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_CuPSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82785592 _cell_length_b 4.82785592 _cell_length_c 6.79516345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 139.72684113 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPSe _chemical_formula_sum 'Cu2 P2 Se2' _cell_volume 102.38389338 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.66203368 -1.02980054 1.69879086 1 Cu Cu1 1 1.66203368 1.02980054 5.09637259 1 P P2 1 0.00000000 0.00000000 3.39758173 1 P P3 1 0.00000000 0.00000000 0.00000000 1 Se Se4 1 1.66203368 -1.45142513 5.09637259 1 Se Se5 1 1.66203368 1.45142513 1.69879086 1 [/CIF]
Cu2P2Se2
Cmcm
63
orthorhombic
mmm
5,627.250783
false
[CIF] data_Co3CF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97917894 _cell_length_b 3.97917894 _cell_length_c 3.97917894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3CF _chemical_formula_sum 'Co3 C1 F1' _cell_volume 63.00578229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 1.98958947 0.00000000 1.98958947 1 Co Co2 1 1.98958947 1.98958947 0.00000000 1 Co Co3 1 0.00000000 1.98958947 1.98958947 1 F F4 1 1.98958947 1.98958947 1.98958947 1 [/CIF]
CCo3F
Pm-3m
221
cubic
m-3m
5,476.869465
false
[CIF] data_TlOsWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60474420 _cell_length_b 4.60474420 _cell_length_c 4.60474420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlOsWAu _chemical_formula_sum 'Tl1 Os1 W1 Au1' _cell_volume 69.04011896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62802293 1.62802293 1.62802293 1 Os Os1 1 3.25604585 3.25604585 3.25604585 1 Tl Tl2 1 4.88406878 4.88406878 4.88406878 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuOsTlW
F-43m
216
cubic
-43m
18,650.242858
false
[CIF] data_LiV6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69728700 _cell_length_b 5.71771321 _cell_length_c 7.50424642 _cell_angle_alpha 71.13827720 _cell_angle_beta 71.66211694 _cell_angle_gamma 72.40799293 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV6O7F5 _chemical_formula_sum 'Li1 V6 O7 F5' _cell_volume 214.03861519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.45595001 3.41412830 3.90457215 1 V V1 1 6.85560010 5.28844188 5.83951566 1 V V2 1 4.41304246 2.96531733 4.75055290 1 V V3 1 5.59710686 4.28566936 2.22839541 1 V V4 1 1.17824098 0.94594516 3.32044619 1 V V5 1 2.65511827 2.04464815 1.08464090 1 V V6 1 4.12262735 7.10932815 6.87401064 1 O O7 1 3.94584036 2.92786243 6.65862096 1 O O8 1 5.85055359 4.25256800 4.36367449 1 O O9 1 5.39199815 1.37191184 4.59077523 1 O O10 1 4.48609162 5.89545129 2.29571158 1 O O11 1 6.82099029 2.62013126 2.33653829 1 O O12 1 5.77461263 4.27072408 0.24482931 1 O O13 1 2.89522519 3.74464840 0.03860719 1 F F14 1 2.94437719 4.64539630 4.57235048 1 F F15 1 2.45694256 1.86940430 4.75631538 1 F F16 1 7.35535542 5.40081406 2.04599520 1 F F17 1 3.97104827 3.04464461 2.61034540 1 F F18 1 4.48431954 1.61481435 0.02110609 1 [/CIF]
F5LiO7V6
P1
1
triclinic
1
4,030.951428
false
[CIF] data_HfBeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35419234 _cell_length_b 4.21214633 _cell_length_c 4.29405453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeRe2 _chemical_formula_sum 'Hf1 Be1 Re2' _cell_volume 60.66790083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 1.67709617 2.10607316 0.00000000 1 Re Re2 1 1.67709617 0.00000000 2.14702726 1 Re Re3 1 0.00000000 2.10607316 2.14702726 1 [/CIF]
BeHfRe2
Pmmm
47
orthorhombic
mmm
15,325.446925
false
[CIF] data_AlV2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26463029 _cell_length_b 4.26463029 _cell_length_c 4.26463029 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlV2Si _chemical_formula_sum 'Al1 V2 Si1' _cell_volume 54.84400540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 3.01554900 3.01554900 3.01554900 1 V V2 1 4.52332350 4.52332350 4.52332350 1 V V3 1 1.50777450 1.50777450 1.50777450 1 [/CIF]
AlSiV2
Fm-3m
225
cubic
m-3m
4,752.053915
false
[CIF] data_La3BiO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07962470 _cell_length_b 5.07962470 _cell_length_c 5.07962470 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3BiO _chemical_formula_sum 'La3 Bi1 O1' _cell_volume 131.06745872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.53981235 2.53981235 2.53981235 1 O O1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 0.00000000 2.53981235 0.00000000 1 La La3 1 0.00000000 0.00000000 2.53981235 1 La La4 1 2.53981235 0.00000000 0.00000000 1 [/CIF]
BiLa3O
Pm-3m
221
cubic
m-3m
8,129.871716
false
[CIF] data_Ti2AsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92747926 _cell_length_b 4.36154069 _cell_length_c 5.10662093 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.69854126 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2AsW _chemical_formula_sum 'Ti2 As1 W1' _cell_volume 65.13066435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 2.22161843 2.18077034 1.31557616 1 Ti Ti2 1 0.46543590 2.18077034 3.78538191 1 W W3 1 1.34352717 0.00000000 2.55047903 1 [/CIF]
AsTi2W
P2/m
10
monoclinic
2/m
9,038.043733
false
[CIF] data_AlCdOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53641890 _cell_length_b 4.53641890 _cell_length_c 4.53641890 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdOsAu _chemical_formula_sum 'Al1 Cd1 Os1 Au1' _cell_volume 66.01223804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 4.81159885 4.81159885 4.81159885 1 Cd Cd2 1 3.20773257 3.20773257 3.20773257 1 Os Os3 1 1.60386628 1.60386628 1.60386628 1 [/CIF]
AlAuCdOs
F-43m
216
cubic
-43m
13,246.358723
false
[CIF] data_AlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20021428 _cell_length_b 6.47296493 _cell_length_c 6.47296493 _cell_angle_alpha 26.52535202 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi _chemical_formula_sum 'Al3 Ni3' _cell_volume 78.59421900 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.10010714 0.00000000 0.00000000 1 Al Al1 1 0.00000000 -0.00000000 6.30032142 1 Al Al2 1 0.00000000 0.00000000 2.10010714 1 Ni Ni3 1 2.10010714 0.00000000 8.40042856 1 Ni Ni4 1 2.10010714 0.00000000 4.20021428 1 Ni Ni5 1 0.00000000 -0.00000000 10.50053570 1 [/CIF]
Al3Ni3
Amm2
38
orthorhombic
mm2
5,430.421641
false
[CIF] data_BePdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56345721 _cell_length_b 4.56345721 _cell_length_c 3.95848419 _cell_angle_alpha 107.58862171 _cell_angle_beta 107.58862171 _cell_angle_gamma 106.03019285 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePdSe2 _chemical_formula_sum 'Be1 Pd1 Se2' _cell_volume 68.51057206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.74539674 0.00000000 0.00000000 1 Se Se2 1 0.37854278 -1.82263123 1.71144791 1 Se Se3 1 0.37854278 1.82263123 1.71144791 1 [/CIF]
BePdSe2
C2/m
12
monoclinic
2/m
6,625.429674
false
[CIF] data_CuTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07024972 _cell_length_b 4.07024972 _cell_length_c 4.07024972 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcMo _chemical_formula_sum 'Cu1 Tc1 Mo1' _cell_volume 47.68130885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.31715177 4.31715177 4.31715177 1 Tc Tc2 1 1.43905059 1.43905059 1.43905059 1 [/CIF]
CuMoTc
F-43m
216
cubic
-43m
8,999.408022
false
[CIF] data_CrCuRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01850877 _cell_length_b 6.01850877 _cell_length_c 6.01850877 _cell_angle_alpha 154.72195543 _cell_angle_beta 154.72195543 _cell_angle_gamma 36.05109607 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCuRe _chemical_formula_sum 'Cr1 Cu1 Re1' _cell_volume 39.70048962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.41137360 1 Cu Cu1 1 -0.00000000 0.00000000 3.85863437 1 Re Re2 1 -0.00000000 0.00000000 7.62244044 1 [/CIF]
CrCuRe
I4mm
107
tetragonal
4mm
12,621.158421
false
[CIF] data_Y2MgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12349467 _cell_length_b 4.12349467 _cell_length_c 7.74640325 _cell_angle_alpha 102.61310121 _cell_angle_beta 102.61310121 _cell_angle_gamma 56.89266262 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MgRh _chemical_formula_sum 'Y2 Mg1 Rh1' _cell_volume 106.87319305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66372395 0.00000000 3.75185422 1 Y Y2 1 0.31908770 -0.00000000 5.20559943 1 Y Y3 1 5.00836021 -0.00000000 2.29810901 1 [/CIF]
MgRhY2
C2/m
12
monoclinic
2/m
4,739.273384
false
[CIF] data_CaB2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47458351 _cell_length_b 4.47458351 _cell_length_c 4.47458351 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaB2As _chemical_formula_sum 'Ca1 B2 As1' _cell_volume 63.34945083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.74601251 4.74601251 4.74601251 1 B B1 1 1.58200417 1.58200417 1.58200417 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Ca Ca3 1 3.16400834 3.16400834 3.16400834 1 [/CIF]
AsB2Ca
F-43m
216
cubic
-43m
3,581.175545
false
[CIF] data_MnNbAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35130210 _cell_length_b 5.35130210 _cell_length_c 5.35130210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbAu4 _chemical_formula_sum 'Mn1 Nb1 Au4' _cell_volume 108.35860579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.83732937 2.83732937 4.73055463 1 Au Au1 1 2.83732937 4.73055463 2.83732937 1 Au Au2 1 4.73055463 2.83732937 2.83732937 1 Au Au3 1 4.73055463 4.73055463 4.73055463 1 Mn Mn4 1 0.00000000 0.00000000 0.00000000 1 Nb Nb5 1 1.89197100 1.89197100 1.89197100 1 [/CIF]
Au4MnNb
F-43m
216
cubic
-43m
14,339.278018
false
[CIF] data_ZrCF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96674445 _cell_length_b 3.96674445 _cell_length_c 3.96674445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCF3 _chemical_formula_sum 'Zr1 C1 F3' _cell_volume 62.41696800 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 F F1 1 1.98337223 0.00000000 0.00000000 1 F F2 1 0.00000000 1.98337223 0.00000000 1 F F3 1 0.00000000 0.00000000 1.98337223 1 Zr Zr4 1 1.98337223 1.98337223 1.98337223 1 [/CIF]
CF3Zr
Pm-3m
221
cubic
m-3m
4,262.751509
false
[CIF] data_MnGaPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91443658 _cell_length_b 4.91443658 _cell_length_c 4.91443658 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGaPbAu _chemical_formula_sum 'Mn1 Ga1 Pb1 Au1' _cell_volume 83.92787099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.21254715 5.21254715 5.21254715 1 Ga Ga1 1 1.73751572 1.73751572 1.73751572 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.47503143 3.47503143 3.47503143 1 [/CIF]
AuGaMnPb
F-43m
216
cubic
-43m
10,463.019044
false
[CIF] data_CuBi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90663810 _cell_length_b 4.90663810 _cell_length_c 4.55026234 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBi2Pb _chemical_formula_sum 'Cu1 Bi2 Pb1' _cell_volume 109.54800923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.45331905 0.00000000 2.27513117 1 Bi Bi1 1 0.00000000 2.45331905 2.27513117 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.45331905 2.45331905 0.00000000 1 [/CIF]
Bi2CuPb
P4/mmm
123
tetragonal
4/mmm
10,439.482697
false
[CIF] data_LaYTlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14065721 _cell_length_b 5.14065721 _cell_length_c 5.14065721 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYTlTc _chemical_formula_sum 'La1 Y1 Tl1 Tc1' _cell_volume 96.05963598 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81749679 1.81749679 1.81749679 1 Tc Tc1 1 5.45249036 5.45249036 5.45249036 1 Tl Tl2 1 3.63499357 3.63499357 3.63499357 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaTcTlY
F-43m
216
cubic
-43m
9,180.897376
false
[CIF] data_KNb2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86853918 _cell_length_b 2.86853918 _cell_length_c 10.57424036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNb2Ir _chemical_formula_sum 'K1 Nb2 Ir1' _cell_volume 87.01031685 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 5.28712018 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.43426959 1.43426959 3.38471854 1 Nb Nb3 1 1.43426959 1.43426959 7.18952182 1 [/CIF]
IrKNb2
P4/mmm
123
tetragonal
4/mmm
7,960.635755
false
[CIF] data_SiRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96895606 _cell_length_b 3.07649306 _cell_length_c 7.38014380 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.64074977 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiRh2Pb _chemical_formula_sum 'Si1 Rh2 Pb1' _cell_volume 66.25086734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.68137320 0.00000000 3.62661842 1 Rh Rh1 1 0.12694784 1.53824653 5.90270685 1 Rh Rh2 1 1.47926182 1.53824653 1.35053000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbRh2Si
P2/m
10
monoclinic
2/m
11,055.824622
false
[CIF] data_YFeRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84654487 _cell_length_b 4.84654487 _cell_length_c 4.84654487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeRh3 _chemical_formula_sum 'Y1 Fe1 Rh3' _cell_volume 113.84047877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 2.42327243 2.42327243 2.42327243 1 Rh Rh1 1 2.42327243 0.00000000 2.42327243 1 Rh Rh2 1 2.42327243 2.42327243 0.00000000 1 Rh Rh3 1 0.00000000 2.42327243 2.42327243 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeRh3Y
Pm-3m
221
cubic
m-3m
6,614.521111
false
[CIF] data_LuNb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86280649 _cell_length_b 4.86280649 _cell_length_c 4.86280649 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuNb2Te _chemical_formula_sum 'Lu1 Nb2 Te1' _cell_volume 81.31037544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 3.43852345 3.43852345 3.43852345 1 Nb Nb1 1 1.71926172 1.71926172 1.71926172 1 Nb Nb2 1 5.15778517 5.15778517 5.15778517 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LuNb2Te
Fm-3m
225
cubic
m-3m
9,973.798969
false
[CIF] data_Sr2ReB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72210117 _cell_length_b 5.72210117 _cell_length_c 5.72210117 _cell_angle_alpha 131.74046751 _cell_angle_beta 131.74046751 _cell_angle_gamma 70.63924038 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ReB2 _chemical_formula_sum 'Sr2 Re1 B2' _cell_volume 102.19185105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 -0.00000000 5.81496352 1 B B1 1 -0.00000000 0.00000000 3.52281508 1 Re Re2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 2.33922151 2.33444465 1 Sr Sr4 1 2.33922151 -0.00000000 2.33444465 1 [/CIF]
B2ReSr2
I4/mmm
139
tetragonal
4/mmm
6,224.576942
false
[CIF] data_K2FeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62764989 _cell_length_b 3.62764989 _cell_length_c 10.37321581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2FeBi _chemical_formula_sum 'K2 Fe1 Bi1' _cell_volume 136.50989893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81382494 1.81382494 6.02516664 1 Fe Fe1 1 0.00000000 0.00000000 7.02271772 1 K K2 1 1.81382494 1.81382494 9.57204464 1 K K3 1 0.00000000 0.00000000 3.31311053 1 [/CIF]
BiFeK2
P4mm
99
tetragonal
4mm
4,172.61482
false
[CIF] data_MnGeWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46017402 _cell_length_b 4.46017402 _cell_length_c 4.46017402 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGeWAu _chemical_formula_sum 'Mn1 Ge1 W1 Au1' _cell_volume 62.73940765 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy W W0 1 1.57690965 1.57690965 1.57690965 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 4.73072895 4.73072895 4.73072895 1 Au Au3 1 3.15381930 3.15381930 3.15381930 1 [/CIF]
AuGeMnW
F-43m
216
cubic
-43m
13,455.538456
false
[CIF] data_LiCrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17764466 _cell_length_b 4.17764466 _cell_length_c 4.17764466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrAu _chemical_formula_sum 'Li1 Cr1 Au1' _cell_volume 51.55603318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47702043 1.47702043 1.47702044 1 Cr Cr1 1 4.43106131 4.43106131 4.43106131 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCrLi
F-43m
216
cubic
-43m
8,242.256308
false
[CIF] data_MgZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88817579 _cell_length_b 4.88817579 _cell_length_c 4.88817579 _cell_angle_alpha 141.95695816 _cell_angle_beta 133.90419399 _cell_angle_gamma 61.24909592 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZn2 _chemical_formula_sum 'Mg1 Zn2' _cell_volume 51.29926673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 -0.00000000 -0.00000000 2.78033980 1 Zn Zn2 1 0.00000000 0.00000000 5.63244393 1 [/CIF]
Mg2Zn4
Immm
71
orthorhombic
mmm
5,019.399044
false
[CIF] data_Ir2AuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87266381 _cell_length_b 3.70813986 _cell_length_c 6.01780768 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir2AuCl _chemical_formula_sum 'Ir2 Au1 Cl1' _cell_volume 64.10312674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00890384 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 1.43633190 1.85406993 1.45189142 1 Ir Ir3 1 1.43633190 1.85406993 4.56591626 1 [/CIF]
AuClIr2
Pmmm
47
orthorhombic
mmm
15,979.087166
false
[CIF] data_LiNbReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56331251 _cell_length_b 4.56331251 _cell_length_c 4.56331251 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbReHg _chemical_formula_sum 'Li1 Nb1 Re1 Hg1' _cell_volume 67.19324835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61337461 1.61337461 1.61337461 1 Li Li1 1 0.00000000 -0.00000000 0.00000000 1 Nb Nb2 1 4.84012383 4.84012383 4.84012383 1 Re Re3 1 3.22674922 3.22674922 3.22674922 1 [/CIF]
HgLiNbRe
F-43m
216
cubic
-43m
12,026.386941
false
[CIF] data_TcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96838814 _cell_length_b 2.96838814 _cell_length_c 8.39565825 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcHg _chemical_formula_sum 'Tc2 Hg2' _cell_volume 73.97689987 _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 Hg Hg0 1 1.48419407 0.00000000 7.10014286 1 Hg Hg1 1 0.00000000 1.48419407 1.29551539 1 Tc Tc2 1 1.48419407 0.00000000 3.48083521 1 Tc Tc3 1 0.00000000 1.48419407 4.91482304 1 [/CIF]
Hg2Tc2
P4/nmm
129
tetragonal
4/mmm
13,445.417184
false
[CIF] data_Si2NiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49815741 _cell_length_b 4.49815741 _cell_length_c 4.49815741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiBr _chemical_formula_sum 'Si2 Ni1 Br1' _cell_volume 64.35598634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59033881 1.59033881 1.59033881 1 Ni Ni1 1 3.18067761 3.18067761 3.18067761 1 Si Si2 1 4.77101642 4.77101642 4.77101642 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrNiSi2
F-43m
216
cubic
-43m
5,025.492662
false
[CIF] data_BPt2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95826375 _cell_length_b 6.95826375 _cell_length_c 6.95826375 _cell_angle_alpha 154.93944107 _cell_angle_beta 154.92324387 _cell_angle_gamma 35.74731032 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPt2Cl _chemical_formula_sum 'B1 Pt2 Cl1' _cell_volume 60.40829118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.27887868 1 Cl Cl1 1 0.00000000 1.51059391 4.09658704 1 Pt Pt2 1 -0.00000000 -0.00000000 13.00500778 1 Pt Pt3 1 1.50963382 -0.00000000 2.10923654 1 [/CIF]
BClPt2
Imm2
44
orthorhombic
mm2
11,996.902607
false
[CIF] data_Zn2PbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92425125 _cell_length_b 2.92425125 _cell_length_c 9.04532844 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2PbW _chemical_formula_sum 'Zn2 Pb1 W1' _cell_volume 77.34882297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.46212563 1.46212563 4.71368084 1 W W1 1 0.00000000 0.00000000 7.14385902 1 Zn Zn2 1 1.46212563 1.46212563 9.01428994 1 Zn Zn3 1 0.00000000 0.00000000 1.74149130 1 [/CIF]
PbWZn2
P4mm
99
tetragonal
4mm
11,202.100454
false
[CIF] data_MgAg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17328562 _cell_length_b 4.17328562 _cell_length_c 4.06066153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAg2Mo _chemical_formula_sum 'Mg1 Ag2 Mo1' _cell_volume 70.72175165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08664281 0.00000000 2.03033076 1 Ag Ag1 1 0.00000000 2.08664281 2.03033076 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 2.08664281 2.08664281 0.00000000 1 [/CIF]
Ag2MgMo
P4/mmm
123
tetragonal
4/mmm
7,889.276469
false
[CIF] data_LaMgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47940875 _cell_length_b 3.47940875 _cell_length_c 6.77341230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgPt2 _chemical_formula_sum 'La1 Mg1 Pt2' _cell_volume 82.00086142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38670615 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.73970438 1.73970438 1.43423531 1 Pt Pt3 1 1.73970438 1.73970438 5.33917699 1 [/CIF]
LaMgPt2
P4/mmm
123
tetragonal
4/mmm
11,206.059939
false
[CIF] data_ScSnMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66516771 _cell_length_b 4.66516771 _cell_length_c 4.66516771 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSnMoPd _chemical_formula_sum 'Sc1 Sn1 Mo1 Pd1' _cell_volume 71.79377405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64938586 1.64938586 1.64938586 1 Pd Pd1 1 4.94815758 4.94815758 4.94815758 1 Sc Sc2 1 0.00000000 -0.00000000 0.00000000 1 Sn Sn3 1 3.29877172 3.29877172 3.29877172 1 [/CIF]
MoPdScSn
F-43m
216
cubic
-43m
8,466.382288
false
[CIF] data_SmTaV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73110678 _cell_length_b 4.73110678 _cell_length_c 4.73110678 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTaV2 _chemical_formula_sum 'Sm1 Ta1 V2' _cell_volume 74.88127880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 3.34539769 3.34539769 3.34539769 1 V V2 1 5.01809653 5.01809653 5.01809653 1 V V3 1 1.67269884 1.67269884 1.67269884 1 [/CIF]
SmTaV2
Fm-3m
225
cubic
m-3m
9,606.277978
false
[CIF] data_ScGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28301681 _cell_length_b 5.28301681 _cell_length_c 5.84477286 _cell_angle_alpha 107.60386292 _cell_angle_beta 107.60386292 _cell_angle_gamma 44.67474058 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGa2 _chemical_formula_sum 'Sc2 Ga4' _cell_volume 108.38895604 _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 Ga Ga0 1 7.62502981 0.00000000 5.20573226 1 Ga Ga1 1 1.90251643 0.00000000 3.32858129 1 Ga Ga2 1 5.80368792 0.00000000 1.61692200 1 Ga Ga3 1 4.58956614 0.00000000 4.33918128 1 Sc Sc4 1 8.84178683 0.00000000 2.51935523 1 Sc Sc5 1 2.64957569 0.00000000 0.48135796 1 [/CIF]
Ga4Sc2
Cm
8
monoclinic
m
5,650.143521
false
[CIF] data_BaYCuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22973337 _cell_length_b 5.22973337 _cell_length_c 5.22973337 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYCuHg _chemical_formula_sum 'Ba1 Y1 Cu1 Hg1' _cell_volume 101.14016202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84898996 1.84898996 1.84898996 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.54696990 5.54696990 5.54696990 1 Y Y3 1 3.69797993 3.69797993 3.69797993 1 [/CIF]
BaCuHgY
F-43m
216
cubic
-43m
8,050.972197
false
[CIF] data_B4RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67851812 _cell_length_b 4.67851812 _cell_length_c 4.67851812 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B4RhPb _chemical_formula_sum 'B4 Rh1 Pb1' _cell_volume 72.41190122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32499915 4.32499915 2.29142463 1 B B1 1 4.32499915 2.29142463 4.32499915 1 B B2 1 2.29142463 4.32499915 4.32499915 1 B B3 1 2.29142463 2.29142463 2.29142463 1 Pb Pb4 1 4.96231784 4.96231784 4.96231784 1 Rh Rh5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B4PbRh
F-43m
216
cubic
-43m
8,102.958755
false
[CIF] data_CdHgPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68327252 _cell_length_b 4.68327252 _cell_length_c 4.68327252 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdHgPdW _chemical_formula_sum 'Cd1 Hg1 Pd1 W1' _cell_volume 72.63288483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65578688 1.65578688 1.65578688 1 Hg Hg1 1 3.31157376 3.31157376 3.31157376 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.96736064 4.96736064 4.96736064 1 [/CIF]
CdHgPdW
F-43m
216
cubic
-43m
13,791.803262
false
[CIF] data_VPt2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18218372 _cell_length_b 3.30765293 _cell_length_c 7.16920927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPt2Br _chemical_formula_sum 'V1 Pt2 Br1' _cell_volume 75.45993729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65382646 3.58460463 1 Pt Pt1 1 1.59109186 1.65382646 5.82641400 1 Pt Pt2 1 1.59109186 1.65382646 1.34279526 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrPt2V
Pmmm
47
orthorhombic
mmm
11,465.216828
false
[CIF] data_Cs2CaPr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01193247 _cell_length_b 7.01193247 _cell_length_c 7.01193247 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2CaPr _chemical_formula_sum 'Cs2 Ca1 Pr1' _cell_volume 243.78005860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cs Cs1 1 7.43727750 7.43727750 7.43727750 1 Cs Cs2 1 2.47909250 2.47909250 2.47909250 1 Pr Pr3 1 4.95818500 4.95818500 4.95818500 1 [/CIF]
CaCs2Pr
Fm-3m
225
cubic
m-3m
3,043.411904
false
[CIF] data_Ba2YPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13182706 _cell_length_b 4.13182706 _cell_length_c 10.35894138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2YPb _chemical_formula_sum 'Ba2 Y1 Pb1' _cell_volume 176.84779393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.06591353 2.06591353 9.95539256 1 Ba Ba1 1 0.00000000 0.00000000 3.27161712 1 Pb Pb2 1 2.06591353 2.06591353 5.59660040 1 Y Y3 1 0.00000000 0.00000000 7.07374338 1 [/CIF]
Ba2PbY
P4mm
99
tetragonal
4mm
5,359.235801
false
[CIF] data_FeNi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54385834 _cell_length_b 4.54385834 _cell_length_c 2.56667781 _cell_angle_alpha 91.41101661 _cell_angle_beta 91.41101661 _cell_angle_gamma 111.71107142 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNi2Mo _chemical_formula_sum 'Fe1 Ni2 Mo1' _cell_volume 49.18660518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.55038335 0.00000000 0.00000000 1 Ni Ni2 1 1.21888936 -1.88030538 1.28210327 1 Ni Ni3 1 1.21888936 1.88030538 1.28210327 1 [/CIF]
FeMoNi2
C2/m
12
monoclinic
2/m
9,087.911204
false
[CIF] data_BaNaTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76857004 _cell_length_b 5.76857004 _cell_length_c 3.33987692 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaTi _chemical_formula_sum 'Ba1 Na1 Ti1' _cell_volume 96.24926787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.88428505 1.66524272 0.16116432 1 Na Na1 1 0.00000000 0.00000000 1.15154147 1 Ti Ti2 1 0.00000003 3.33048545 2.02717113 1 [/CIF]
BaNaTi
P3m1
156
trigonal
3m
3,591.687393
false
[CIF] data_As2WSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58819988 _cell_length_b 4.58819988 _cell_length_c 4.58819988 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2WSe _chemical_formula_sum 'As2 W1 Se1' _cell_volume 68.29862970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 4.86652088 4.86652088 4.86652088 1 Se Se2 1 3.24434725 3.24434725 3.24434725 1 W W3 1 1.62217363 1.62217363 1.62217363 1 [/CIF]
As2SeW
F-43m
216
cubic
-43m
10,032.560787
false
[CIF] data_Sr2SnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78468017 _cell_length_b 3.78468017 _cell_length_c 8.56703937 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2SnSe _chemical_formula_sum 'Sr2 Sn1 Se1' _cell_volume 122.71259238 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 0.00000000 4.28351968 1 Sr Sr2 1 1.89234008 1.89234008 6.67983291 1 Sr Sr3 1 1.89234008 1.89234008 1.88720646 1 [/CIF]
SeSnSr2
P4/mmm
123
tetragonal
4/mmm
5,046.198177
false
[CIF] data_BeBRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73515644 _cell_length_b 2.73515644 _cell_length_c 5.55764611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeBRu2 _chemical_formula_sum 'Be1 B1 Ru2' _cell_volume 41.57719934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77882306 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.36757822 1.36757822 1.48427977 1 Ru Ru3 1 1.36757822 1.36757822 4.07336634 1 [/CIF]
BBeRu2
P4/mmm
123
tetragonal
4/mmm
8,864.919738
false
[CIF] data_FeCoTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18668975 _cell_length_b 4.18668975 _cell_length_c 2.95251239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCoTc2 _chemical_formula_sum 'Fe1 Co1 Tc2' _cell_volume 51.75273274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09334488 2.09334488 0.00000000 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 0.00000000 2.09334488 1.47625619 1 Tc Tc3 1 2.09334488 0.00000000 1.47625619 1 [/CIF]
CoFeTc2
P4/mmm
123
tetragonal
4/mmm
10,029.78717
false
[CIF] data_Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16489908 _cell_length_b 3.16489908 _cell_length_c 3.16489908 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf _chemical_formula_sum Hf1 _cell_volume 22.41633467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2
Fm-3m
225
cubic
m-3m
13,222.052105
false
[CIF] data_HfMg2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.62215491 _cell_length_b 10.62215491 _cell_length_c 10.62215491 _cell_angle_alpha 16.87260786 _cell_angle_beta 16.87260786 _cell_angle_gamma 16.87260786 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg2Cd _chemical_formula_sum 'Hf1 Mg2 Cd1' _cell_volume 88.06918429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.71684858 1 Hf Hf1 1 -0.00000000 -0.00000000 23.56589210 1 Mg Mg2 1 -0.00000000 -0.00000000 0.00028799 1 Mg Mg3 1 -0.00000000 0.00000000 7.82578903 1 [/CIF]
CdHfMg2
R3m
160
trigonal
3m
6,401.459079
false
[CIF] data_Co2AgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85000393 _cell_length_b 4.85000393 _cell_length_c 4.53367438 _cell_angle_alpha 105.12309438 _cell_angle_beta 105.12309438 _cell_angle_gamma 32.02422021 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2AgW _chemical_formula_sum 'Co2 Ag1 W1' _cell_volume 54.42776632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.61049403 0.00000000 0.92084803 1 Co Co1 1 9.09786680 0.00000000 0.05552314 1 Co Co2 1 1.62100108 -0.00000000 3.18356247 1 W W3 1 4.13401796 -0.00000000 2.38528594 1 [/CIF]
AgCo2W
Cm
8
monoclinic
m
12,495.728805
false
[CIF] data_Re2AgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95378835 _cell_length_b 3.95378835 _cell_length_c 3.97124219 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2AgMo _chemical_formula_sum 'Re2 Ag1 Mo1' _cell_volume 62.08021446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97689417 1.97689417 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.00000000 1.97689417 1.98562109 1 Re Re3 1 1.97689417 0.00000000 1.98562109 1 [/CIF]
AgMoRe2
P4/mmm
123
tetragonal
4/mmm
15,413.488714
false
[CIF] data_Zn2ReTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38247428 _cell_length_b 4.38247428 _cell_length_c 3.56084829 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2ReTe _chemical_formula_sum 'Zn2 Re1 Te1' _cell_volume 68.38994003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19123714 2.19123714 0.00000000 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 2.19123714 1.78042415 1 Zn Zn3 1 2.19123714 0.00000000 1.78042415 1 [/CIF]
ReTeZn2
P4/mmm
123
tetragonal
4/mmm
10,794.290373
false
[CIF] data_AsP2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48932555 _cell_length_b 5.48932555 _cell_length_c 5.70932029 _cell_angle_alpha 112.77630583 _cell_angle_beta 112.77630583 _cell_angle_gamma 35.18861638 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsP2Pb _chemical_formula_sum 'As1 P2 Pb1' _cell_volume 90.59540453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 7.25770482 0.00000000 0.56655042 1 P P2 1 0.88862965 0.00000000 4.65070642 1 Pb Pb3 1 4.07316723 -0.00000000 2.60862842 1 [/CIF]
AsP2Pb
C2/m
12
monoclinic
2/m
6,306.503348
false
[CIF] data_Te2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80957300 _cell_length_b 4.80957300 _cell_length_c 3.40723487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2PtRh _chemical_formula_sum 'Te2 Pt1 Rh1' _cell_volume 78.81613126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40478650 2.40478650 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.40478650 1.70361743 1 Te Te3 1 2.40478650 0.00000000 1.70361743 1 [/CIF]
PtRhTe2
P4/mmm
123
tetragonal
4/mmm
11,654.882843
false
[CIF] data_HfClF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14073950 _cell_length_b 4.14073950 _cell_length_c 4.14073950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfClF3 _chemical_formula_sum 'Hf1 Cl1 F3' _cell_volume 70.99597500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 F F1 1 0.00000000 2.07036975 2.07036975 1 F F2 1 2.07036975 0.00000000 2.07036975 1 F F3 1 2.07036975 2.07036975 0.00000000 1 Hf Hf4 1 2.07036975 2.07036975 2.07036975 1 [/CIF]
ClF3Hf
Pm-3m
221
cubic
m-3m
6,337.028003
false
[CIF] data_HfBeFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79268723 _cell_length_b 4.79268723 _cell_length_c 4.79268723 _cell_angle_alpha 142.93829327 _cell_angle_beta 142.93829327 _cell_angle_gamma 53.41791660 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeFe _chemical_formula_sum 'Hf1 Be1 Fe1' _cell_volume 39.73238845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.23570366 1 Fe Fe1 1 0.00000000 0.00000000 5.48730120 1 Hf Hf2 1 0.00000000 -0.00000000 2.83962094 1 [/CIF]
BeFeHf
I4mm
107
tetragonal
4mm
10,170.231489
false
[CIF] data_BeCoSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.57634233 _cell_length_b 2.57634233 _cell_length_c 6.83023511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoSi2 _chemical_formula_sum 'Be1 Co1 Si2' _cell_volume 45.33595730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64208053 1 Co Co1 1 1.28817116 1.28817116 4.99680534 1 Si Si2 1 0.00000000 0.00000000 6.47780167 1 Si Si3 1 1.28817116 1.28817116 1.95890016 1 [/CIF]
BeCoSi2
P4mm
99
tetragonal
4mm
4,546.064343
false
[CIF] data_Bi2MoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85768430 _cell_length_b 4.62366178 _cell_length_c 5.59711430 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.25737885 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2MoAs _chemical_formula_sum 'Bi2 Mo1 As1' _cell_volume 94.24760633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.28319123 0.00000000 3.87622932 1 Bi Bi1 1 -1.62903754 2.31183089 4.97930004 1 Bi Bi2 1 2.22908750 0.00000000 1.61797088 1 Mo Mo3 1 0.28829343 2.31183089 2.73634092 1 [/CIF]
AsBi2Mo
Pm
6
monoclinic
m
10,374.754833
false
[CIF] data_Au2SeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50048893 _cell_length_b 3.50048893 _cell_length_c 7.18225345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Au2SeBr _chemical_formula_sum 'Au2 Se1 Br1' _cell_volume 88.00718756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75024446 1.75024446 1.45065352 1 Au Au1 1 1.75024446 1.75024446 5.73159993 1 Br Br2 1 0.00000000 0.00000000 3.59112673 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BrSe
P4/mmm
123
tetragonal
4/mmm
10,430.616265
false
[CIF] data_TiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36119962 _cell_length_b 3.36119962 _cell_length_c 3.22297814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiP _chemical_formula_sum 'Ti1 P1' _cell_volume 31.53382140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 1.68059981 0.97029475 1.61148907 1 [/CIF]
PTi
P-6m2
187
hexagonal
-6m2
4,151.674601
false
[CIF] data_ZrBeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72706242 _cell_length_b 4.72706242 _cell_length_c 4.72706242 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBeSe2 _chemical_formula_sum 'Zr1 Be1 Se2' _cell_volume 74.68940722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 3.34253789 3.34253789 3.34253789 1 Se Se2 1 1.67126895 1.67126895 1.67126894 1 Zr Zr3 1 5.01380684 5.01380684 5.01380684 1 [/CIF]
BeSe2Zr
F-43m
216
cubic
-43m
5,739.480891
false
[CIF] data_Al2WBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61616137 _cell_length_b 4.61616137 _cell_length_c 4.61616137 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2WBr _chemical_formula_sum 'Al2 W1 Br1' _cell_volume 69.55493514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.89617851 4.89617851 4.89617851 1 Br Br2 1 3.26411901 3.26411901 3.26411901 1 W W3 1 1.63205950 1.63205950 1.63205950 1 [/CIF]
Al2BrW
F-43m
216
cubic
-43m
7,584.868167
false
[CIF] data_VTcNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59167813 _cell_length_b 4.59167813 _cell_length_c 4.59167813 _cell_angle_alpha 135.29475373 _cell_angle_beta 132.92064534 _cell_angle_gamma 66.93844435 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTcNi2 _chemical_formula_sum 'V1 Tc1 Ni2' _cell_volume 49.06353275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83384295 1.93115793 1 Ni Ni1 1 1.74624162 -0.00000000 1.89913818 1 Tc Tc2 1 0.00000000 0.00000000 3.83029611 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2TcV
Immm
71
orthorhombic
mmm
9,044.463419
false
[CIF] data_AlMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35168481 _cell_length_b 5.35168481 _cell_length_c 5.35168481 _cell_angle_alpha 147.78807712 _cell_angle_beta 147.78807712 _cell_angle_gamma 46.19830549 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlMoRu _chemical_formula_sum 'Al1 Mo1 Ru1' _cell_volume 43.40068166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06990070 1 Mo Mo1 1 0.00000000 -0.00000000 3.24657685 1 Ru Ru2 1 -0.00000000 0.00000000 6.52877402 1 [/CIF]
AlMoRu
I4mm
107
tetragonal
4mm
8,570.831078
false
[CIF] data_Nb2TeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74511006 _cell_length_b 4.74511006 _cell_length_c 4.74511006 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TeAu _chemical_formula_sum 'Nb2 Te1 Au1' _cell_volume 75.54815663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.35529950 3.35529950 3.35529950 1 Nb Nb1 1 1.67764975 1.67764975 1.67764975 1 Nb Nb2 1 5.03294925 5.03294925 5.03294925 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNb2Te
Fm-3m
225
cubic
m-3m
11,218.074039
false
[CIF] data_Cr2SiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58149008 _cell_length_b 6.58149008 _cell_length_c 6.58149008 _cell_angle_alpha 153.70715875 _cell_angle_beta 145.76057460 _cell_angle_gamma 43.67774968 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2SiBi _chemical_formula_sum 'Cr2 Si1 Bi1' _cell_volume 70.86793550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49689635 0.00000000 2.49168367 1 Cr Cr1 1 0.00000000 0.00000000 12.06118730 1 Cr Cr2 1 -0.00000000 1.93738764 4.22617368 1 Si Si3 1 -0.00000000 0.00000000 5.65759727 1 [/CIF]
BiCr2Si
Imm2
44
orthorhombic
mm2
7,991.488605
false
[CIF] data_OsPbWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69790246 _cell_length_b 4.69790246 _cell_length_c 4.69790246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPbWAu _chemical_formula_sum 'Os1 Pb1 W1 Au1' _cell_volume 73.31570076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66095935 1.66095935 1.66095935 1 Os Os1 1 4.98287804 4.98287804 4.98287804 1 Pb Pb2 1 3.32191869 3.32191869 3.32191869 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuOsPbW
F-43m
216
cubic
-43m
17,626.404883
false
[CIF] data_HfTaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59375331 _cell_length_b 5.59375331 _cell_length_c 5.59375331 _cell_angle_alpha 145.45661189 _cell_angle_beta 145.45661189 _cell_angle_gamma 49.65458753 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaW _chemical_formula_sum 'Hf1 Ta1 W1' _cell_volume 56.01228611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 -0.00000000 0.05548772 1 Ta Ta1 1 -0.00000000 0.00000000 3.21959653 1 W W2 1 -0.00000000 0.00000000 6.87844574 1 [/CIF]
HfTaW
I4mm
107
tetragonal
4mm
16,106.004706
false
[CIF] data_ReGeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47597704 _cell_length_b 4.47597704 _cell_length_c 4.47597704 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReGeTe _chemical_formula_sum 'Re1 Ge1 Te1' _cell_volume 63.40865680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 4.74749058 4.74749058 4.74749058 1 Te Te2 1 1.58249686 1.58249686 1.58249686 1 [/CIF]
GeReTe
F-43m
216
cubic
-43m
10,120.232363
false
[CIF] data_VF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83664437 _cell_length_b 4.83664437 _cell_length_c 3.25473807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VF2 _chemical_formula_sum 'V2 F4' _cell_volume 76.13850676 _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 1.47753377 1.47753377 0.00000000 1 F F1 1 3.35911060 3.35911060 0.00000000 1 F F2 1 3.89585595 0.94078842 1.62736904 1 F F3 1 0.94078842 3.89585595 1.62736904 1 V V4 1 0.00000000 0.00000000 0.00000000 1 V V5 1 2.41832219 2.41832219 1.62736904 1 [/CIF]
F4V2
P4_2/mnm
136
tetragonal
4/mmm
3,879.391351
false
[CIF] data_KSiPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91453059 _cell_length_b 4.91453059 _cell_length_c 4.91453059 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSiPd3 _chemical_formula_sum 'K1 Si1 Pd3' _cell_volume 118.69874519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45726530 2.45726530 2.45726530 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 2.45726530 0.00000000 2.45726530 1 Pd Pd3 1 2.45726530 2.45726530 0.00000000 1 Pd Pd4 1 0.00000000 2.45726530 2.45726530 1 [/CIF]
KPd3Si
Pm-3m
221
cubic
m-3m
5,406.165212
false
[CIF] data_LaHg2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72437790 _cell_length_b 3.72437790 _cell_length_c 8.87417772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.33312533 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHg2Cl _chemical_formula_sum 'La1 Hg2 Cl1' _cell_volume 123.06031868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95188332 1 Hg Hg1 1 2.60271758 0.00000000 8.20750485 1 Hg Hg2 1 0.00000000 0.00000000 6.56584906 1 La La3 1 2.60271758 0.00000000 4.46020716 1 [/CIF]
ClHg2La
Cmm2
35
orthorhombic
mm2
7,766.143661
false
[CIF] data_ReAgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79942483 _cell_length_b 2.79942483 _cell_length_c 7.88758380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAgIr2 _chemical_formula_sum 'Re1 Ag1 Ir2' _cell_volume 61.81325407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.39971241 1.39971241 2.14362229 1 Ir Ir2 1 1.39971241 1.39971241 5.74396151 1 Re Re3 1 0.00000000 0.00000000 3.94379190 1 [/CIF]
AgIr2Re
P4/mmm
123
tetragonal
4/mmm
18,227.337333
false
[CIF] data_Ti2WC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76237870 _cell_length_b 4.76237870 _cell_length_c 2.92401373 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 124.97513024 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2WC _chemical_formula_sum 'Ti2 W1 C1' _cell_volume 54.34051079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 2.19993850 -2.76993038 1.46200687 1 Ti Ti2 1 2.19993850 2.76993038 1.46200687 1 W W3 1 2.19993850 -0.00000000 0.00000000 1 [/CIF]
CTi2W
Cmmm
65
orthorhombic
mmm
8,910.254623
false
[CIF] data_BaSrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34907826 _cell_length_b 5.34907826 _cell_length_c 5.34907826 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrPt2 _chemical_formula_sum 'Ba1 Sr1 Pt2' _cell_volume 108.22357041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.78236951 3.78236951 3.78236951 1 Pt Pt1 1 1.89118475 1.89118475 1.89118475 1 Pt Pt2 1 5.67355427 5.67355427 5.67355427 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPt2Sr
Fm-3m
225
cubic
m-3m
9,438.077899
false
[CIF] data_KCaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54452135 _cell_length_b 4.54452135 _cell_length_c 4.54452135 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaO3 _chemical_formula_sum 'K1 Ca1 O3' _cell_volume 93.85651929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27226068 2.27226068 2.27226068 1 K K1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 2.27226068 0.00000000 0.00000000 1 O O3 1 0.00000000 2.27226068 0.00000000 1 O O4 1 0.00000000 0.00000000 2.27226068 1 [/CIF]
CaKO3
Pm-3m
221
cubic
m-3m
2,250.011263
false
[CIF] data_BaMgScHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49252975 _cell_length_b 5.49252975 _cell_length_c 5.49252975 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgScHg _chemical_formula_sum 'Ba1 Mg1 Sc1 Hg1' _cell_volume 117.16617583 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88380503 3.88380503 3.88380503 1 Hg Hg1 1 1.94190251 1.94190252 1.94190252 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 5.82570755 5.82570755 5.82570755 1 [/CIF]
BaHgMgSc
F-43m
216
cubic
-43m
5,770.733961
false
[CIF] data_GaSbTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06010818 _cell_length_b 4.06010818 _cell_length_c 6.68957124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSbTe2 _chemical_formula_sum 'Ga1 Sb1 Te2' _cell_volume 110.27409283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 3.34478562 1 Te Te2 1 2.03005409 2.03005409 5.04972025 1 Te Te3 1 2.03005409 2.03005409 1.63985099 1 [/CIF]
GaSbTe2
P4/mmm
123
tetragonal
4/mmm
6,727.294244
false
[CIF] data_As2PbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08865101 _cell_length_b 4.08865101 _cell_length_c 6.38829992 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2PbSe _chemical_formula_sum 'As2 Pb1 Se1' _cell_volume 106.79363830 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04432550 2.04432550 0.83703530 1 As As1 1 0.00000000 0.00000000 0.53752689 1 Pb Pb2 1 2.04432550 2.04432550 3.74094097 1 Se Se3 1 0.00000000 0.00000000 4.46694672 1 [/CIF]
As2PbSe
P4mm
99
tetragonal
4mm
6,779.654528
false
[CIF] data_AlCrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60525351 _cell_length_b 5.59347351 _cell_length_c 2.62559478 _cell_angle_alpha 76.69054591 _cell_angle_beta 76.19074789 _cell_angle_gamma 27.11870620 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrNi _chemical_formula_sum 'Al1 Cr1 Ni1' _cell_volume 36.41035511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83872606 1.87425570 0.05387096 1 Cr Cr1 1 1.83872606 1.87425570 3.44138865 1 Ni Ni2 1 1.83872606 1.87425570 7.06997251 1 [/CIF]
AlCrNi
Fmm2
42
orthorhombic
mm2
6,278.657191
false
[CIF] data_Ca2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70496928 _cell_length_b 6.81411038 _cell_length_c 4.21844778 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2P _chemical_formula_sum 'Ca4 P2' _cell_volume 192.73413279 _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 Ca Ca0 1 1.83699027 4.60831668 0.00000000 1 Ca Ca1 1 4.86797901 2.20579370 0.00000000 1 Ca Ca2 1 5.18947491 5.61284889 2.10922389 1 Ca Ca3 1 1.51549437 1.20126149 2.10922389 1 P P4 1 0.00000000 0.00000000 0.00000000 1 P P5 1 3.35248464 3.40705519 2.10922389 1 [/CIF]
Ca4P2
Pnnm
58
orthorhombic
mmm
1,914.920918
false
[CIF] data_Al4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12860599 _cell_length_b 5.12860599 _cell_length_c 5.12860599 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al4Au _chemical_formula_sum 'Al4 Au1' _cell_volume 103.84273441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48050102 -1.48050102 1.48050103 1 Al Al1 1 1.48050102 1.48050102 1.48050102 1 Al Al2 1 1.48050102 1.48050102 -1.48050102 1 Al Al3 1 -1.48050102 1.48050102 1.48050103 1 Au Au4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al4Au
Im-3m
229
cubic
m-3m
4,875.509887
false
[CIF] data_LiCu2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12139074 _cell_length_b 3.12139074 _cell_length_c 5.58492980 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu2Au _chemical_formula_sum 'Li1 Cu2 Au1' _cell_volume 54.41441868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56069537 1.56069537 4.15359713 1 Cu Cu1 1 0.00000000 0.00000000 0.13038611 1 Cu Cu2 1 1.56069537 1.56069537 1.35339475 1 Li Li3 1 0.00000000 0.00000000 2.74001671 1 [/CIF]
AuCu2Li
P4mm
99
tetragonal
4mm
10,100.957221
false
[CIF] data_LiFeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52577441 _cell_length_b 4.52577441 _cell_length_c 4.52577441 _cell_angle_alpha 130.94108893 _cell_angle_beta 130.94108893 _cell_angle_gamma 71.90669309 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeRe2 _chemical_formula_sum 'Li1 Fe1 Re2' _cell_volume 51.73520072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87892501 1.83179664 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.87892501 -0.00000000 1.83179664 1 Re Re3 1 0.00000000 -0.00000000 3.66359327 1 [/CIF]
FeLiRe2
I-4m2
119
tetragonal
-42m
13,968.566695
false
[CIF] data_TaBe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44019052 _cell_length_b 4.44019052 _cell_length_c 4.44019052 _cell_angle_alpha 132.49384855 _cell_angle_beta 125.52568145 _cell_angle_gamma 75.13284027 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBe2Mo _chemical_formula_sum 'Ta1 Be2 Mo1' _cell_volume 51.16659442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78849020 0.00000000 1.73546460 1 Be Be1 1 -0.00000000 2.03216270 1.78403953 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 -0.00000000 0.00000000 3.51950414 1 [/CIF]
Be2MoTa
Immm
71
orthorhombic
mmm
9,571.834122
false
[CIF] data_HfRh2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54453841 _cell_length_b 4.54453841 _cell_length_c 4.54453841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRh2Se _chemical_formula_sum 'Hf1 Rh2 Se1' _cell_volume 66.36732885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.21347393 3.21347393 3.21347393 1 Rh Rh1 1 4.82021090 4.82021090 4.82021090 1 Rh Rh2 1 1.60673697 1.60673697 1.60673696 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfRh2Se
Fm-3m
225
cubic
m-3m
11,590.989149
false
[CIF] data_BaOs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90320210 _cell_length_b 3.86159198 _cell_length_c 7.68566707 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.91925763 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaOs2Pt _chemical_formula_sum 'Ba1 Os2 Pt1' _cell_volume 84.87585260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.31643844 0.00000000 5.66055264 1 Os Os1 1 0.13566324 1.93079599 0.68061867 1 Os Os2 1 1.59042054 0.00000000 1.62152879 1 Pt Pt3 1 1.77798019 1.93079599 3.39346652 1 [/CIF]
BaOs2Pt
Pm
6
monoclinic
m
13,946.842461
false
[CIF] data_YTa2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03596268 _cell_length_b 3.03596268 _cell_length_c 9.23586527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTa2Ti _chemical_formula_sum 'Y1 Ta2 Ti1' _cell_volume 85.12761111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.00000000 0.00000000 0.26916562 1 Ta Ta1 1 1.51798134 1.51798134 2.32269580 1 Ti Ti2 1 0.00000000 0.00000000 4.23006961 1 Y Y3 1 1.51798134 1.51798134 7.03186687 1 [/CIF]
Ta2TiY
P4mm
99
tetragonal
4mm
9,727.263545
false
[CIF] data_CaV2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57796321 _cell_length_b 4.57796321 _cell_length_c 4.57796321 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV2Rh _chemical_formula_sum 'Ca1 V2 Rh1' _cell_volume 67.84250837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.85566324 4.85566324 4.85566325 1 V V2 1 3.23710883 3.23710883 3.23710883 1 V V3 1 1.61855441 1.61855441 1.61855441 1 [/CIF]
CaRhV2
F-43m
216
cubic
-43m
5,993.445689
false
[CIF] data_Co2MoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50311363 _cell_length_b 4.50311363 _cell_length_c 2.80574634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.44479426 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2MoSe _chemical_formula_sum 'Co2 Mo1 Se1' _cell_volume 52.95618841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.26808373 1.86050309 1.40287317 1 Co Co1 1 1.26808373 -1.86050309 1.40287317 1 Mo Mo2 1 2.53616747 -0.00000000 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2MoSe
Cmmm
65
orthorhombic
mmm
9,180.857863
false
[CIF] data_NaTiNbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56966125 _cell_length_b 4.56966125 _cell_length_c 4.56966125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiNbRh _chemical_formula_sum 'Na1 Ti1 Nb1 Rh1' _cell_volume 67.47408810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.84685769 4.84685769 4.84685769 1 Rh Rh2 1 3.23123846 3.23123846 3.23123846 1 Ti Ti3 1 1.61561923 1.61561923 1.61561923 1 [/CIF]
NaNbRhTi
F-43m
216
cubic
-43m
6,562.722408
false
[CIF] data_BaZrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02301029 _cell_length_b 5.02301029 _cell_length_c 5.02301029 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrSi _chemical_formula_sum 'Ba1 Zr1 Si1' _cell_volume 89.61427723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77590232 1.77590232 1.77590232 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.32770696 5.32770696 5.32770696 1 [/CIF]
BaSiZr
F-43m
216
cubic
-43m
4,755.435711
false
[CIF] data_TiAg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90777014 _cell_length_b 3.90777014 _cell_length_c 4.37341619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAg2W _chemical_formula_sum 'Ti1 Ag2 W1' _cell_volume 66.78498433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95388507 0.00000000 2.18670810 1 Ag Ag1 1 0.00000000 1.95388507 2.18670810 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.95388507 1.95388507 0.00000000 1 [/CIF]
Ag2TiW
P4/mmm
123
tetragonal
4/mmm
11,125.214046
false
[CIF] data_Sr2CrTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75818406 _cell_length_b 5.75818406 _cell_length_c 2.92723749 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CrTc _chemical_formula_sum 'Sr2 Cr1 Tc1' _cell_volume 97.05748748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 0.00000000 2.87909203 1.46361874 1 Sr Sr2 1 2.87909203 0.00000000 1.46361874 1 Tc Tc3 1 2.87909203 2.87909203 0.00000000 1 [/CIF]
CrSr2Tc
P4/mmm
123
tetragonal
4/mmm
5,579.90985
false
[CIF] data_AgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17889888 _cell_length_b 5.17889888 _cell_length_c 8.66252418 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPb _chemical_formula_sum 'Ag4 Pb4' _cell_volume 201.21018204 _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 Ag Ag0 1 2.58944944 1.49501933 0.72234606 1 Ag Ag1 1 0.00000000 2.99003866 5.05360815 1 Ag Ag2 1 -0.00000000 2.99003866 7.94017812 1 Ag Ag3 1 2.58944944 1.49501933 3.60891603 1 Pb Pb4 1 0.00000000 0.00000000 2.16563105 1 Pb Pb5 1 0.00000000 0.00000000 6.49689314 1 Pb Pb6 1 2.58944944 1.49501933 6.49689314 1 Pb Pb7 1 -0.00000000 2.99003866 2.16563105 1 [/CIF]
Ag4Pb4
P6_3/mmc
194
hexagonal
6/mmm
10,400.727231
false