866503
false
[CIF] data_Cd2RuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.69581719 _cell_length_b 9.69581719 _cell_length_c 9.69581719 _cell_angle_alpha 17.53367036 _cell_angle_beta 17.53367036 _cell_angle_gamma 17.53367036 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2RuAu _chemical_formula_sum 'Cd2 Ru1 Au1' _cell_volume 72.20383657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.31672071 1 Cd Cd1 1 0.00000000 -0.00000000 21.36894606 1 Cd Cd2 1 -0.00000000 0.00000000 7.26449536 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCd2Ru
R-3m
166
trigonal
-3m
12,024.666864
false
[CIF] data_Sc4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35736686 _cell_length_b 5.35736686 _cell_length_c 5.35736686 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4P _chemical_formula_sum 'Sc4 P1' _cell_volume 118.36744419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 1.54653860 -1.54653860 1.54653860 1 Sc Sc2 1 1.54653860 1.54653860 1.54653860 1 Sc Sc3 1 1.54653860 1.54653860 -1.54653860 1 Sc Sc4 1 -1.54653860 1.54653860 1.54653860 1 [/CIF]
PSc4
Im-3m
229
cubic
m-3m
2,957.209534
false
[CIF] data_GaFeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63632350 _cell_length_b 4.63632350 _cell_length_c 4.63632350 _cell_angle_alpha 131.98232664 _cell_angle_beta 131.98232664 _cell_angle_gamma 70.25694146 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFeOs2 _chemical_formula_sum 'Ga1 Fe1 Os2' _cell_volume 53.97462579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.00000000 0.00000000 3.79188158 1 Os Os2 1 0.00000000 1.88641587 1.89594079 1 Os Os3 1 1.88641587 -0.00000000 1.89594079 1 [/CIF]
FeGaOs2
I4/mmm
139
tetragonal
4/mmm
15,568.042399
false
[CIF] data_Na4PdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66774576 _cell_length_b 5.66774576 _cell_length_c 5.66774576 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4PdW _chemical_formula_sum 'Na4 Pd1 W1' _cell_volume 128.74076457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00549283 3.00549283 5.00991009 1 Na Na1 1 3.00549283 5.00991009 3.00549283 1 Na Na2 1 5.00991009 3.00549283 3.00549283 1 Na Na3 1 5.00991009 5.00991009 5.00991009 1 Pd Pd4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 2.00385073 2.00385073 2.00385073 1 [/CIF]
Na4PdW
F-43m
216
cubic
-43m
4,929.982447
false
[CIF] data_KLaMnCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37648266 _cell_length_b 5.37648266 _cell_length_c 5.37648266 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaMnCd _chemical_formula_sum 'K1 La1 Mn1 Cd1' _cell_volume 109.89546003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.80174735 3.80174735 3.80174735 1 K K1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.70262103 5.70262103 5.70262103 1 Mn Mn3 1 1.90087367 1.90087367 1.90087367 1 [/CIF]
CdKLaMn
F-43m
216
cubic
-43m
5,218.339692
false
[CIF] data_CaLa2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69881970 _cell_length_b 3.69881970 _cell_length_c 10.65590688 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLa2Sn _chemical_formula_sum 'Ca1 La2 Sn1' _cell_volume 145.78630900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.84940985 1.84940985 3.21305024 1 La La2 1 1.84940985 1.84940985 7.44285664 1 Sn Sn3 1 0.00000000 0.00000000 5.32795344 1 [/CIF]
CaLa2Sn
P4/mmm
123
tetragonal
4/mmm
4,972.960776
false
[CIF] data_Ag2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31509303 _cell_length_b 4.31509303 _cell_length_c 3.90820461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2Se _chemical_formula_sum 'Ag2 Se1' _cell_volume 63.02142960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15754651 1.24566006 2.73925025 1 Ag Ag1 1 0.00000000 2.49132012 1.16895436 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Se
P-3m1
164
trigonal
-3m
7,764.896596
false
[CIF] data_ReRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71022185 _cell_length_b 4.03356763 _cell_length_c 5.69385181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReRhW2 _chemical_formula_sum 'Re1 Rh1 W2' _cell_volume 62.24440864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35511093 2.01678382 2.88232538 1 Rh Rh1 1 0.00000000 0.00000000 4.27304487 1 W W2 1 1.35511093 2.01678382 5.61360454 1 W W3 1 0.00000000 0.00000000 1.46565479 1 [/CIF]
ReRhW2
Pmm2
25
orthorhombic
mm2
17,521.728116
false
[CIF] data_Re2SnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08561400 _cell_length_b 4.85851866 _cell_length_c 4.78211332 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.44871883 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2SnAu _chemical_formula_sum 'Re2 Sn1 Au1' _cell_volume 71.68891653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52408134 0.00000000 2.39098334 1 Re Re1 1 2.48438109 2.42925933 3.47874141 1 Re Re2 1 0.56378159 2.42925933 1.30322526 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRe2Sn
P2/m
10
monoclinic
2/m
15,938.325288
false
[CIF] data_YScPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70821161 _cell_length_b 4.70821161 _cell_length_c 4.70821161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScPd _chemical_formula_sum 'Y1 Sc1 Pd1' _cell_volume 73.79941602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32920836 3.32920836 3.32920836 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 4.99381254 4.99381254 4.99381254 1 [/CIF]
PdScY
F-43m
216
cubic
-43m
5,406.509622
false
[CIF] data_LiRhSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51192793 _cell_length_b 4.51192793 _cell_length_c 4.51192793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRhSe2 _chemical_formula_sum 'Li1 Rh1 Se2' _cell_volume 64.94884968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 3.19041483 3.19041483 3.19041483 1 Se Se2 1 4.78562225 4.78562225 4.78562225 1 Se Se3 1 1.59520742 1.59520742 1.59520742 1 [/CIF]
LiRhSe2
Fm-3m
225
cubic
m-3m
6,845.972935
false
[CIF] data_SnGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71292757 _cell_length_b 3.71292757 _cell_length_c 5.96732517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGeP2 _chemical_formula_sum 'Sn1 Ge1 P2' _cell_volume 82.26453715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43643433 1 P P1 1 1.85646378 1.85646378 5.09252109 1 P P2 1 0.00000000 0.00000000 1.89691976 1 Sn Sn3 1 1.85646378 1.85646378 2.49243775 1 [/CIF]
GeP2Sn
P4mm
99
tetragonal
4mm
5,112.9042
false
[CIF] data_Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52144786 _cell_length_b 3.52144786 _cell_length_c 3.52144786 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb _chemical_formula_sum Pb1 _cell_volume 30.87797340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb
Fm-3m
225
cubic
m-3m
11,142.690297
false
[CIF] data_Si2NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70865894 _cell_length_b 4.70865894 _cell_length_c 4.70865894 _cell_angle_alpha 136.54134461 _cell_angle_beta 136.54134461 _cell_angle_gamma 63.14450913 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiRu _chemical_formula_sum 'Si2 Ni1 Ru1' _cell_volume 48.76480991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.01168595 1 Ru Ru1 1 0.00000000 1.74325054 2.00584298 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 1.74325054 0.00000000 2.00584298 1 [/CIF]
NiRuSi2
I-4m2
119
tetragonal
-42m
7,352.997125
false
[CIF] data_BaZn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04937231 _cell_length_b 5.04937231 _cell_length_c 5.04937231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZn2Ni _chemical_formula_sum 'Ba1 Zn2 Ni1' _cell_volume 91.03264972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57044540 3.57044540 3.57044540 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 5.35566810 5.35566810 5.35566810 1 Zn Zn3 1 1.78522270 1.78522270 1.78522270 1 [/CIF]
BaNiZn2
Fm-3m
225
cubic
m-3m
5,960.846159
false
[CIF] data_BeInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49130369 _cell_length_b 6.49130369 _cell_length_c 6.49130369 _cell_angle_alpha 152.14822458 _cell_angle_beta 152.14822458 _cell_angle_gamma 39.79688474 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeInHg _chemical_formula_sum 'Be1 In1 Hg1' _cell_volume 59.58716051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.03985410 1 Hg Hg1 1 0.00000000 0.00000000 4.50043408 1 In In2 1 0.00000000 0.00000000 7.87473522 1 [/CIF]
BeHgIn
I4mm
107
tetragonal
4mm
9,040.746054
false