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_CuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87285027 _cell_length_b 3.87285027 _cell_length_c 3.87285027 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTe _chemical_formula_sum 'Cu1 Te1' _cell_volume 41.07495757 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 2.73851869 2.73851869 2.73851869 1 [/CIF]
CuTe
Fm-3m
225
cubic
m-3m
7,727.467518
false
[CIF] data_FeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54000000 _cell_length_b 2.77000000 _cell_length_c 5.54000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCu _chemical_formula_sum 'Fe4 Cu4' _cell_volume 85.01573200 _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 Cu Cu0 1 4.15500000 1.38500000 4.15500000 1 Cu Cu1 1 0.00000000 0.00000000 2.77000000 1 Cu Cu2 1 1.38500000 1.38500000 1.38500000 1 Cu Cu3 1 2.77000000 0.00000000 2.77000000 1 Fe Fe4 1 2.77000000 0.00000000 0.00000000 1 Fe Fe5 1 1.38500000 1.38500000 4.15500000 1 Fe Fe6 1 4.15500000 1.38500000 1.38500000 1 Fe Fe7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu4Fe4
Pmma
51
orthorhombic
mmm
9,327.846272
false
[CIF] data_CoAgO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91701340 _cell_length_b 2.91701340 _cell_length_c 24.77659329 _cell_angle_alpha 90.29525579 _cell_angle_beta 90.29525579 _cell_angle_gamma 60.15262257 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAgO2 _chemical_formula_sum 'Co4 Ag4 O8' _cell_volume 182.85516545 _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 1.65682297 0.00000000 6.20704270 1 Ag Ag1 1 3.23648965 0.00000000 18.64028584 1 Ag Ag2 1 -0.06443914 0.00000000 12.37150275 1 Ag Ag3 1 -0.14339659 0.00000000 24.72122359 1 Co Co4 1 3.31053373 -0.00000000 9.28926354 1 Co Co5 1 1.55563042 -0.00000000 21.68140092 1 Co Co6 1 1.59254174 0.00000000 15.50337308 1 Co Co7 1 3.34737408 0.00000000 3.07840533 1 O O8 1 4.93643787 -0.00000000 10.28974192 1 O O9 1 -0.12768866 -0.00000000 22.62288103 1 O O10 1 -0.06353688 0.00000000 14.44943481 1 O O11 1 5.03421323 -0.00000000 2.02737498 1 O O12 1 1.68524718 0.00000000 8.28879598 1 O O13 1 3.23842040 -0.00000000 20.73972026 1 O O14 1 3.24839837 -0.00000000 16.55613169 1 O O15 1 1.66045040 -0.00000000 4.13074441 1 [/CIF]
Ag4Co4O8
Cm
8
monoclinic
m
7,221.355356
false
[CIF] data_KCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39276549 _cell_length_b 6.39276549 _cell_length_c 6.39276549 _cell_angle_alpha 37.97548393 _cell_angle_beta 37.97548393 _cell_angle_gamma 37.97548393 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu2Si _chemical_formula_sum 'K1 Cu2 Si1' _cell_volume 88.78905132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.05996767 1 Cu Cu1 1 -0.00000000 0.00000000 5.71335145 1 K K2 1 -0.00000000 -0.00000000 8.88665956 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2KSi
R-3m
166
trigonal
-3m
3,633.35964
false
[CIF] data_BeGeAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48006628 _cell_length_b 5.48006628 _cell_length_c 5.48006628 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGeAu4 _chemical_formula_sum 'Be1 Ge1 Au4' _cell_volume 116.37037570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.90368374 2.90368374 4.84630032 1 Au Au1 1 2.90368374 4.84630032 2.90368374 1 Au Au2 1 4.84630032 2.90368374 2.90368374 1 Au Au3 1 4.84630032 4.84630032 4.84630032 1 Be Be4 1 0.00000000 0.00000000 0.00000000 1 Ge Ge5 1 1.93749602 1.93749602 1.93749602 1 [/CIF]
Au4BeGe
F-43m
216
cubic
-43m
12,407.533789
false
[CIF] data_Ca2Cr2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80427386 _cell_length_b 5.80427386 _cell_length_c 5.80427386 _cell_angle_alpha 119.02614177 _cell_angle_beta 119.02614177 _cell_angle_gamma 91.69521419 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Cr2Sn _chemical_formula_sum 'Ca2 Cr2 Sn1' _cell_volume 140.23912744 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94475067 2.02153915 1 Ca Ca1 1 2.94475067 -0.00000000 2.02153914 1 Cr Cr2 1 0.00000000 -0.00000000 5.37696736 1 Cr Cr3 1 0.00000000 -0.00000000 2.70918922 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2Cr2Sn
I4/mmm
139
tetragonal
4/mmm
3,586.073886
false
[CIF] data_TaZnGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59166574 _cell_length_b 4.59166574 _cell_length_c 4.59166574 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnGe2 _chemical_formula_sum 'Ta1 Zn1 Ge2' _cell_volume 68.45352185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.87019697 4.87019697 4.87019697 1 Ge Ge1 1 1.62339899 1.62339899 1.62339899 1 Ta Ta2 1 3.24679798 3.24679798 3.24679798 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2TaZn
Fm-3m
225
cubic
m-3m
9,499.58696
false
[CIF] data_LiNbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43722100 _cell_length_b 3.43722100 _cell_length_c 3.43722100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbO3 _chemical_formula_sum 'Li1 Nb1 O3' _cell_volume 40.60900696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.71861050 1.71861050 1.71861050 1 O O2 1 0.00000000 0.00000000 1.71861050 1 O O3 1 0.00000000 1.71861050 0.00000000 1 O O4 1 1.71861050 0.00000000 0.00000000 1 [/CIF]
LiNbO3
Pm-3m
221
cubic
m-3m
6,045.539643
false
[CIF] data_Ti2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66576725 _cell_length_b 4.66576725 _cell_length_c 5.25117686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Mo _chemical_formula_sum 'Ti4 Mo2' _cell_volume 98.99959520 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 2.69378198 3.93838264 1 Mo Mo1 1 2.33288363 1.34689099 1.31279422 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 2.62558843 1 Ti Ti4 1 0.00000000 2.69378198 1.31279422 1 Ti Ti5 1 2.33288363 1.34689099 3.93838264 1 [/CIF]
Mo2Ti4
P6_3/mmc
194
hexagonal
6/mmm
6,430.639769
false
[CIF] data_Ca2MnAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38519215 _cell_length_b 3.38519215 _cell_length_c 7.96783678 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MnAl _chemical_formula_sum 'Ca2 Mn1 Al1' _cell_volume 91.30763189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 1.69259607 1.69259607 2.12695953 1 Ca Ca2 1 1.69259607 1.69259607 5.84087725 1 Mn Mn3 1 0.00000000 0.00000000 3.98391839 1 [/CIF]
AlCa2Mn
P4/mmm
123
tetragonal
4/mmm
2,947.539354
false
[CIF] data_Ta3Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27443894 _cell_length_b 4.27443894 _cell_length_c 4.27443894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Bi _chemical_formula_sum 'Ta3 Bi1' _cell_volume 78.09753993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 2.13721947 0.00000000 2.13721947 1 Ta Ta2 1 2.13721947 2.13721947 0.00000000 1 Ta Ta3 1 0.00000000 2.13721947 2.13721947 1 [/CIF]
BiTa3
Pm-3m
221
cubic
m-3m
15,987.135128
false
[CIF] data_SrHfCoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74783061 _cell_length_b 4.74783061 _cell_length_c 4.74783061 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfCoTc _chemical_formula_sum 'Sr1 Hf1 Co1 Tc1' _cell_volume 75.67817499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 5.03583483 5.03583483 5.03583483 1 Sr Sr2 1 1.67861161 1.67861161 1.67861161 1 Tc Tc3 1 3.35722322 3.35722322 3.35722322 1 [/CIF]
CoHfSrTc
F-43m
216
cubic
-43m
9,302.345528
false
[CIF] data_Lu2PdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84954619 _cell_length_b 4.84954619 _cell_length_c 4.84954619 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2PdPt _chemical_formula_sum 'Lu2 Pd1 Pt1' _cell_volume 80.64701621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.14372050 5.14372050 5.14372050 1 Lu Lu1 1 1.71457350 1.71457350 1.71457350 1 Pd Pd2 1 -0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 3.42914700 3.42914700 3.42914700 1 [/CIF]
Lu2PdPt
Fm-3m
225
cubic
m-3m
13,413.237526
false
[CIF] data_Be2NiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61987875 _cell_length_b 2.61987875 _cell_length_c 4.59828356 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NiB _chemical_formula_sum 'Be2 Ni1 B1' _cell_volume 31.56153622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.49293105 1 Be Be1 1 1.30993937 1.30993937 4.53100010 1 Be Be2 1 0.00000000 0.00000000 1.07885154 1 Ni Ni3 1 1.30993937 1.30993937 2.39292616 1 [/CIF]
BBe2Ni
P4mm
99
tetragonal
4mm
4,605.128568
false
[CIF] data_BeFeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.00434442 _cell_length_b 8.00434442 _cell_length_c 8.00434442 _cell_angle_alpha 19.11638708 _cell_angle_beta 19.11638708 _cell_angle_gamma 19.11638708 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFeRh2 _chemical_formula_sum 'Be1 Fe1 Rh2' _cell_volume 48.07378996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 -0.00000000 0.00000000 11.78375143 1 Rh Rh2 1 -0.00000000 -0.00000000 17.57327890 1 Rh Rh3 1 0.00000000 0.00000000 5.99422396 1 [/CIF]
BeFeRh2
R-3m
166
trigonal
-3m
9,349.275153
false
[CIF] data_FeHgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35134594 _cell_length_b 4.35134594 _cell_length_c 4.35134594 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeHgIr _chemical_formula_sum 'Fe1 Hg1 Ir1' _cell_volume 58.25803568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.61529933 4.61529933 4.61529933 1 Ir Ir2 1 3.07686622 3.07686622 3.07686622 1 [/CIF]
FeHgIr
F-43m
216
cubic
-43m
12,788.00709
false
[CIF] data_MnFeSnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90035974 _cell_length_b 4.90035974 _cell_length_c 4.90035974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeSnBi _chemical_formula_sum 'Mn1 Fe1 Sn1 Bi1' _cell_volume 83.20872947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.46507760 3.46507760 3.46507760 1 Fe Fe1 1 1.73253880 1.73253880 1.73253880 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 5.19761640 5.19761640 5.19761640 1 [/CIF]
BiFeMnSn
F-43m
216
cubic
-43m
8,750.311292
false
[CIF] data_CaHfNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50987617 _cell_length_b 4.50987617 _cell_length_c 4.50987617 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfNi2 _chemical_formula_sum 'Ca1 Hf1 Ni2' _cell_volume 64.86028512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.78344603 4.78344603 4.78344603 1 Ni Ni2 1 3.18896402 3.18896402 3.18896402 1 Ni Ni3 1 1.59448201 1.59448201 1.59448201 1 [/CIF]
CaHfNi2
F-43m
216
cubic
-43m
8,601.042517
false
[CIF] data_ReAuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68499343 _cell_length_b 4.50431743 _cell_length_c 6.21618655 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.00638808 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAuSe2 _chemical_formula_sum 'Re1 Au1 Se2' _cell_volume 74.25206066 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.48655517 0.00000000 3.06977326 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 0.00663697 2.25215872 1.41495298 1 Se Se3 1 1.70524612 2.25215872 4.72459354 1 [/CIF]
AuReSe2
P2/m
10
monoclinic
2/m
12,100.76868
false
[CIF] data_Y2NiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62457291 _cell_length_b 5.62457291 _cell_length_c 5.62457291 _cell_angle_alpha 137.81734122 _cell_angle_beta 137.81734122 _cell_angle_gamma 61.18286437 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2NiOs _chemical_formula_sum 'Y2 Ni1 Os1' _cell_volume 79.34081030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 2.02403417 -0.00000000 2.42086719 1 Y Y2 1 0.00000000 -0.00000000 4.84173438 1 Y Y3 1 -0.00000000 2.02403417 2.42086719 1 [/CIF]
NiOsY2
I-4m2
119
tetragonal
-42m
8,931.220919
false
[CIF] data_Zn2FePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40600415 _cell_length_b 4.37001494 _cell_length_c 4.84754208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2FePb _chemical_formula_sum 'Zn2 Fe1 Pb1' _cell_volume 72.15221736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.70300207 2.18500747 0.00000000 1 Zn Zn2 1 1.70300207 0.00000000 2.42377104 1 Zn Zn3 1 0.00000000 2.18500747 2.42377104 1 [/CIF]
FePbZn2
Pmmm
47
orthorhombic
mmm
9,063.180745
false
[CIF] data_TaV2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07217995 _cell_length_b 5.07217995 _cell_length_c 2.87631279 _cell_angle_alpha 97.77916260 _cell_angle_beta 97.77916260 _cell_angle_gamma 120.46089638 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaV2Cl _chemical_formula_sum 'Ta1 V2 Cl1' _cell_volume 61.36932667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 2.51840198 0.00000000 0.00000000 1 V V2 1 0.86714254 -2.20140074 1.38368493 1 V V3 1 0.86714254 2.20140075 1.38368493 1 [/CIF]
ClTaV2
C2/m
12
monoclinic
2/m
8,612.165811
false
[CIF] data_Ta2ReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20049178 _cell_length_b 3.20049178 _cell_length_c 6.41092264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ReOs _chemical_formula_sum 'Ta2 Re1 Os1' _cell_volume 65.66802707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60024589 1.60024589 3.14418873 1 Re Re1 1 0.00000000 0.00000000 4.87740225 1 Ta Ta2 1 1.60024589 1.60024589 6.33156343 1 Ta Ta3 1 0.00000000 0.00000000 1.67415218 1 [/CIF]
OsReTa2
P4mm
99
tetragonal
4mm
18,670.130691
false
[CIF] data_Re2TePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72555880 _cell_length_b 4.72555880 _cell_length_c 3.32873128 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TePb _chemical_formula_sum 'Re2 Te1 Pb1' _cell_volume 74.33358538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.36277940 2.36277940 0.00000000 1 Re Re1 1 2.36277940 0.00000000 1.66436564 1 Re Re2 1 0.00000000 2.36277940 1.66436564 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbRe2Te
P4/mmm
123
tetragonal
4/mmm
15,798.51247
false
[CIF] data_YCoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51111811 _cell_length_b 3.51111811 _cell_length_c 6.63001824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.47275394 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCoAs2 _chemical_formula_sum 'Y1 Co1 As2' _cell_volume 76.57206952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00201183 0.00000000 5.28863613 1 As As1 1 2.00201183 0.00000000 1.34138211 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 3.31500912 1 [/CIF]
As2CoY
Cmmm
65
orthorhombic
mmm
6,455.526151
false
[CIF] data_VRhSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74246823 _cell_length_b 7.74246823 _cell_length_c 7.74246823 _cell_angle_alpha 23.42937774 _cell_angle_beta 23.42937774 _cell_angle_gamma 23.42937774 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRhSe2 _chemical_formula_sum 'V1 Rh1 Se2' _cell_volume 64.43304948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.29001160 1 Se Se1 1 -0.00000000 -0.00000000 16.80457102 1 Se Se2 1 -0.00000000 0.00000000 5.77545217 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhSe2V
R-3m
166
trigonal
-3m
8,034.716453
false
[CIF] data_LiTl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.44481932 _cell_length_b 10.44481932 _cell_length_c 10.44481932 _cell_angle_alpha 154.13310116 _cell_angle_beta 154.13310116 _cell_angle_gamma 36.90617353 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTl3 _chemical_formula_sum 'Li2 Tl6' _cell_volume 216.58713561 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 12.38246803 1 Li Li1 1 0.00000000 -0.00000000 7.43309105 1 Tl Tl2 1 0.00000000 2.33775054 -0.00000000 1 Tl Tl3 1 2.33775054 0.00000000 -0.00000000 1 Tl Tl4 1 2.33775054 -0.00000000 4.95388977 1 Tl Tl5 1 -0.00000000 2.33775054 4.95388977 1 Tl Tl6 1 0.00000000 0.00000000 17.33128165 1 Tl Tl7 1 0.00000000 -0.00000000 2.48427743 1 [/CIF]
Li2Tl6
I4/mmm
139
tetragonal
4/mmm
9,508.276301
false
[CIF] data_Sr2LiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97810879 _cell_length_b 5.97810879 _cell_length_c 3.83608788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2LiCl _chemical_formula_sum 'Sr2 Li1 Cl1' _cell_volume 137.09328277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98905440 2.98905440 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 0.00000000 2.98905440 1.91804394 1 Sr Sr3 1 2.98905440 0.00000000 1.91804394 1 [/CIF]
ClLiSr2
P4/mmm
123
tetragonal
4/mmm
2,636.086553
false
[CIF] data_NaIn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03645226 _cell_length_b 6.03645226 _cell_length_c 5.73201595 _cell_angle_alpha 99.50994982 _cell_angle_beta 99.50994982 _cell_angle_gamma 33.82129431 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaIn2Bi _chemical_formula_sum 'Na1 In2 Bi1' _cell_volume 114.51006059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.28051417 0.00000000 2.82295178 1 In In1 1 8.43362382 0.00000000 1.40927275 1 In In2 1 2.12740453 0.00000000 4.23663081 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIn2Na
C2/m
12
monoclinic
2/m
6,693.866666
false
[CIF] data_K2TeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58510852 _cell_length_b 6.38788382 _cell_length_c 6.38788382 _cell_angle_alpha 50.23025863 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TeRh _chemical_formula_sum 'K2 Te1 Rh1' _cell_volume 143.80571491 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.25592011 1 K K1 1 2.29255426 0.00000000 4.57458111 1 Rh Rh2 1 0.00000000 0.00000000 9.19322067 1 Te Te3 1 2.29255426 -0.00000000 8.12102290 1 [/CIF]
K2RhTe
Amm2
38
orthorhombic
mm2
3,564.614245
false
[CIF] data_Sr2FeCoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48396381 _cell_length_b 5.48396381 _cell_length_c 5.48396381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2FeCoO6 _chemical_formula_sum 'Sr2 Fe1 Co1 O6' _cell_volume 116.61884699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.81662200 5.81662200 5.81662200 1 Sr Sr1 1 1.93887400 1.93887400 1.93887400 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Co Co3 1 3.87774800 3.87774800 3.87774800 1 O O4 1 3.87774800 3.87774800 5.77131439 1 O O5 1 3.87774800 1.98418161 3.87774800 1 O O6 1 1.98418161 3.87774800 3.87774800 1 O O7 1 3.87774800 3.87774800 1.98418161 1 O O8 1 3.87774800 5.77131439 3.87774800 1 O O9 1 5.77131439 3.87774800 3.87774800 1 [/CIF]
CoFeO6Sr2
Fm-3m
225
cubic
m-3m
5,496.472756
false
[CIF] data_Tl5Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56226486 _cell_length_b 6.56226486 _cell_length_c 8.13970208 _cell_angle_alpha 102.97383450 _cell_angle_beta 102.97383450 _cell_angle_gamma 31.43195684 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl5Ga _chemical_formula_sum 'Tl5 Ga1' _cell_volume 177.75159306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.73478856 -0.00000000 7.91480563 1 Tl Tl1 1 7.76731588 -0.00000000 2.58301323 1 Tl Tl2 1 2.98513627 -0.00000000 5.36457025 1 Tl Tl3 1 4.44954899 -0.00000000 2.10697392 1 Tl Tl4 1 -0.47209808 -0.00000000 4.88344809 1 Tl Tl5 1 7.26548512 -0.00000000 7.48891192 1 [/CIF]
GaTl5
Cm
8
monoclinic
m
10,197.996008
false
[CIF] data_LiY2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00961338 _cell_length_b 5.00961338 _cell_length_c 5.00961338 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiY2As _chemical_formula_sum 'Li1 Y2 As1' _cell_volume 88.89915481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 3.54233159 3.54233159 3.54233159 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.77116580 1.77116580 1.77116579 1 Y Y3 1 5.31349738 5.31349738 5.31349738 1 [/CIF]
AsLiY2
Fm-3m
225
cubic
m-3m
4,850.432163
false
[CIF] data_KGaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69633974 _cell_length_b 6.69633974 _cell_length_c 6.69633974 _cell_angle_alpha 149.65128787 _cell_angle_beta 149.65128787 _cell_angle_gamma 43.45351617 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGaTc _chemical_formula_sum 'K1 Ga1 Tc1' _cell_volume 76.44810914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.90084171 1 K K1 1 0.00000000 -0.00000000 4.11835017 1 Tc Tc2 1 0.00000000 -0.00000000 7.42206886 1 [/CIF]
GaKTc
I4mm
107
tetragonal
4mm
4,512.075352
false
[CIF] data_K2HfPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94846176 _cell_length_b 6.94846176 _cell_length_c 5.62166882 _cell_angle_alpha 101.18157505 _cell_angle_beta 101.18157505 _cell_angle_gamma 28.55605129 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HfPb _chemical_formula_sum 'K2 Hf1 Pb1' _cell_volume 127.11993534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 9.96273665 -0.00000000 1.42759664 1 K K2 1 2.38002097 0.00000000 4.08037674 1 Pb Pb3 1 6.17137881 -0.00000000 2.75398669 1 [/CIF]
HfK2Pb
C2/m
12
monoclinic
2/m
6,059.64611
false
[CIF] data_TaPd2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97201996 _cell_length_b 2.97201996 _cell_length_c 7.67633483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPd2Cl _chemical_formula_sum 'Ta1 Pd2 Cl1' _cell_volume 67.80431821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 1.48600998 1.48600998 1.99503690 1 Pd Pd2 1 1.48600998 1.48600998 5.68129793 1 Ta Ta3 1 0.00000000 0.00000000 3.83816742 1 [/CIF]
ClPd2Ta
P4/mmm
123
tetragonal
4/mmm
10,512.180774
false
[CIF] data_Li2ScTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09554110 _cell_length_b 6.09554110 _cell_length_c 6.09554110 _cell_angle_alpha 143.46057898 _cell_angle_beta 137.81554164 _cell_angle_gamma 57.01399326 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ScTe _chemical_formula_sum 'Li2 Sc1 Te1' _cell_volume 89.81251166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19360403 2.49917955 1 Li Li1 1 1.91089421 0.00000000 2.85733107 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 5.35651062 1 [/CIF]
Li2ScTe
Immm
71
orthorhombic
mmm
3,447.051477
false
[CIF] data_CrFeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67666382 _cell_length_b 2.67666382 _cell_length_c 7.32626425 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFeRh2 _chemical_formula_sum 'Cr1 Fe1 Rh2' _cell_volume 52.48923418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 0.00000000 3.66313213 1 Rh Rh2 1 1.33833191 1.33833191 5.55242138 1 Rh Rh3 1 1.33833191 1.33833191 1.77384287 1 [/CIF]
CrFeRh2
P4/mmm
123
tetragonal
4/mmm
9,922.636012
false
[CIF] data_GeMoSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65027724 _cell_length_b 5.65027724 _cell_length_c 5.65027724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeMoSe4 _chemical_formula_sum 'Ge1 Mo1 Se4' _cell_volume 127.55405648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.99767468 1.99767468 1.99767468 1 Se Se2 1 3.00341843 3.00341843 4.98728027 1 Se Se3 1 3.00341843 4.98728027 3.00341843 1 Se Se4 1 4.98728027 3.00341843 3.00341843 1 Se Se5 1 4.98728027 4.98728027 4.98728027 1 [/CIF]
GeMoSe4
F-43m
216
cubic
-43m
6,306.593201
false
[CIF] data_LiTl2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35656219 _cell_length_b 3.35656219 _cell_length_c 7.14184765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTl2B _chemical_formula_sum 'Li1 Tl2 B1' _cell_volume 80.46369608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57092383 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.67828110 1.67828110 1.97834172 1 Tl Tl3 1 1.67828110 1.67828110 5.16350593 1 [/CIF]
BLiTl2
P4/mmm
123
tetragonal
4/mmm
8,802.11614
false
[CIF] data_CrGePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20597259 _cell_length_b 4.20597259 _cell_length_c 4.20597259 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGePd _chemical_formula_sum 'Cr1 Ge1 Pd1' _cell_volume 52.61194004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 2.97407174 2.97407174 2.97407174 1 Pd Pd2 1 4.46110761 4.46110761 4.46110761 1 [/CIF]
CrGePd
F-43m
216
cubic
-43m
7,292.597086
false
[CIF] data_HfNbFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36855236 _cell_length_b 4.36855236 _cell_length_c 4.36855236 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbFe2 _chemical_formula_sum 'Hf1 Nb1 Fe2' _cell_volume 58.95187726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.54451650 1.54451650 1.54451650 1 Fe Fe1 1 4.63354950 4.63354950 4.63354950 1 Hf Hf2 1 3.08903300 3.08903300 3.08903300 1 Nb Nb3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Fe2HfNb
Fm-3m
225
cubic
m-3m
10,790.664003
false
[CIF] data_Ba2MnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32403857 _cell_length_b 5.32403857 _cell_length_c 4.18547903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MnRh _chemical_formula_sum 'Ba2 Mn1 Rh1' _cell_volume 118.63902161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66201929 0.00000000 2.09273951 1 Ba Ba1 1 0.00000000 2.66201929 2.09273951 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 2.66201929 2.66201929 0.00000000 1 [/CIF]
Ba2MnRh
P4/mmm
123
tetragonal
4/mmm
6,053.481055
false
[CIF] data_SnGe4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78444403 _cell_length_b 5.78444403 _cell_length_c 5.78444403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGe4Pb _chemical_formula_sum 'Sn1 Ge4 Pb1' _cell_volume 136.85790013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 5.11363091 5.11363091 3.06680829 1 Ge Ge1 1 5.11363091 3.06680829 5.11363091 1 Ge Ge2 1 3.06680829 5.11363091 5.11363091 1 Ge Ge3 1 3.06680829 3.06680829 3.06680829 1 Pb Pb4 1 6.13532940 6.13532940 6.13532940 1 Sn Sn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge4PbSn
F-43m
216
cubic
-43m
7,479.820437
false
[CIF] data_LaBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80246564 _cell_length_b 4.80246564 _cell_length_c 3.79345189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBiRu _chemical_formula_sum 'La1 Bi1 Ru1' _cell_volume 75.76938184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40123284 1.38635240 0.00000000 1 La La1 1 0.00000002 2.77270481 1.89672595 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiLaRu
P-6m2
187
hexagonal
-6m2
9,839.182303
false
[CIF] data_Hf2ScP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36841202 _cell_length_b 3.36841202 _cell_length_c 6.90756666 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ScP _chemical_formula_sum 'Hf2 Sc1 P1' _cell_volume 78.37462947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07268805 1 Hf Hf1 1 1.68420601 1.68420601 2.01972179 1 P P2 1 0.00000000 0.00000000 3.34897309 1 Sc Sc3 1 1.68420601 1.68420601 4.91996706 1 [/CIF]
Hf2PSc
P4mm
99
tetragonal
4mm
9,172.438301
false
[CIF] data_Ni2PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70314434 _cell_length_b 2.70314434 _cell_length_c 7.09710220 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2PdRh _chemical_formula_sum 'Ni2 Pd1 Rh1' _cell_volume 51.85845000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35157217 1.35157217 1.71782981 1 Ni Ni1 1 1.35157217 1.35157217 5.37927239 1 Pd Pd2 1 0.00000000 0.00000000 3.54855110 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2PdRh
P4/mmm
123
tetragonal
4/mmm
10,461.526284
false
[CIF] data_Be2CdP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76974749 _cell_length_b 3.40962286 _cell_length_c 6.22631140 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.58538567 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2CdP _chemical_formula_sum 'Be2 Cd1 P1' _cell_volume 58.41204509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.49871368 1.70481143 1.30449555 1 Be Be1 1 -0.44302304 1.70481143 4.88073496 1 Cd Cd2 1 1.02784532 0.00000000 3.09261526 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2CdP
P2/m
10
monoclinic
2/m
4,588.542637
false
[CIF] data_OsPtPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22391953 _cell_length_b 3.22391953 _cell_length_c 8.73801366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPtPb2 _chemical_formula_sum 'Os1 Pt1 Pb2' _cell_volume 90.81991803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.14551631 1 Pb Pb1 1 1.61195976 1.61195976 8.19498692 1 Pb Pb2 1 0.00000000 0.00000000 2.74542491 1 Pt Pt3 1 1.61195976 1.61195976 4.75910601 1 [/CIF]
OsPb2Pt
P4mm
99
tetragonal
4mm
14,621.862339
false
[CIF] data_La2HfAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36851056 _cell_length_b 5.36851056 _cell_length_c 5.36851056 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HfAs _chemical_formula_sum 'La2 Hf1 As1' _cell_volume 109.40733458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.79611022 3.79611022 3.79611022 1 La La2 1 1.89805511 1.89805511 1.89805511 1 La La3 1 5.69416533 5.69416533 5.69416533 1 [/CIF]
AsHfLa2
Fm-3m
225
cubic
m-3m
8,062.674995
false
[CIF] data_TcAu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48630614 _cell_length_b 5.48630614 _cell_length_c 2.80592734 _cell_angle_alpha 90.42073513 _cell_angle_beta 90.42073513 _cell_angle_gamma 122.00717770 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAu2Cl _chemical_formula_sum 'Tc1 Au2 Cl1' _cell_volume 71.60991264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.30850439 -2.39929903 1.40280269 1 Au Au1 1 1.30850439 2.39929903 1.40280269 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 2.65951343 0.00000000 0.00000000 1 [/CIF]
Au2ClTc
C2/m
12
monoclinic
2/m
12,250.399889
false
[CIF] data_MgInCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01227481 _cell_length_b 5.01227481 _cell_length_c 5.01227481 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInCuPb _chemical_formula_sum 'Mg1 In1 Cu1 Pb1' _cell_volume 89.04091737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.54421351 3.54421351 3.54421351 1 In In1 1 1.77210676 1.77210676 1.77210675 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 5.31632026 5.31632026 5.31632026 1 [/CIF]
CuInMgPb
F-43m
216
cubic
-43m
7,643.716022
false
[CIF] data_B2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91811666 _cell_length_b 3.91811666 _cell_length_c 2.80319954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2MoPd _chemical_formula_sum 'B2 Mo1 Pd1' _cell_volume 43.03370503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.95905833 0.00000000 1.40159977 1 B B1 1 0.00000000 1.95905833 1.40159977 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.95905833 1.95905833 0.00000000 1 [/CIF]
B2MoPd
P4/mmm
123
tetragonal
4/mmm
8,643.552111
false
[CIF] data_TlBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39877082 _cell_length_b 3.39877082 _cell_length_c 7.25542894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBiMo _chemical_formula_sum 'Tl1 Bi1 Mo1' _cell_volume 72.58342981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69938543 0.98114061 0.32973356 1 Mo Mo1 1 0.00000000 0.00000000 2.36113555 1 Tl Tl2 1 0.00000002 1.96228124 4.56455983 1 [/CIF]
BiMoTl
P3m1
156
trigonal
3m
11,652.1347
false
[CIF] data_Cr2TeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76597117 _cell_length_b 4.76597117 _cell_length_c 4.76597117 _cell_angle_alpha 131.96834135 _cell_angle_beta 131.96834135 _cell_angle_gamma 70.27903289 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2TeRu _chemical_formula_sum 'Cr2 Te1 Ru1' _cell_volume 58.65455178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.93969792 0.00000000 1.94869348 1 Ru Ru2 1 -0.00000000 0.00000000 3.89738697 1 Te Te3 1 0.00000000 1.93969792 1.94869349 1 [/CIF]
Cr2RuTe
I-4m2
119
tetragonal
-42m
9,417.829688
false
[CIF] data_Li2TlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07178265 _cell_length_b 5.07178265 _cell_length_c 3.55405870 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TlBi _chemical_formula_sum 'Li2 Tl1 Bi1' _cell_volume 91.42097819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53589133 2.53589133 0.00000000 1 Li Li1 1 2.53589133 0.00000000 1.77702935 1 Li Li2 1 0.00000000 2.53589133 1.77702935 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiLi2Tl
P4/mmm
123
tetragonal
4/mmm
7,760.343303
false
[CIF] data_TiCd2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25420654 _cell_length_b 4.46756148 _cell_length_c 4.83943548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCd2Ir _chemical_formula_sum 'Ti1 Cd2 Ir1' _cell_volume 70.35749289 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23378074 2.41971774 1 Cd Cd1 1 1.62710327 0.00000000 2.41971774 1 Ir Ir2 1 1.62710327 2.23378074 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2IrTi
Pmmm
47
orthorhombic
mmm
10,972.457142
false
[CIF] data_ZnNi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47365700 _cell_length_b 8.47365700 _cell_length_c 8.47365700 _cell_angle_alpha 18.63029570 _cell_angle_beta 18.63029570 _cell_angle_gamma 18.63029570 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNi2Au _chemical_formula_sum 'Zn1 Ni2 Au1' _cell_volume 54.24831688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.48650056 1 Ni Ni1 1 -0.00000000 0.00000000 6.38065673 1 Ni Ni2 1 0.00000000 -0.00000000 18.59234440 1 Zn Zn3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
AuNi2Zn
R-3m
166
trigonal
-3m
11,623.625033
false
[CIF] data_MgBeCoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20954304 _cell_length_b 4.20954304 _cell_length_c 4.20954304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeCoPd _chemical_formula_sum 'Mg1 Be1 Co1 Pd1' _cell_volume 52.74604067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 1.48829822 1.48829822 1.48829822 1 Mg Mg2 1 4.46489465 4.46489465 4.46489465 1 Pd Pd3 1 2.97659643 2.97659643 2.97659643 1 [/CIF]
BeCoMgPd
F-43m
216
cubic
-43m
6,254.496417
false
[CIF] data_In2SnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56240681 _cell_length_b 5.56240681 _cell_length_c 5.56240681 _cell_angle_alpha 135.17966025 _cell_angle_beta 135.17966025 _cell_angle_gamma 65.25117588 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2SnMo _chemical_formula_sum 'In2 Sn1 Mo1' _cell_volume 84.26628353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12058124 2.34236205 1 In In1 1 2.12058124 -0.00000000 2.34236205 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 4.68472410 1 [/CIF]
In2MoSn
I4/mmm
139
tetragonal
4/mmm
8,755.429095
false
[CIF] data_Zr2OsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61323980 _cell_length_b 5.61323980 _cell_length_c 5.61323980 _cell_angle_alpha 146.14953228 _cell_angle_beta 131.12275947 _cell_angle_gamma 60.77971509 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2OsW _chemical_formula_sum 'Zr2 Os1 W1' _cell_volume 73.50109707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32229937 0.09731585 1 W W1 1 0.00000000 0.00000000 7.12860988 1 Zr Zr2 1 0.00000000 2.32229937 4.78706109 1 Zr Zr3 1 0.00000000 0.00000000 2.51300958 1 [/CIF]
OsWZr2
Imm2
44
orthorhombic
mm2
12,573.035746
false
[CIF] data_Li2YBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28402808 _cell_length_b 6.28402808 _cell_length_c 6.28402808 _cell_angle_alpha 149.40969241 _cell_angle_beta 130.45171445 _cell_angle_gamma 59.36047179 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2YBr _chemical_formula_sum 'Li2 Y1 Br1' _cell_volume 95.32657966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 -0.00000000 2.63327399 3.05735369 1 Li Li2 1 1.65767297 0.00000000 2.40222480 1 Y Y3 1 -0.00000000 0.00000000 5.45957849 1 [/CIF]
BrLi2Y
Immm
71
orthorhombic
mmm
3,182.396296
false
[CIF] data_NiGeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69129240 _cell_length_b 3.69129240 _cell_length_c 6.43754848 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGeP _chemical_formula_sum 'Ni2 Ge2 P2' _cell_volume 87.71571538 _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 Ge Ge0 1 1.84564620 0.00000000 3.91934354 1 Ge Ge1 1 0.00000000 1.84564620 2.51820494 1 Ni Ni2 1 1.84564620 0.00000000 1.43249507 1 Ni Ni3 1 0.00000000 1.84564620 5.00505341 1 P P4 1 0.00000000 0.00000000 0.00000000 1 P P5 1 1.84564620 1.84564620 0.00000000 1 [/CIF]
Ge2Ni2P2
P4/nmm
129
tetragonal
4/mmm
6,145.247339
false
[CIF] data_Sc2GaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89687647 _cell_length_b 8.89687647 _cell_length_c 8.89687647 _cell_angle_alpha 21.02593410 _cell_angle_beta 21.02593410 _cell_angle_gamma 21.02593410 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2GaRh _chemical_formula_sum 'Sc2 Ga1 Rh1' _cell_volume 79.39079896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.33694619 1 Rh Rh1 1 0.00000000 0.00000000 6.36216330 1 Sc Sc2 1 -0.00000000 -0.00000000 25.71936957 1 Sc Sc3 1 -0.00000000 0.00000000 19.81035857 1 [/CIF]
GaRhSc2
R3m
160
trigonal
3m
5,491.297104
false
[CIF] data_TiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93233424 _cell_length_b 4.93233424 _cell_length_c 4.93233424 _cell_angle_alpha 141.26613537 _cell_angle_beta 141.26613537 _cell_angle_gamma 55.93580320 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPd2 _chemical_formula_sum 'Ti1 Pd2' _cell_volume 46.61809192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 -0.00000000 2.98540995 1 Pd Pd1 1 0.00000000 -0.00000000 5.72716847 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2Ti
I4/mmm
139
tetragonal
4/mmm
9,286.398061
false
[CIF] data_KMgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79905677 _cell_length_b 2.79905677 _cell_length_c 9.26401112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgIr2 _chemical_formula_sum 'K1 Mg1 Ir2' _cell_volume 72.58092210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39952839 1.39952839 1.93653795 1 Ir Ir1 1 1.39952839 1.39952839 7.32747317 1 K K2 1 0.00000000 0.00000000 4.63200556 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2KMg
P4/mmm
123
tetragonal
4/mmm
10,245.823704
false
[CIF] data_HfInFeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69712849 _cell_length_b 4.69712849 _cell_length_c 4.69712849 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfInFeHg _chemical_formula_sum 'Hf1 In1 Fe1 Hg1' _cell_volume 73.27947085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.32137141 3.32137141 3.32137141 1 Hg Hg2 1 1.66068570 1.66068570 1.66068571 1 In In3 1 4.98205711 4.98205711 4.98205711 1 [/CIF]
FeHfHgIn
F-43m
216
cubic
-43m
12,457.373362
false
[CIF] data_HfNi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44786470 _cell_length_b 4.44786470 _cell_length_c 4.44786470 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNi2Br _chemical_formula_sum 'Hf1 Ni2 Br1' _cell_volume 62.22138952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.14511529 3.14511529 3.14511529 1 Hf Hf1 1 4.71767294 4.71767294 4.71767294 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 1.57255765 1.57255765 1.57255765 1 [/CIF]
BrHfNi2
F-43m
216
cubic
-43m
10,028.684729
false
[CIF] data_K2SrLi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65799166 _cell_length_b 5.65799166 _cell_length_c 6.68250019 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SrLi _chemical_formula_sum 'K2 Sr1 Li1' _cell_volume 213.92600735 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.82899583 0.00000000 3.34125009 1 K K1 1 0.00000000 2.82899583 3.34125009 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 2.82899583 2.82899583 0.00000000 1 [/CIF]
K2LiSr
P4/mmm
123
tetragonal
4/mmm
1,340.981152
false
[CIF] data_NdCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23590337 _cell_length_b 4.23590337 _cell_length_c 4.23590337 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdCo _chemical_formula_sum 'Nd1 Co1' _cell_volume 53.74315231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nd Nd1 1 4.49285400 4.49285400 4.49285400 1 [/CIF]
CoNd
F-43m
216
cubic
-43m
6,277.643461
false
[CIF] data_LaAs2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86501800 _cell_length_b 4.86501800 _cell_length_c 4.86501800 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAs2Rh _chemical_formula_sum 'La1 As2 Rh1' _cell_volume 81.42136092 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16013083 5.16013083 5.16013083 1 As As1 1 1.72004361 1.72004361 1.72004361 1 La La2 1 3.44008722 3.44008722 3.44008722 1 Rh Rh3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
As2LaRh
Fm-3m
225
cubic
m-3m
7,987.548262
false
[CIF] data_BaSbPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80217075 _cell_length_b 3.80217075 _cell_length_c 9.50482115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSbPb2 _chemical_formula_sum 'Ba1 Sb1 Pb2' _cell_volume 137.40646988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90108538 1.90108538 7.01628427 1 Pb Pb1 1 0.00000000 0.00000000 0.21859882 1 Pb Pb2 1 1.90108538 1.90108538 2.39570329 1 Sb Sb3 1 0.00000000 0.00000000 4.62664535 1 [/CIF]
BaPb2Sb
P4mm
99
tetragonal
4mm
8,139.001572
false
[CIF] data_LaCoPdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61751340 _cell_length_b 4.61751340 _cell_length_c 4.61751340 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCoPdRu _chemical_formula_sum 'La1 Co1 Pd1 Ru1' _cell_volume 69.61606902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.63253752 1.63253752 1.63253752 1 Pd Pd2 1 4.89761256 4.89761256 4.89761256 1 Ru Ru3 1 3.26507504 3.26507504 3.26507504 1 [/CIF]
CoLaPdRu
F-43m
216
cubic
-43m
9,668.228794
false
[CIF] data_TaFeIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41400807 _cell_length_b 4.41400807 _cell_length_c 4.41400807 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaFeIrW _chemical_formula_sum 'Ta1 Fe1 Ir1 W1' _cell_volume 60.81131171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.68176256 4.68176256 4.68176256 1 Ta Ta2 1 1.56058752 1.56058752 1.56058752 1 W W3 1 3.12117504 3.12117504 3.12117504 1 [/CIF]
FeIrTaW
F-43m
216
cubic
-43m
16,734.734692
false
[CIF] data_YTa2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63797213 _cell_length_b 5.63797213 _cell_length_c 5.63797213 _cell_angle_alpha 146.15201934 _cell_angle_beta 128.20641184 _cell_angle_gamma 63.31951691 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTa2Tc _chemical_formula_sum 'Y1 Ta2 Tc1' _cell_volume 77.57662717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.46239253 0.06774408 1 Ta Ta1 1 0.00000000 -0.00000000 7.42150508 1 Tc Tc2 1 0.00000000 2.46239253 4.66042069 1 Y Y3 1 0.00000000 -0.00000000 2.24711699 1 [/CIF]
Ta2TcY
Imm2
44
orthorhombic
mm2
11,766.6706
false
[CIF] data_VTeIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48783371 _cell_length_b 4.48783371 _cell_length_c 4.48783371 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTeIrOs _chemical_formula_sum 'V1 Te1 Os1 Ir1' _cell_volume 63.91389295 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.17337765 3.17337765 3.17337765 1 Ir Ir2 1 1.58668882 1.58668882 1.58668882 1 Te Te3 1 4.76006647 4.76006647 4.76006647 1 [/CIF]
IrOsTeV
F-43m
216
cubic
-43m
14,574.973878
false
[CIF] data_KPdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56255568 _cell_length_b 4.56255568 _cell_length_c 4.55472877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPdBr _chemical_formula_sum 'K1 Pd1 Br1' _cell_volume 82.11254403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.63419277 2.27736438 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 2.28127782 1.31709639 2.27736438 1 [/CIF]
BrKPd
P-6m2
187
hexagonal
-6m2
4,558.652278
false
[CIF] data_BaLi4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82354091 _cell_length_b 5.82354091 _cell_length_c 5.82354091 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi4As _chemical_formula_sum 'Ba1 Li4 As1' _cell_volume 139.65175407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 2.05893264 2.05893263 2.05893264 1 Li Li2 1 3.08792073 3.08792073 5.14780981 1 Li Li3 1 3.08792073 5.14780981 3.08792073 1 Li Li4 1 5.14780981 3.08792073 3.08792073 1 Li Li5 1 5.14780981 5.14780981 5.14780981 1 [/CIF]
AsBaLi4
F-43m
216
cubic
-43m
2,853.886809
false
[CIF] data_ZrCd2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76433677 _cell_length_b 4.76433677 _cell_length_c 4.76433677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCd2Cu _chemical_formula_sum 'Zr1 Cd2 Cu1' _cell_volume 76.47022354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68444742 1.68444742 1.68444742 1 Cd Cd1 1 5.05334226 5.05334226 5.05334226 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.36889484 3.36889484 3.36889484 1 [/CIF]
Cd2CuZr
Fm-3m
225
cubic
m-3m
8,242.781519
false
[CIF] data_Ga2SiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69935535 _cell_length_b 5.69935535 _cell_length_c 5.69935535 _cell_angle_alpha 140.23347059 _cell_angle_beta 140.23347059 _cell_angle_gamma 57.49897792 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2SiAs _chemical_formula_sum 'Ga2 Si1 As1' _cell_volume 75.09816743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 -0.00000000 0.00000000 4.99680178 1 Ga Ga1 1 0.00000000 1.93837863 2.49840089 1 Ga Ga2 1 1.93837863 0.00000000 2.49840089 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsGa2Si
I4/mmm
139
tetragonal
4/mmm
5,361.02089
false
[CIF] data_LaMn2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93877244 _cell_length_b 2.93877244 _cell_length_c 7.52894376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMn2Zn _chemical_formula_sum 'La1 Mn2 Zn1' _cell_volume 65.02284536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46938622 1.46938622 5.77603859 1 Mn Mn1 1 0.00000000 0.00000000 0.59835678 1 Mn Mn2 1 1.46938622 1.46938622 1.65893274 1 Zn Zn3 1 0.00000000 0.00000000 3.26008753 1 [/CIF]
LaMn2Zn
P4mm
99
tetragonal
4mm
8,023.210651
false
[CIF] data_ScPPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82450977 _cell_length_b 6.82450977 _cell_length_c 3.78459080 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPPt _chemical_formula_sum 'Sc3 P3 Pt3' _cell_volume 152.64847887 _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 P P0 1 1.94940873 0.00000000 1.89229540 1 P P1 1 -0.97470436 1.68823748 1.89229540 1 P P2 1 2.43755052 4.22196135 1.89229540 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 Pt Pt4 1 0.00000000 3.94013255 1.89229540 1 Pt Pt5 1 3.41225489 1.97006628 1.89229540 1 Sc Sc6 1 4.17881955 0.00000000 0.00000000 1 Sc Sc7 1 -2.08940977 3.61896389 0.00000000 1 Sc Sc8 1 1.32284511 2.29123494 0.00000000 1 [/CIF]
P3Pt3Sc3
P-62m
189
hexagonal
-6m2
8,844.032299
false
[CIF] data_BeCuP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77306263 _cell_length_b 2.77306263 _cell_length_c 6.84807260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.05997292 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCuP2 _chemical_formula_sum 'Be1 Cu1 P2' _cell_volume 50.60561903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 0.00000000 3.42403630 1 P P2 1 1.66771145 0.00000000 5.29664449 1 P P3 1 1.66771145 0.00000000 1.55142811 1 [/CIF]
BeCuP2
Cmmm
65
orthorhombic
mmm
4,413.580622
false
[CIF] data_GaAg4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50583798 _cell_length_b 5.50583798 _cell_length_c 5.50583798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg4Au _chemical_formula_sum 'Ga1 Ag4 Au1' _cell_volume 118.01991117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86634563 4.86634563 2.92008511 1 Ag Ag1 1 4.86634563 2.92008511 4.86634563 1 Ag Ag2 1 2.92008511 4.86634563 4.86634563 1 Ag Ag3 1 2.92008511 2.92008511 2.92008511 1 Au Au4 1 5.83982306 5.83982306 5.83982306 1 Ga Ga5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag4AuGa
F-43m
216
cubic
-43m
9,823.138122
false
[CIF] data_InNiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45930379 _cell_length_b 4.45930379 _cell_length_c 4.45930379 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNiP2 _chemical_formula_sum 'In1 Ni1 P2' _cell_volume 62.70269124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 4.72980593 4.72980593 4.72980593 1 Ni Ni1 1 3.15320395 3.15320395 3.15320395 1 P P2 1 1.57660197 1.57660197 1.57660197 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InNiP2
F-43m
216
cubic
-43m
6,235.597454
false
[CIF] data_KNaFeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66264861 _cell_length_b 4.66264861 _cell_length_c 4.66264861 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaFeOs _chemical_formula_sum 'K1 Na1 Fe1 Os1' _cell_volume 71.67753528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29699045 3.29699045 3.29699045 1 K K1 1 1.64849523 1.64849523 1.64849522 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 4.94548568 4.94548568 4.94548568 1 [/CIF]
FeKNaOs
F-43m
216
cubic
-43m
7,139.151945
false
[CIF] data_Ca2HgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08327204 _cell_length_b 5.08327204 _cell_length_c 3.59354384 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2HgIr _chemical_formula_sum 'Ca2 Hg1 Ir1' _cell_volume 92.85593167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.54163602 1.79677192 1 Ca Ca1 1 2.54163602 0.00000000 1.79677192 1 Hg Hg2 1 2.54163602 2.54163602 0.00000000 1 Ir Ir3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2HgIr
P4/mmm
123
tetragonal
4/mmm
8,457.98126
false
[CIF] data_PrTl2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21079435 _cell_length_b 5.21079435 _cell_length_c 5.21079435 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrTl2Ag _chemical_formula_sum 'Pr1 Tl2 Ag1' _cell_volume 100.04532595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pr Pr1 1 3.68458802 3.68458802 3.68458802 1 Tl Tl2 1 1.84229401 1.84229401 1.84229401 1 Tl Tl3 1 5.52688203 5.52688203 5.52688203 1 [/CIF]
AgPrTl2
Fm-3m
225
cubic
m-3m
10,913.802477
false
[CIF] data_TaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77930111 _cell_length_b 2.77930111 _cell_length_c 3.52666386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.10146271 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBe _chemical_formula_sum 'Ta1 Be1' _cell_volume 27.22344549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.92889382 0.00000000 1.76333193 1 [/CIF]
BeTa
Cmmm
65
orthorhombic
mmm
11,586.928044
false
[CIF] data_La2VAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65748104 _cell_length_b 4.91417324 _cell_length_c 5.40697110 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2VAg _chemical_formula_sum 'La2 V1 Ag1' _cell_volume 97.18217048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82874052 0.00000000 2.70348555 1 La La1 1 1.82874052 2.45708662 0.00000000 1 La La2 1 0.00000000 2.45708662 2.70348555 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgLa2V
Pmmm
47
orthorhombic
mmm
7,460.479905
false
[CIF] data_CaHfSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67550066 _cell_length_b 4.67550066 _cell_length_c 4.67550066 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfSi _chemical_formula_sum 'Ca1 Hf1 Si1' _cell_volume 72.27188285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.95911733 4.95911733 4.95911733 1 Hf Hf1 1 1.65303911 1.65303911 1.65303911 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaHfSi
F-43m
216
cubic
-43m
5,667.18005
false
[CIF] data_BAs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16234704 _cell_length_b 3.16234704 _cell_length_c 8.22147000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BAs2Br _chemical_formula_sum 'B1 As2 Br1' _cell_volume 82.21830759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.66920513 1 As As1 1 1.58117352 1.58117352 3.26911561 1 B B2 1 0.00000000 0.00000000 2.72212535 1 Br Br3 1 1.58117352 1.58117352 5.67175891 1 [/CIF]
As2BBr
P4mm
99
tetragonal
4mm
4,858.483476
false
[CIF] data_KAl2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79856855 _cell_length_b 4.79856855 _cell_length_c 4.79856855 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2Mo _chemical_formula_sum 'K1 Al2 Mo1' _cell_volume 78.13041146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69655018 1.69655018 1.69655018 1 K K2 1 3.39310036 3.39310036 3.39310036 1 Mo Mo3 1 5.08965054 5.08965054 5.08965054 1 [/CIF]
Al2KMo
F-43m
216
cubic
-43m
4,017.352212
false
[CIF] data_Sb2PdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64389376 _cell_length_b 3.64389376 _cell_length_c 7.29265531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2PdCl _chemical_formula_sum 'Sb2 Pd1 Cl1' _cell_volume 96.83159788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.90481546 1 Pd Pd1 1 1.82194688 1.82194688 5.90915349 1 Sb Sb2 1 0.00000000 0.00000000 6.90346511 1 Sb Sb3 1 1.82194688 1.82194688 1.51420429 1 [/CIF]
ClPdSb2
P4mm
99
tetragonal
4mm
6,609.16827
false
[CIF] data_CaHfMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73741582 _cell_length_b 4.73741582 _cell_length_c 4.73741582 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfMoOs _chemical_formula_sum 'Ca1 Hf1 Mo1 Os1' _cell_volume 75.18124607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.34985885 3.34985885 3.34985885 1 Mo Mo2 1 1.67492942 1.67492942 1.67492943 1 Os Os3 1 5.02478827 5.02478827 5.02478828 1 [/CIF]
CaHfMoOs
F-43m
216
cubic
-43m
11,148.663025
false
[CIF] data_Zr2GaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37900115 _cell_length_b 3.37900115 _cell_length_c 6.48480717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2GaTc _chemical_formula_sum 'Zr2 Ga1 Tc1' _cell_volume 74.04125040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 0.00000000 0.00000000 3.24240358 1 Zr Zr2 1 1.68950057 1.68950057 4.80592529 1 Zr Zr3 1 1.68950057 1.68950057 1.67888188 1 [/CIF]
GaTcZr2
P4/mmm
123
tetragonal
4/mmm
7,873.704881
false
[CIF] data_Hf3Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13154490 _cell_length_b 5.13154490 _cell_length_c 5.13154490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ag _chemical_formula_sum 'Hf3 Ag1' _cell_volume 135.12770467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 2.56577245 1 Hf Hf2 1 0.00000000 2.56577245 0.00000000 1 Hf Hf3 1 2.56577245 0.00000000 0.00000000 1 [/CIF]
AgHf3
Pm-3m
221
cubic
m-3m
7,905.767487
false
[CIF] data_CoBiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39010912 _cell_length_b 4.39010912 _cell_length_c 4.39010912 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoBiAs _chemical_formula_sum 'Co1 Bi1 As1' _cell_volume 59.82889035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65641390 4.65641390 4.65641390 1 Bi Bi1 1 1.55213797 1.55213797 1.55213797 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsBiCo
F-43m
216
cubic
-43m
9,515.323305
false
[CIF] data_TePtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51412934 _cell_length_b 4.51412934 _cell_length_c 4.51412934 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePtW _chemical_formula_sum 'Te1 Pt1 W1' _cell_volume 65.04396366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59598573 1.59598574 1.59598573 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 3.19197147 3.19197147 3.19197147 1 [/CIF]
PtTeW
F-43m
216
cubic
-43m
12,931.298199
false
[CIF] data_Zr2NbNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38829142 _cell_length_b 4.42166531 _cell_length_c 4.95067052 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2NbNi _chemical_formula_sum 'Zr2 Nb1 Ni1' _cell_volume 74.17040429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69414571 0.00000000 2.47533526 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.21083265 2.47533526 1 Zr Zr3 1 1.69414571 2.21083265 0.00000000 1 [/CIF]
NbNiZr2
Pmmm
47
orthorhombic
mmm
7,478.715994
false