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_KPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66413787 _cell_length_b 5.66413787 _cell_length_c 6.52195222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPt _chemical_formula_sum 'K2 Pt2' _cell_volume 181.20737824 _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 K K0 1 2.83206894 1.63509576 4.89146417 1 K K1 1 0.00000000 3.27019153 1.63048805 1 Pt Pt2 1 2.83206894 1.63509576 1.63048805 1 Pt Pt3 1 0.00000000 3.27019153 4.89146417 1 [/CIF]
K2Pt2
P6_3/mmc
194
hexagonal
6/mmm
4,291.975988
false
[CIF] data_BaMnTlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05090973 _cell_length_b 5.05090973 _cell_length_c 5.05090973 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnTlMo _chemical_formula_sum 'Ba1 Mn1 Tl1 Mo1' _cell_volume 91.11582720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78576626 1.78576626 1.78576626 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 5.35729878 5.35729878 5.35729878 1 Tl Tl3 1 3.57153252 3.57153252 3.57153252 1 [/CIF]
BaMnMoTl
F-43m
216
cubic
-43m
8,977.533614
false
[CIF] data_YBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29537900 _cell_length_b 7.29537900 _cell_length_c 3.68840900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBr2 _chemical_formula_sum 'Y2 Br4' _cell_volume 196.30654996 _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 Y Y0 1 0.00000000 0.00000000 0.00000000 1 Y Y1 1 3.64768950 3.64768950 1.84420450 1 Br Br2 1 2.06303834 2.06303834 0.00000000 1 Br Br3 1 5.23234066 5.23234066 0.00000000 1 Br Br4 1 1.58465116 5.71072784 1.84420450 1 Br Br5 1 5.71072784 1.58465116 1.84420450 1 [/CIF]
Br4Y2
P4_2/mnm
136
tetragonal
4/mmm
4,207.695203
false
[CIF] data_Nb2TeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64615819 _cell_length_b 4.64615819 _cell_length_c 4.64615819 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TeOs _chemical_formula_sum 'Nb2 Te1 Os1' _cell_volume 70.91971443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.92799494 4.92799494 4.92799494 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.64266498 1.64266498 1.64266498 1 Te Te3 1 3.28532996 3.28532996 3.28532996 1 [/CIF]
Nb2OsTe
F-43m
216
cubic
-43m
11,792.46822
false
[CIF] data_AgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72600336 _cell_length_b 6.72600336 _cell_length_c 8.59743926 _cell_angle_alpha 118.47835337 _cell_angle_beta 118.47835337 _cell_angle_gamma 29.45938246 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBi2 _chemical_formula_sum 'Ag2 Bi4' _cell_volume 166.41903529 _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 Ag Ag0 1 8.49519734 0.00000000 0.12241647 1 Ag Ag1 1 0.27593252 -0.00000000 7.35746363 1 Bi Bi2 1 8.91457838 -0.00000000 5.60952448 1 Bi Bi3 1 2.99408315 -0.00000000 2.53557404 1 Bi Bi4 1 -0.14344852 0.00000000 1.87035561 1 Bi Bi5 1 5.77704670 -0.00000000 4.94430606 1 [/CIF]
Ag2Bi4
C2/m
12
monoclinic
2/m
10,493.506291
false
[CIF] data_LiSnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46155537 _cell_length_b 7.46155537 _cell_length_c 7.46155537 _cell_angle_alpha 33.39540261 _cell_angle_beta 33.39540261 _cell_angle_gamma 33.39540261 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSnTe2 _chemical_formula_sum 'Li1 Sn1 Te2' _cell_volume 112.07124624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 -0.00000000 -0.00000000 10.55839890 1 Te Te2 1 -0.00000000 0.00000000 15.74553756 1 Te Te3 1 0.00000000 0.00000000 5.37126024 1 [/CIF]
LiSnTe2
R-3m
166
trigonal
-3m
5,668.99621
false
[CIF] data_AlCr2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04223673 _cell_length_b 3.04223673 _cell_length_c 5.91507286 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCr2As _chemical_formula_sum 'Al1 Cr2 As1' _cell_volume 54.74520790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 0.00000000 0.00000000 2.95753643 1 Cr Cr2 1 1.52111836 1.52111836 4.33913112 1 Cr Cr3 1 1.52111836 1.52111836 1.57594174 1 [/CIF]
AlAsCr2
P4/mmm
123
tetragonal
4/mmm
6,245.24532
false
[CIF] data_Ba2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39574387 _cell_length_b 8.39574387 _cell_length_c 8.39574387 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2V _chemical_formula_sum 'Ba8 V4' _cell_volume 591.80351881 _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 Ba Ba0 1 1.34725687 5.54512881 7.04848700 1 Ba Ba1 1 7.04848700 2.85061506 1.34725687 1 Ba Ba2 1 5.54512881 7.04848700 1.34725687 1 Ba Ba3 1 2.85061506 1.34725687 7.04848700 1 Ba Ba4 1 7.04848700 1.34725687 5.54512881 1 Ba Ba5 1 1.34725687 7.04848700 2.85061506 1 Ba Ba6 1 2.85061506 2.85061506 2.85061506 1 Ba Ba7 1 5.54512881 5.54512881 5.54512881 1 V V8 1 4.19787194 0.00000000 4.19787194 1 V V9 1 0.00000000 4.19787194 4.19787194 1 V V10 1 0.00000000 0.00000000 0.00000000 1 V V11 1 4.19787194 4.19787194 0.00000000 1 [/CIF]
Ba8V4
Pa-3
205
cubic
m-3
3,654.348313
false
[CIF] data_CuMoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42114818 _cell_length_b 4.42114818 _cell_length_c 4.42114818 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuMoW2 _chemical_formula_sum 'Cu1 Mo1 W2' _cell_volume 61.10689488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56311193 1.56311193 1.56311193 1 W W2 1 3.12622386 3.12622386 3.12622386 1 W W3 1 4.68933579 4.68933579 4.68933579 1 [/CIF]
CuMoW2
F-43m
216
cubic
-43m
14,325.927541
false
[CIF] data_Sr2YCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06597225 _cell_length_b 5.47461068 _cell_length_c 7.24195256 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.93707125 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2YCd _chemical_formula_sum 'Sr2 Y1 Cd1' _cell_volume 155.00705132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20045469 2.73730534 5.19008096 1 Sr Sr1 1 -1.74601843 0.00000000 6.61956642 1 Sr Sr2 1 2.34537786 2.73730534 2.02618290 1 Y Y3 1 0.32788017 0.00000000 3.57316922 1 [/CIF]
CdSr2Y
Pm
6
monoclinic
m
4,033.928488
false
[CIF] data_Zn2CdMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76000459 _cell_length_b 2.76000459 _cell_length_c 8.83373266 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.70220675 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CdMo _chemical_formula_sum 'Zn2 Cd1 Mo1' _cell_volume 66.12156369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76110737 0.00000000 4.40434575 1 Mo Mo1 1 0.00000000 0.00000000 2.04253726 1 Zn Zn2 1 1.76110737 0.00000000 8.82773615 1 Zn Zn3 1 0.00000000 0.00000000 6.80971259 1 [/CIF]
CdMoZn2
Cmm2
35
orthorhombic
mm2
8,516.741631
false
[CIF] data_KNaAgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56483282 _cell_length_b 5.56483282 _cell_length_c 5.56483282 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaAgBi _chemical_formula_sum 'K1 Na1 Ag1 Bi1' _cell_volume 121.85444225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96746551 1.96746551 1.96746551 1 Bi Bi1 1 5.90239653 5.90239653 5.90239653 1 K K2 1 3.93493102 3.93493102 3.93493102 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBiKNa
F-43m
216
cubic
-43m
5,163.858875
false
[CIF] data_SrAl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43276829 _cell_length_b 6.43276829 _cell_length_c 6.43276829 _cell_angle_alpha 39.94639786 _cell_angle_beta 39.94639786 _cell_angle_gamma 39.94639786 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAl2Au _chemical_formula_sum 'Sr1 Al2 Au1' _cell_volume 98.86726421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.09721244 1 Al Al1 1 0.00000000 0.00000000 3.63655743 1 Au Au2 1 -0.00000000 -0.00000000 8.86688493 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2AuSr
R-3m
166
trigonal
-3m
5,686.158282
false
[CIF] data_Ba2YCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73050427 _cell_length_b 6.73050427 _cell_length_c 6.73050427 _cell_angle_alpha 130.78827918 _cell_angle_beta 130.78827918 _cell_angle_gamma 72.14967555 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2YCl _chemical_formula_sum 'Ba2 Y1 Cl1' _cell_volume 170.88915788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 2.80240557 2.71996019 1 Ba Ba1 1 2.80240557 -0.00000000 2.71996019 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 5.43992038 1 [/CIF]
Ba2ClY
I4/mmm
139
tetragonal
4/mmm
3,877.229157
false
[CIF] data_P3WC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67672139 _cell_length_b 4.67672139 _cell_length_c 4.67672139 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P3WC _chemical_formula_sum 'P3 W1 C1' _cell_volume 102.28795460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 2.33836069 0.00000000 2.33836069 1 P P1 1 2.33836069 2.33836069 0.00000000 1 P P2 1 0.00000000 2.33836069 2.33836069 1 C C3 1 0.00000000 0.00000000 0.00000000 1 W W4 1 2.33836069 2.33836069 2.33836069 1 [/CIF]
CP3W
Pm-3m
221
cubic
m-3m
4,687.91429
false
[CIF] data_LiMoRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40481123 _cell_length_b 4.40481123 _cell_length_c 4.40481123 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMoRuAu _chemical_formula_sum 'Li1 Mo1 Ru1 Au1' _cell_volume 60.43199141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11467189 3.11467189 3.11467189 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.67200783 4.67200783 4.67200783 1 Ru Ru3 1 1.55733594 1.55733594 1.55733595 1 [/CIF]
AuLiMoRu
F-43m
216
cubic
-43m
11,016.888258
false
[CIF] data_CaBeIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58231698 _cell_length_b 3.58231698 _cell_length_c 7.28495360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeIn2 _chemical_formula_sum 'Ca1 Be1 In2' _cell_volume 93.48777246 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21701023 1 Ca Ca1 1 1.79115849 1.79115849 5.29898105 1 In In2 1 0.00000000 0.00000000 0.24585895 1 In In3 1 1.79115849 1.79115849 2.16558009 1 [/CIF]
BeCaIn2
P4mm
99
tetragonal
4mm
4,951.495128
false
[CIF] data_Mn2NbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76413052 _cell_length_b 2.76413052 _cell_length_c 7.90492530 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.92136517 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NbAu _chemical_formula_sum 'Mn2 Nb1 Au1' _cell_volume 60.36297354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92149039 -0.00000000 1.85328270 1 Mn Mn1 1 0.00000000 0.00000000 7.66147763 1 Mn Mn2 1 1.92149039 -0.00000000 6.11929413 1 Nb Nb3 1 0.00000000 0.00000000 4.12825878 1 [/CIF]
AuMn2Nb
Cmm2
35
orthorhombic
mm2
10,996.789211
false
[CIF] data_CaGeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86999189 _cell_length_b 3.86999189 _cell_length_c 7.46435573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGeTe2 _chemical_formula_sum 'Ca1 Ge1 Te2' _cell_volume 111.79244079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 3.73217787 1 Te Te2 1 1.93499595 1.93499595 5.54451635 1 Te Te3 1 1.93499595 1.93499595 1.91983938 1 [/CIF]
CaGeTe2
P4/mmm
123
tetragonal
4/mmm
5,464.968901
false
[CIF] data_TiAgSnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65005043 _cell_length_b 4.65005043 _cell_length_c 4.65005043 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgSnMo _chemical_formula_sum 'Ti1 Ag1 Sn1 Mo1' _cell_volume 71.09809919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93212328 4.93212328 4.93212329 1 Mo Mo1 1 3.28808219 3.28808219 3.28808219 1 Sn Sn2 1 1.64404109 1.64404109 1.64404109 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgMoSnTi
F-43m
216
cubic
-43m
8,651.037259
false
[CIF] data_MgCdTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56219278 _cell_length_b 4.56219278 _cell_length_c 4.56219278 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCdTcW _chemical_formula_sum 'Mg1 Cd1 Tc1 W1' _cell_volume 67.14379746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61297873 1.61297873 1.61297872 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.83893618 4.83893618 4.83893618 1 W W3 1 3.22595745 3.22595745 3.22595745 1 [/CIF]
CdMgTcW
F-43m
216
cubic
-43m
10,373.755975
false
[CIF] data_MnBeCuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09364552 _cell_length_b 4.09364552 _cell_length_c 4.09364552 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeCuW _chemical_formula_sum 'Mn1 Be1 Cu1 W1' _cell_volume 48.50826072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34196677 4.34196677 4.34196677 1 Mn Mn2 1 1.44732226 1.44732226 1.44732225 1 W W3 1 2.89464451 2.89464451 2.89464451 1 [/CIF]
BeCuMnW
F-43m
216
cubic
-43m
10,657.689228
false
[CIF] data_La(Mo3S4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57425955 _cell_length_b 6.57425955 _cell_length_c 6.57425955 _cell_angle_alpha 88.96273436 _cell_angle_beta 88.96273436 _cell_angle_gamma 88.96273436 _symmetry_Int_Tables_number 1 _chemical_formula_structural La(Mo3S4)2 _chemical_formula_sum 'La1 Mo6 S8' _cell_volume 284.00731661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 -0.89363443 1.26931998 6.91691824 1 Mo Mo2 1 -0.65244614 -1.40857011 6.91691824 1 Mo Mo3 1 1.54608057 0.13925013 6.91691824 1 Mo Mo4 1 0.89363443 -1.26931998 4.67433525 1 Mo Mo5 1 0.65244614 1.40857011 4.67433525 1 Mo Mo6 1 -1.54608057 -0.13925013 4.67433525 1 S S7 1 -0.00000000 -0.00000000 8.76122577 1 S S8 1 0.00000000 -0.00000000 2.83002772 1 S S9 1 1.13090264 2.64016737 6.77171461 1 S S10 1 -2.85190334 -0.34069327 6.77171461 1 S S11 1 1.72100069 -2.29947411 6.77171461 1 S S12 1 -1.13090264 -2.64016737 4.81953888 1 S S13 1 2.85190334 0.34069327 4.81953888 1 S S14 1 -1.72100069 2.29947411 4.81953888 1 [/CIF]
LaMo6S8
R-3
148
trigonal
-3
5,678.344824
false
[CIF] data_In2SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90969763 _cell_length_b 4.90969763 _cell_length_c 4.90969763 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2SiP _chemical_formula_sum 'In2 Si1 P1' _cell_volume 83.68531248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.73584024 1.73584024 1.73584025 1 In In1 1 5.20752073 5.20752074 5.20752074 1 P P2 1 3.47168049 3.47168049 3.47168049 1 Si Si3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
In2PSi
Fm-3m
225
cubic
m-3m
5,728.481459
false
[CIF] data_ZnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94666557 _cell_length_b 4.94666557 _cell_length_c 4.94666557 _cell_angle_alpha 51.32556720 _cell_angle_beta 51.32556720 _cell_angle_gamma 51.32556720 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnP _chemical_formula_sum 'Zn2 P2' _cell_volume 68.10235495 _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 P P0 1 -0.00000000 -0.00000000 8.64406315 1 P P1 1 -0.00000000 -0.00000000 4.20714747 1 Zn Zn2 1 -0.00000000 -0.00000000 11.40734845 1 Zn Zn3 1 -0.00000000 0.00000000 1.44386217 1 [/CIF]
P2Zn2
R-3m
166
trigonal
-3m
4,698.785707
false
[CIF] data_YFeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37260318 _cell_length_b 4.37260318 _cell_length_c 4.20954131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeBi _chemical_formula_sum 'Y1 Fe1 Bi1' _cell_volume 69.70204807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18630161 1.26226180 0.54944263 1 Fe Fe1 1 0.00000000 0.00000000 0.97828309 1 Y Y2 1 0.00000002 2.52452361 2.68181559 1 [/CIF]
BiFeY
P3m1
156
trigonal
3m
8,427.077476
false
[CIF] data_K2AgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48567893 _cell_length_b 4.48567893 _cell_length_c 6.83252806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AgSn _chemical_formula_sum 'K2 Ag1 Sn1' _cell_volume 137.47945251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.24283946 2.24283946 1.66859313 1 K K2 1 2.24283946 2.24283946 5.16393493 1 Sn Sn3 1 0.00000000 0.00000000 3.41626403 1 [/CIF]
AgK2Sn
P4/mmm
123
tetragonal
4/mmm
3,681.208011
false
[CIF] data_NaNb2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00415873 _cell_length_b 4.00415873 _cell_length_c 4.09868761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNb2Co _chemical_formula_sum 'Na1 Nb2 Co1' _cell_volume 65.71543533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00207937 2.00207937 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 0.00000000 2.00207937 2.04934380 1 Nb Nb3 1 2.00207937 0.00000000 2.04934380 1 [/CIF]
CoNaNb2
P4/mmm
123
tetragonal
4/mmm
6,765.315142
false
[CIF] data_Yb2CuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40355345 _cell_length_b 6.40355345 _cell_length_c 6.40355345 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2CuO4 _chemical_formula_sum 'Yb4 Cu2 O8' _cell_volume 185.67272804 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 2.26399803 2.26399803 2.26399803 1 O O2 1 3.36673488 3.36673488 3.36673488 1 O O3 1 3.36673488 5.68925726 5.68925726 1 O O4 1 5.68925726 3.36673488 5.68925726 1 O O5 1 5.63073291 5.63073291 7.95325529 1 O O6 1 5.68925726 5.68925726 3.36673488 1 O O7 1 5.63073291 7.95325529 5.63073291 1 O O8 1 7.95325529 7.95325529 7.95325529 1 O O9 1 7.95325529 5.63073291 5.63073291 1 Yb Yb10 1 3.39599705 3.39599705 5.65999508 1 Yb Yb11 1 3.39599705 5.65999508 3.39599705 1 Yb Yb12 1 5.65999508 3.39599705 3.39599705 1 Yb Yb13 1 5.65999508 5.65999508 5.65999508 1 [/CIF]
Cu2O8Yb4
Fd-3m
227
cubic
m-3m
8,472.079109
false
[CIF] data_Tc2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97430978 _cell_length_b 2.97430978 _cell_length_c 8.02315544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2HgGe _chemical_formula_sum 'Tc2 Hg1 Ge1' _cell_volume 70.97699437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 3.64912076 1 Hg Hg1 1 1.48715489 1.48715489 6.18482010 1 Tc Tc2 1 0.00000000 0.00000000 0.36801909 1 Tc Tc3 1 1.48715489 1.48715489 1.83277320 1 [/CIF]
GeHgTc2
P4mm
99
tetragonal
4mm
11,020.251198
false
[CIF] data_KHfMnBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62748054 _cell_length_b 4.62748054 _cell_length_c 4.62748054 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfMnBe _chemical_formula_sum 'K1 Hf1 Mn1 Be1' _cell_volume 70.06785226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27212287 3.27212287 3.27212287 1 K K2 1 1.63606144 1.63606144 1.63606144 1 Mn Mn3 1 4.90818431 4.90818431 4.90818431 1 [/CIF]
BeHfKMn
F-43m
216
cubic
-43m
6,672.185714
false
[CIF] data_LaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61636513 _cell_length_b 3.61636513 _cell_length_c 6.73413127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNi _chemical_formula_sum 'La2 Ni2' _cell_volume 88.06962053 _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 La La0 1 1.80818257 0.00000000 4.67491911 1 La La1 1 0.00000000 1.80818257 2.05921216 1 Ni Ni2 1 1.80818257 0.00000000 0.66634788 1 Ni Ni3 1 0.00000000 1.80818257 6.06778339 1 [/CIF]
La2Ni2
P4/nmm
129
tetragonal
4/mmm
7,451.392232
false
[CIF] data_TlBiTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46600559 _cell_length_b 6.46600559 _cell_length_c 6.46600559 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBiTe4 _chemical_formula_sum 'Tl1 Bi1 Te4' _cell_volume 191.15833071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28607820 2.28607820 2.28607820 1 Te Te1 1 3.43073578 3.43073578 5.71357702 1 Te Te2 1 3.43073578 5.71357702 3.43073578 1 Te Te3 1 5.71357702 3.43073578 3.43073578 1 Te Te4 1 5.71357702 5.71357702 5.71357702 1 Tl Tl5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiTe4Tl
F-43m
216
cubic
-43m
8,024.477439
false
[CIF] data_RbScIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52594244 _cell_length_b 5.52594244 _cell_length_c 5.52594244 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbScIn2 _chemical_formula_sum 'Rb1 Sc1 In2' _cell_volume 119.31747992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.95371569 1.95371569 1.95371569 1 In In1 1 5.86114705 5.86114706 5.86114705 1 Rb Rb2 1 3.90743137 3.90743137 3.90743137 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2RbSc
Fm-3m
225
cubic
m-3m
5,010.944067
false
[CIF] data_NaTiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50572998 _cell_length_b 7.17018902 _cell_length_c 3.19950571 _cell_angle_alpha 83.35109098 _cell_angle_beta 71.59896707 _cell_angle_gamma 25.04994195 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiCl _chemical_formula_sum 'Na1 Ti1 Cl1' _cell_volume 62.66516857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.62979521 2.75328973 0.14850546 1 Na Na1 1 1.62979521 2.75328973 4.78468694 1 Ti Ti2 1 1.62979521 2.75328973 9.03181790 1 [/CIF]
ClNaTi
Fmm2
42
orthorhombic
mm2
2,817.059765
false
[CIF] data_TiCd2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86006534 _cell_length_b 4.80755296 _cell_length_c 5.32652096 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.60347280 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCd2Pt _chemical_formula_sum 'Ti1 Cd2 Pt1' _cell_volume 72.41507588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74190806 2.40377648 1.34336905 1 Cd Cd1 1 0.32133493 2.40377648 3.92321425 1 Pt Pt2 1 1.03162149 0.00000000 2.63329165 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2PtTi
P2/m
10
monoclinic
2/m
10,726.431359
false
[CIF] data_TiZnMo(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68758481 _cell_length_b 8.68758481 _cell_length_c 8.68758481 _cell_angle_alpha 60.45085467 _cell_angle_beta 60.45085467 _cell_angle_gamma 60.45085467 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnMo(PO4)3 _chemical_formula_sum 'Ti2 Zn2 Mo2 P6 O24' _cell_volume 468.36704342 _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 Ti Ti0 1 -0.00000000 0.00000000 18.10637131 1 Ti Ti1 1 0.00000000 0.00000000 7.50269488 1 Zn Zn2 1 -0.00000000 0.00000000 21.18328252 1 Zn Zn3 1 0.00000000 0.00000000 10.57960609 1 Mo Mo4 1 -0.00000000 0.00000000 13.62069807 1 Mo Mo5 1 -0.00000000 0.00000000 3.01702164 1 P P6 1 3.12190132 0.25220570 12.37264536 1 P P7 1 -1.77936720 2.57754300 12.37264536 1 P P8 1 -1.34253412 -2.82974870 12.37264536 1 P P9 1 1.25145889 2.77716639 8.83808655 1 P P10 1 1.77936720 -2.47237839 8.83808655 1 P P11 1 -3.03082609 -0.30478801 8.83808655 1 O O12 1 1.00621834 1.47767012 14.65082403 1 O O13 1 0.77659069 -1.61024571 14.65082403 1 O O14 1 3.77756860 -1.16133547 12.55426513 1 O O15 1 -1.78280903 0.13257559 14.65082403 1 O O16 1 3.59676951 0.91471498 11.11626522 1 O O17 1 1.58783152 0.07664518 12.21429712 1 O O18 1 -0.88303828 3.85213811 12.55426513 1 O O19 1 -0.86029243 1.33677984 12.21429712 1 O O20 1 0.82267279 -1.42837026 17.16786819 1 O O21 1 -0.72753908 -1.41342502 12.21429712 1 O O22 1 2.78552869 2.60160587 8.67973831 1 O O23 1 -1.64834133 0.00172960 17.16786819 1 O O24 1 -2.59055117 2.65753628 11.11626522 1 O O25 1 -2.89453032 -2.69080263 12.55426513 1 O O26 1 0.59579161 1.36362522 9.01970632 1 O O27 1 -1.00621834 -3.57225126 11.11626522 1 O O28 1 0.88303828 -1.19778328 9.01970632 1 O O29 1 0.86029243 -3.71314154 8.67973831 1 O O30 1 -1.47882989 -0.16584194 9.01970632 1 O O31 1 0.82566854 1.42664067 17.16786819 1 O O32 1 1.64834133 0.00172960 6.56419176 1 O O33 1 -3.64582112 1.11153567 8.67973831 1 O O34 1 -0.82566854 1.42664067 6.56419176 1 O O35 1 -0.82267279 -1.42837026 6.56419176 1 [/CIF]
Mo2O24P6Ti2Zn2
R3c
161
trigonal
3m
3,503.693509
false
[CIF] data_KBaSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36166616 _cell_length_b 6.36166616 _cell_length_c 6.36166616 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaSb3 _chemical_formula_sum 'K1 Ba1 Sb3' _cell_volume 257.46169549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 3.18083308 0.00000000 3.18083308 1 Sb Sb1 1 3.18083308 3.18083308 0.00000000 1 Sb Sb2 1 0.00000000 3.18083308 3.18083308 1 K K3 1 0.00000000 0.00000000 0.00000000 1 Ba Ba4 1 3.18083308 3.18083308 3.18083308 1 [/CIF]
BaKSb3
Pm-3m
221
cubic
m-3m
3,493.812202
false
[CIF] data_BaTlMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37998967 _cell_length_b 3.37998967 _cell_length_c 8.52692450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlMo2 _chemical_formula_sum 'Ba1 Tl1 Mo2' _cell_volume 97.41440082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 6.54475120 1 Mo Mo1 1 1.68999484 1.68999484 0.68104043 1 Mo Mo2 1 0.00000000 0.00000000 1.76408169 1 Tl Tl3 1 1.68999484 1.68999484 3.80051352 1 [/CIF]
BaMo2Tl
P4mm
99
tetragonal
4mm
9,096.386401
false
[CIF] data_NiTe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78549484 _cell_length_b 4.78549484 _cell_length_c 4.78549484 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiTe2Rh _chemical_formula_sum 'Ni1 Te2 Rh1' _cell_volume 77.49355027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 5.07578378 5.07578378 5.07578378 1 Te Te2 1 3.38385585 3.38385585 3.38385585 1 Te Te3 1 1.69192793 1.69192793 1.69192792 1 [/CIF]
NiRhTe2
F-43m
216
cubic
-43m
8,931.205939
false
[CIF] data_LiMn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68600066 _cell_length_b 3.81847432 _cell_length_c 4.93676456 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.09149682 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2P _chemical_formula_sum 'Li1 Mn2 P1' _cell_volume 48.88726677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.14836580 0.00000000 3.40042739 1 Mn Mn1 1 2.53578922 1.90923716 0.10885012 1 Mn Mn2 1 1.21951879 0.00000000 1.16427933 1 P P3 1 1.18004635 1.90923716 2.47619601 1 [/CIF]
LiMn2P
Pm
6
monoclinic
m
5,019.967358
false
[CIF] data_Y2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44668107 _cell_length_b 6.44668107 _cell_length_c 8.12988422 _cell_angle_alpha 122.45328144 _cell_angle_beta 122.45328144 _cell_angle_gamma 34.32886804 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Pd _chemical_formula_sum 'Y4 Pd2' _cell_volume 157.65305522 _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 Pd Pd0 1 4.66846543 0.00000000 4.61013909 1 Pd Pd1 1 3.08469796 -0.00000000 2.11645818 1 Y Y2 1 -0.60331548 0.00000000 2.56606609 1 Y Y3 1 7.81611763 -0.00000000 0.45783138 1 Y Y4 1 -0.06295424 -0.00000000 6.26876588 1 Y Y5 1 8.35647887 -0.00000000 4.16053117 1 [/CIF]
Pd2Y4
C2/m
12
monoclinic
2/m
5,987.550843
false
[CIF] data_RuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60655428 _cell_length_b 4.60655428 _cell_length_c 2.69179861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuAu2 _chemical_formula_sum 'Ru1 Au2' _cell_volume 49.46814009 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30327714 1.32979768 1.34589931 1 Au Au1 1 -0.00000000 2.65959535 1.34589931 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2Ru
P6/mmm
191
hexagonal
6/mmm
16,616.190689
false
[CIF] data_Th2TaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36264550 _cell_length_b 5.36264550 _cell_length_c 5.36264550 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2TaSb _chemical_formula_sum 'Th2 Ta1 Sb1' _cell_volume 109.04914601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 3.79196300 3.79196300 3.79196300 1 Th Th2 1 5.68794450 5.68794450 5.68794450 1 Th Th3 1 1.89598150 1.89598150 1.89598150 1 [/CIF]
SbTaTh2
Fm-3m
225
cubic
m-3m
11,676.155515
false
[CIF] data_Er2HfCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10919298 _cell_length_b 5.10919298 _cell_length_c 5.10919298 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2HfCr _chemical_formula_sum 'Er2 Hf1 Cr1' _cell_volume 94.30656394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Er Er1 1 5.41911750 5.41911750 5.41911750 1 Er Er2 1 1.80637250 1.80637250 1.80637250 1 Hf Hf3 1 3.61274500 3.61274500 3.61274500 1 [/CIF]
CrEr2Hf
Fm-3m
225
cubic
m-3m
9,948.526822
false
[CIF] data_LiMn2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.40821767 _cell_length_b 3.83696447 _cell_length_c 4.54581794 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2Co _chemical_formula_sum 'Li1 Mn2 Co1' _cell_volume 42.00447438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27290897 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 1.20410883 1.91848223 1.10829646 1 Mn Mn3 1 1.20410883 1.91848223 3.43752148 1 [/CIF]
CoLiMn2
Pmmm
47
orthorhombic
mmm
6,947.836356
false
[CIF] data_Ta2TlCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32054557 _cell_length_b 3.32054557 _cell_length_c 8.44230328 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TlCl _chemical_formula_sum 'Ta2 Tl1 Cl1' _cell_volume 93.08502915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.90099349 1 Ta Ta1 1 1.66027279 1.66027279 0.25618414 1 Ta Ta2 1 0.00000000 0.00000000 1.70166053 1 Tl Tl3 1 1.66027279 1.66027279 3.80461675 1 [/CIF]
ClTa2Tl
P4mm
99
tetragonal
4mm
10,734.267394
false
[CIF] data_Li4CrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93435893 _cell_length_b 4.93435893 _cell_length_c 4.93435893 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4CrCo _chemical_formula_sum 'Li4 Cr1 Co1' _cell_volume 84.95270541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.23367799 5.23367799 5.23367799 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 4.35017232 4.35017232 2.62806500 1 Li Li3 1 4.35017232 2.62806500 4.35017232 1 Li Li4 1 2.62806500 4.35017232 4.35017232 1 Li Li5 1 2.62806500 2.62806500 2.62806500 1 [/CIF]
CoCrLi4
F-43m
216
cubic
-43m
2,710.986466
false
[CIF] data_Sr4NiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53969538 _cell_length_b 9.53969538 _cell_length_c 9.53969538 _cell_angle_alpha 127.41226215 _cell_angle_beta 127.41226215 _cell_angle_gamma 77.57909370 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4NiSn2 _chemical_formula_sum 'Sr8 Ni2 Sn4' _cell_volume 531.14363143 _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 Ni Ni0 1 0.00000000 0.00000000 3.71786861 1 Ni Ni1 1 -0.00000000 0.00000000 11.15360584 1 Sn Sn2 1 1.01049926 5.23634828 -0.00000000 1 Sn Sn3 1 3.21534976 -1.01049926 7.43573723 1 Sn Sn4 1 3.21534976 1.01049926 -0.00000000 1 Sn Sn5 1 1.01049926 3.21534976 7.43573723 1 Sr Sr6 1 5.72454959 1.49870057 -2.15119641 1 Sr Sr7 1 -1.49870057 2.72714845 5.28454082 1 Sr Sr8 1 2.72714845 1.49870057 5.28454082 1 Sr Sr9 1 1.49870057 2.72714845 -2.15119641 1 Sr Sr10 1 1.49870057 2.72714845 2.15119641 1 Sr Sr11 1 2.72714845 1.49870057 9.58693364 1 Sr Sr12 1 -1.49870057 2.72714845 9.58693364 1 Sr Sr13 1 5.72454959 1.49870057 2.15119641 1 [/CIF]
Ni2Sn4Sr8
I4/mcm
140
tetragonal
4/mmm
4,042.950108
false
[CIF] data_Zn2AuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62591589 _cell_length_b 3.62591589 _cell_length_c 6.38466363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2AuSe _chemical_formula_sum 'Zn2 Au1 Se1' _cell_volume 83.94087110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81295794 1.81295794 2.42518639 1 Se Se1 1 0.00000000 0.00000000 5.62916096 1 Zn Zn2 1 1.81295794 1.81295794 6.06030701 1 Zn Zn3 1 0.00000000 0.00000000 1.84700472 1 [/CIF]
AuSeZn2
P4mm
99
tetragonal
4mm
8,045.211844
false
[CIF] data_SrYRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90456863 _cell_length_b 4.90456863 _cell_length_c 4.90456863 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYRh2 _chemical_formula_sum 'Sr1 Y1 Rh2' _cell_volume 83.42331652 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46805374 3.46805374 3.46805374 1 Rh Rh1 1 1.73402687 1.73402687 1.73402687 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.20208061 5.20208061 5.20208061 1 [/CIF]
Rh2SrY
F-43m
216
cubic
-43m
7,610.40561
false
[CIF] data_TiAgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82486987 _cell_length_b 3.93071885 _cell_length_c 5.61669052 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgIr2 _chemical_formula_sum 'Ti1 Ag1 Ir2' _cell_volume 62.36643546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41243494 1.96535943 4.23871745 1 Ir Ir1 1 0.00000000 0.00000000 0.07386111 1 Ir Ir2 1 1.41243494 1.96535943 1.44700489 1 Ti Ti3 1 0.00000000 0.00000000 2.66545233 1 [/CIF]
AgIr2Ti
Pmm2
25
orthorhombic
mm2
14,382.288365
false
[CIF] data_KLaRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05511513 _cell_length_b 5.05511513 _cell_length_c 5.05511513 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaRuAu _chemical_formula_sum 'K1 La1 Ru1 Au1' _cell_volume 91.34360678 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78725310 1.78725310 1.78725310 1 K K1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.36175928 5.36175928 5.36175928 1 Ru Ru3 1 3.57450619 3.57450619 3.57450619 1 [/CIF]
AuKLaRu
F-43m
216
cubic
-43m
8,653.956287
false
[CIF] data_BaNaBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41226413 _cell_length_b 4.41226413 _cell_length_c 7.22066182 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaBi2 _chemical_formula_sum 'Ba1 Na1 Bi2' _cell_volume 140.57238408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 3.61033091 1 Bi Bi1 1 2.20613206 2.20613206 5.69423066 1 Bi Bi2 1 2.20613206 2.20613206 1.52643116 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBi2Na
P4/mmm
123
tetragonal
4/mmm
6,831.018065
false
[CIF] data_TlZn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45048626 _cell_length_b 4.45048626 _cell_length_c 6.72048194 _cell_angle_alpha 102.36967126 _cell_angle_beta 102.36967126 _cell_angle_gamma 48.43229364 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn2Sb _chemical_formula_sum 'Tl1 Zn2 Sb1' _cell_volume 96.80399211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 3.27745141 -0.00000000 2.81503367 1 Tl Tl1 1 0.84524253 -0.00000000 5.15529308 1 Zn Zn2 1 0.00184735 0.00000000 0.39480531 1 Zn Zn3 1 5.68421593 -0.00000000 1.43355849 1 [/CIF]
SbTlZn2
Cm
8
monoclinic
m
7,837.546395
false
[CIF] data_Sc2FeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97851635 _cell_length_b 2.97851635 _cell_length_c 7.54912997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2FeSi _chemical_formula_sum 'Sc2 Fe1 Si1' _cell_volume 66.97255681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48925817 1.48925817 5.32015340 1 Sc Sc1 1 0.00000000 0.00000000 7.06537598 1 Sc Sc2 1 1.48925817 1.48925817 2.27693453 1 Si Si3 1 0.00000000 0.00000000 4.21036093 1 [/CIF]
FeSc2Si
P4mm
99
tetragonal
4mm
4,310.324535
false
[CIF] data_HfAg2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00416474 _cell_length_b 3.00416474 _cell_length_c 7.96909992 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.26168596 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAg2B _chemical_formula_sum 'Hf1 Ag2 B1' _cell_volume 66.56040275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67421567 0.00000000 6.45972020 1 Ag Ag1 1 1.67421567 0.00000000 1.50937972 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 0.00000000 0.00000000 3.98454996 1 [/CIF]
Ag2BHf
Cmmm
65
orthorhombic
mmm
10,104.813047
false
[CIF] data_ZnReBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26526639 _cell_length_b 7.26526639 _cell_length_c 7.26526639 _cell_angle_alpha 154.96500805 _cell_angle_beta 144.65468433 _cell_angle_gamma 43.80251734 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnReBr2 _chemical_formula_sum 'Zn1 Re1 Br2' _cell_volume 93.64562988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20557799 2.04657938 1 Br Br1 1 1.57465733 0.00000000 4.69433864 1 Re Re2 1 -0.00000000 0.00000000 6.74091802 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2ReZn
Immm
71
orthorhombic
mmm
7,294.920972
false
[CIF] data_BeTcAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39851182 _cell_length_b 4.39851182 _cell_length_c 4.39851182 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTcAg3 _chemical_formula_sum 'Be1 Tc1 Ag3' _cell_volume 85.09759574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 2.19925591 2.19925591 2.19925591 1 Ag Ag2 1 0.00000000 2.19925591 0.00000000 1 Ag Ag3 1 0.00000000 0.00000000 2.19925591 1 Ag Ag4 1 2.19925591 0.00000000 0.00000000 1 [/CIF]
Ag3BeTc
Pm-3m
221
cubic
m-3m
8,420.458458
false
[CIF] data_KZnAgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94408019 _cell_length_b 4.94408019 _cell_length_c 4.94408019 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnAgPd _chemical_formula_sum 'K1 Zn1 Ag1 Pd1' _cell_volume 85.45579542 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74799631 1.74799631 1.74799632 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.49599263 3.49599263 3.49599263 1 Zn Zn3 1 5.24398894 5.24398895 5.24398895 1 [/CIF]
AgKPdZn
F-43m
216
cubic
-43m
6,194.129068
false
[CIF] data_CrCoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90771956 _cell_length_b 3.90771956 _cell_length_c 3.90771956 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCoIr _chemical_formula_sum 'Cr1 Co1 Ir1' _cell_volume 42.19443428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38158750 1.38158750 1.38158750 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 4.14476250 4.14476250 4.14476250 1 [/CIF]
CoCrIr
F-43m
216
cubic
-43m
11,930.157954
false
[CIF] data_ZrBe3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55780680 _cell_length_b 4.55780680 _cell_length_c 4.55780680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBe3Au _chemical_formula_sum 'Zr1 Be3 Au1' _cell_volume 94.68206822 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 2.27890340 0.00000000 1 Be Be1 1 0.00000000 0.00000000 2.27890340 1 Be Be2 1 2.27890340 0.00000000 0.00000000 1 Au Au3 1 2.27890340 2.27890340 2.27890340 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBe3Zr
Pm-3m
221
cubic
m-3m
5,528.469637
false
[CIF] data_NaMg2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55835626 _cell_length_b 4.99649459 _cell_length_c 5.02754517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMg2Cu _chemical_formula_sum 'Na1 Mg2 Cu1' _cell_volume 89.38627307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77917813 0.00000000 2.51377258 1 Mg Mg1 1 1.77917813 2.49824730 0.00000000 1 Mg Mg2 1 0.00000000 2.49824730 2.51377258 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuMg2Na
Pmmm
47
orthorhombic
mmm
2,510.618486
false
[CIF] data_TaNbGaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72072500 _cell_length_b 4.72072500 _cell_length_c 4.72072500 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbGaHg _chemical_formula_sum 'Ta1 Nb1 Ga1 Hg1' _cell_volume 74.38940893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 5.00708499 5.00708499 5.00708499 1 Nb Nb2 1 3.33805666 3.33805666 3.33805666 1 Ta Ta3 1 1.66902833 1.66902833 1.66902833 1 [/CIF]
GaHgNbTa
F-43m
216
cubic
-43m
12,147.038228
false
[CIF] data_CaBSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33191948 _cell_length_b 5.33191948 _cell_length_c 5.33191948 _cell_angle_alpha 143.96137703 _cell_angle_beta 120.18677471 _cell_angle_gamma 71.85390531 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBSe2 _chemical_formula_sum 'Ca1 B1 Se2' _cell_volume 75.72588754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 4.31760559 1 Se Se2 1 0.00000000 2.65842994 2.82488723 1 Se Se3 1 1.64936280 0.00000000 1.49271835 1 [/CIF]
BCaSe2
Immm
71
orthorhombic
mmm
4,578.823881
false
[CIF] data_SrBi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43644584 _cell_length_b 4.43644584 _cell_length_c 7.15908033 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBi2As _chemical_formula_sum 'Sr1 Bi2 As1' _cell_volume 140.90538880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34556885 1 Bi Bi1 1 2.21822292 2.21822292 0.59403457 1 Bi Bi2 1 0.00000000 0.00000000 1.62128292 1 Sr Sr3 1 2.21822292 2.21822292 4.17773416 1 [/CIF]
AsBi2Sr
P4mm
99
tetragonal
4mm
6,841.097128
false
[CIF] data_CoSi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87028920 _cell_length_b 3.87028920 _cell_length_c 4.59505580 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSi2Bi _chemical_formula_sum 'Co1 Si2 Bi1' _cell_volume 68.82997720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93514460 1.93514460 0.00000000 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 0.00000000 1.93514460 2.29752790 1 Si Si3 1 1.93514460 0.00000000 2.29752790 1 [/CIF]
BiCoSi2
P4/mmm
123
tetragonal
4/mmm
7,818.615562
false
[CIF] data_ScSbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56656383 _cell_length_b 8.56656383 _cell_length_c 8.56656383 _cell_angle_alpha 24.89715739 _cell_angle_beta 24.89715739 _cell_angle_gamma 24.89715739 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSbSe2 _chemical_formula_sum 'Sc1 Sb1 Se2' _cell_volume 98.01031600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 -0.00000000 -0.00000000 12.44541404 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 -0.00000000 -0.00000000 18.23974518 1 Se Se3 1 0.00000000 0.00000000 6.65108290 1 [/CIF]
SbScSe2
R-3m
166
trigonal
-3m
5,500.141578
false
[CIF] data_AlOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01807300 _cell_length_b 3.01807300 _cell_length_c 3.01807300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlOs _chemical_formula_sum 'Al1 Os1' _cell_volume 27.49091660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.50903650 1.50903650 1.50903650 1 [/CIF]
AlOs
Pm-3m
221
cubic
m-3m
13,120.269897
false
[CIF] data_Hf5Cd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.53407789 _cell_length_b 10.53407789 _cell_length_c 10.53407789 _cell_angle_alpha 162.86818653 _cell_angle_beta 35.05715434 _cell_angle_gamma 149.64942580 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Cd3 _chemical_formula_sum 'Hf5 Cd3' _cell_volume 173.84295653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.61507679 2.76842840 1 Cd Cd1 1 1.56901896 2.42987069 0.01089205 1 Cd Cd2 1 0.00000000 -0.00000000 0.87822660 1 Hf Hf3 1 1.56901896 7.46272518 0.08494158 1 Hf Hf4 1 0.00000000 2.58222230 2.84247793 1 Hf Hf5 1 0.00000000 4.93851566 0.91935140 1 Hf Hf6 1 0.00000000 10.04494748 0.76811873 1 Hf Hf7 1 -0.00000000 15.15137930 0.91935140 1 [/CIF]
Cd3Hf5
Imm2
44
orthorhombic
mm2
11,745.869386
false
[CIF] data_ZrGa2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75543558 _cell_length_b 3.75543558 _cell_length_c 5.38608901 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGa2As _chemical_formula_sum 'Zr1 Ga2 As1' _cell_volume 75.96160972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.87771779 1.87771779 1.35474266 1 Ga Ga2 1 1.87771779 1.87771779 4.03134635 1 Zr Zr3 1 0.00000000 0.00000000 2.69304451 1 [/CIF]
AsGa2Zr
P4/mmm
123
tetragonal
4/mmm
6,680.411097
false
[CIF] data_LiVGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16489611 _cell_length_b 4.16489611 _cell_length_c 4.16489611 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVGa _chemical_formula_sum 'Li1 V1 Ga1' _cell_volume 51.08548482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 4.41753942 4.41753942 4.41753942 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 2.94502628 2.94502628 2.94502628 1 [/CIF]
GaLiV
F-43m
216
cubic
-43m
4,147.830222
false
[CIF] data_Ga2NiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91829806 _cell_length_b 3.91829806 _cell_length_c 5.04499296 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2NiBi _chemical_formula_sum 'Ga2 Ni1 Bi1' _cell_volume 77.45607804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95914903 1.95914903 0.00000000 1 Ga Ga1 1 1.95914903 0.00000000 2.52249648 1 Ga Ga2 1 0.00000000 1.95914903 2.52249648 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGa2Ni
P4/mmm
123
tetragonal
4/mmm
8,728.021736
false
[CIF] data_BeAlV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55522609 _cell_length_b 3.55522609 _cell_length_c 3.99832409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlV2 _chemical_formula_sum 'Be1 Al1 V2' _cell_volume 50.53734732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77761305 1.77761305 0.00000000 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 1.77761305 1.99916205 1 V V3 1 1.77761305 0.00000000 1.99916205 1 [/CIF]
AlBeV2
P4/mmm
123
tetragonal
4/mmm
4,530.306656
false
[CIF] data_CaTbNp2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14896449 _cell_length_b 6.14896449 _cell_length_c 6.14896449 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTbNp2 _chemical_formula_sum 'Ca1 Tb1 Np2' _cell_volume 164.39589045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Np Np1 1 6.52196173 6.52196173 6.52196173 1 Np Np2 1 2.17398724 2.17398724 2.17398724 1 Tb Tb3 1 4.34797449 4.34797449 4.34797449 1 [/CIF]
CaNp2Tb
Fm-3m
225
cubic
m-3m
6,797.909313
false
[CIF] data_PPdBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13508904 _cell_length_b 6.13508904 _cell_length_c 6.13508904 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PPdBr4 _chemical_formula_sum 'P1 Pd1 Br4' _cell_volume 163.28549665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25598775 3.25598775 5.42033837 1 Br Br1 1 3.25598775 5.42033837 3.25598775 1 Br Br2 1 5.42033837 3.25598775 3.25598775 1 Br Br3 1 5.42033837 5.42033837 5.42033837 1 P P4 1 0.00000000 0.00000000 0.00000000 1 Pd Pd5 1 2.16908153 2.16908153 2.16908153 1 [/CIF]
Br4PPd
F-43m
216
cubic
-43m
4,647.58095
false
[CIF] data_AlTeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26083155 _cell_length_b 5.26083155 _cell_length_c 5.26083155 _cell_angle_alpha 137.16087509 _cell_angle_beta 137.16087509 _cell_angle_gamma 62.19061922 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTeIr2 _chemical_formula_sum 'Al1 Te1 Ir2' _cell_volume 66.51241135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.92122755 0.00000000 2.25244966 1 Ir Ir2 1 0.00000000 -0.00000000 4.50489933 1 Te Te3 1 0.00000000 1.92122755 2.25244966 1 [/CIF]
AlIr2Te
I-4m2
119
tetragonal
-42m
13,456.982557
false
[CIF] data_TaSi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52883650 _cell_length_b 4.52883650 _cell_length_c 4.52883650 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSi2As _chemical_formula_sum 'Ta1 Si2 As1' _cell_volume 65.68178220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 4.80355650 4.80355650 4.80355650 1 Si Si2 1 1.60118550 1.60118550 1.60118550 1 Ta Ta3 1 3.20237100 3.20237100 3.20237100 1 [/CIF]
AsSi2Ta
Fm-3m
225
cubic
m-3m
7,888.875576
false
[CIF] data_Er2TlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28966360 _cell_length_b 5.28966360 _cell_length_c 5.28966360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2TlCd _chemical_formula_sum 'Er2 Tl1 Cd1' _cell_volume 104.65721230 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 5.61053550 5.61053550 5.61053550 1 Er Er1 1 1.87017850 1.87017850 1.87017850 1 Tl Tl2 1 3.74035700 3.74035700 3.74035700 1 Cd Cd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdEr2Tl
Fm-3m
225
cubic
m-3m
10,334.018028
false
[CIF] data_MnNb2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30184566 _cell_length_b 3.30184566 _cell_length_c 5.74131247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNb2Ga _chemical_formula_sum 'Mn1 Nb2 Ga1' _cell_volume 62.59284933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87065624 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.65092283 1.65092283 1.36620019 1 Nb Nb3 1 1.65092283 1.65092283 4.37511228 1 [/CIF]
GaMnNb2
P4/mmm
123
tetragonal
4/mmm
8,236.625875
false
[CIF] data_Cs3FeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87712335 _cell_length_b 6.87712335 _cell_length_c 6.87712335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3FeSi _chemical_formula_sum 'Cs3 Fe1 Si1' _cell_volume 325.25234927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 3.43856168 0.00000000 1 Cs Cs1 1 0.00000000 0.00000000 3.43856168 1 Cs Cs2 1 3.43856168 0.00000000 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 Fe Fe4 1 3.43856168 3.43856168 3.43856168 1 [/CIF]
Cs3FeSi
Pm-3m
221
cubic
m-3m
2,464.09891
false
[CIF] data_NaCaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93965678 _cell_length_b 3.93965678 _cell_length_c 6.52477370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaAs2 _chemical_formula_sum 'Na1 Ca1 As2' _cell_volume 101.27033079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.96982839 1.96982839 2.02514536 1 As As1 1 1.96982839 1.96982839 4.49962834 1 Ca Ca2 1 0.00000000 0.00000000 3.26238685 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CaNa
P4/mmm
123
tetragonal
4/mmm
3,491.137935
false
[CIF] data_K2SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32437953 _cell_length_b 5.32437953 _cell_length_c 5.32437953 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SiP _chemical_formula_sum 'K2 Si1 P1' _cell_volume 106.73135352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.88245244 1.88245244 1.88245244 1 K K1 1 3.76490487 3.76490487 3.76490487 1 P P2 1 5.64735731 5.64735731 5.64735730 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2PSi
F-43m
216
cubic
-43m
2,135.442993
false
[CIF] data_BaTc2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25928692 _cell_length_b 4.13258145 _cell_length_c 7.40808089 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.42323667 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTc2Sb _chemical_formula_sum 'Ba1 Tc2 Sb1' _cell_volume 98.43496537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.12138411 2.06629072 3.56163524 1 Sb Sb1 1 -0.53214964 0.00000000 6.00549801 1 Tc Tc2 1 0.23501269 2.06629072 0.42684756 1 Tc Tc3 1 2.24533939 0.00000000 0.96819173 1 [/CIF]
BaSbTc2
Pm
6
monoclinic
m
7,707.619953
false
[CIF] data_Mn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62825174 _cell_length_b 5.62825174 _cell_length_c 5.62825174 _cell_angle_alpha 150.65292527 _cell_angle_beta 150.65292527 _cell_angle_gamma 41.98381660 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Pd _chemical_formula_sum 'Mn2 Pd1' _cell_volume 42.72327241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 -0.00000000 7.03093428 1 Mn Mn1 1 0.00000000 0.00000000 3.47848664 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2Pd
I4/mmm
139
tetragonal
4/mmm
8,406.849175
false
[CIF] data_HfZrF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41837335 _cell_length_b 4.41837335 _cell_length_c 4.41837335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrF3 _chemical_formula_sum 'Hf1 Zr1 F3' _cell_volume 86.25558643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20918668 0.00000000 0.00000000 1 F F1 1 0.00000000 2.20918668 0.00000000 1 F F2 1 0.00000000 0.00000000 2.20918668 1 Hf Hf3 1 2.20918668 2.20918668 2.20918668 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
F3HfZr
Pm-3m
221
cubic
m-3m
6,289.603125
false
[CIF] data_SrPd2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61420243 _cell_length_b 4.61420243 _cell_length_c 5.59617993 _cell_angle_alpha 112.98132499 _cell_angle_beta 112.98132499 _cell_angle_gamma 59.23701943 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPd2Se _chemical_formula_sum 'Sr1 Pd2 Se1' _cell_volume 91.47596949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.15995033 -0.00000000 4.50863502 1 Pd Pd1 1 5.34930247 -0.00000000 0.49140748 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 2.75462640 -0.00000000 2.50002125 1 [/CIF]
Pd2SeSr
C2/m
12
monoclinic
2/m
6,887.510853
false
[CIF] data_HfHg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44597057 _cell_length_b 3.44597057 _cell_length_c 6.96149001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHg2Pt _chemical_formula_sum 'Hf1 Hg2 Pt1' _cell_volume 82.66569710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97119661 1 Hg Hg1 1 1.72298529 1.72298529 6.87337753 1 Hg Hg2 1 0.00000000 0.00000000 1.84800152 1 Pt Pt3 1 1.72298529 1.72298529 3.71114944 1 [/CIF]
HfHg2Pt
P4mm
99
tetragonal
4mm
15,563.910983
false
[CIF] data_TiMnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10386961 _cell_length_b 4.10386961 _cell_length_c 4.10386961 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnRh _chemical_formula_sum 'Ti1 Mn1 Rh1' _cell_volume 48.87262468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 2.90187403 2.90187403 2.90187403 1 Rh Rh1 1 1.45093701 1.45093701 1.45093702 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnRhTi
F-43m
216
cubic
-43m
6,989.401503
false
[CIF] data_BeZnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34320393 _cell_length_b 4.10794559 _cell_length_c 4.11874189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZnW2 _chemical_formula_sum 'Be1 Zn1 W2' _cell_volume 56.56556484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 0.00000000 2.05397279 2.05937094 1 W W2 1 1.67160197 0.00000000 2.05937094 1 Zn Zn3 1 1.67160197 2.05397279 0.00000000 1 [/CIF]
BeW2Zn
Pmmm
47
orthorhombic
mmm
12,977.473673
false
[CIF] data_Os2PtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83176337 _cell_length_b 3.95758937 _cell_length_c 6.30437933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os2PtPb _chemical_formula_sum 'Os2 Pt1 Pb1' _cell_volume 70.65290561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41588169 1.97879469 1.27689637 1 Os Os1 1 1.41588169 1.97879469 5.02748296 1 Pb Pb2 1 0.00000000 0.00000000 3.15218966 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2PbPt
Pmmm
47
orthorhombic
mmm
18,396.653044
false
[CIF] data_CaV3P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02067190 _cell_length_b 14.92012672 _cell_length_c 5.70091275 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV3P7 _chemical_formula_sum 'Ca4 V12 P28' _cell_volume 767.28338336 _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 Ca Ca0 1 8.63584553 11.19009504 3.85715872 1 Ca Ca1 1 4.89516232 3.73003168 1.00670235 1 Ca Ca2 1 0.38482637 3.73003168 1.84375403 1 Ca Ca3 1 4.12550958 11.19009504 4.69421040 1 P P4 1 3.37499058 11.19009504 1.86326802 1 P P5 1 1.13534537 3.73003168 4.71372440 1 P P6 1 5.64568132 3.73003168 3.83764473 1 P P7 1 7.88532653 11.19009504 0.98718835 1 P P8 1 8.69478353 7.00213304 1.06354866 1 P P9 1 4.83622432 7.91799368 3.91400503 1 P P10 1 0.32588837 14.46219640 4.63736409 1 P P11 1 4.18444758 0.45793032 1.78690772 1 P P12 1 0.32588837 7.91799368 4.63736409 1 P P13 1 4.18444758 7.00213304 1.78690772 1 P P14 1 8.69478353 0.45793032 1.06354866 1 P P15 1 4.83622432 14.46219640 3.91400503 1 P P16 1 1.82132327 9.32362837 5.39079541 1 P P17 1 2.68901268 5.59649835 2.54033904 1 P P18 1 7.19934863 1.86356501 0.31011734 1 P P19 1 6.33165922 13.05656171 3.16057371 1 P P20 1 7.19934863 5.59649835 0.31011734 1 P P21 1 6.33165922 9.32362837 3.16057371 1 P P22 1 1.82132327 13.05656171 5.39079541 1 P P23 1 2.68901268 1.86356501 2.54033904 1 P P24 1 1.76699429 9.30633460 2.18304322 1 P P25 1 2.74334166 5.61379212 5.03349960 1 P P26 1 7.25367761 1.84627124 3.51786953 1 P P27 1 6.27733024 13.07385548 0.66741315 1 P P28 1 7.25367761 5.61379212 3.51786953 1 P P29 1 6.27733024 9.30633460 0.66741315 1 P P30 1 1.76699429 13.07385548 2.18304322 1 P P31 1 2.74334166 1.84627124 5.03349960 1 V V32 1 1.14040525 11.19009504 1.00810808 1 V V33 1 3.36993070 3.73003168 3.85856445 1 V V34 1 7.88026665 3.73003168 4.69280467 1 V V35 1 5.65074120 11.19009504 1.84234830 1 V V36 1 1.99320532 7.17352158 0.80388975 1 V V37 1 2.51713063 7.74660514 3.65434613 1 V V38 1 7.02746658 14.63358494 4.89702300 1 V V39 1 6.50354127 0.28654178 2.04656662 1 V V40 1 7.02746658 7.74660514 4.89702300 1 V V41 1 6.50354127 7.17352158 2.04656662 1 V V42 1 1.99320532 0.28654178 0.80388975 1 V V43 1 2.51713063 14.63358494 3.65434613 1 [/CIF]
Ca4P28V12
Pnma
62
orthorhombic
mmm
3,546.820614
false
[CIF] data_TlReAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75375558 _cell_length_b 4.75375558 _cell_length_c 4.75375558 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlReAg2 _chemical_formula_sum 'Tl1 Re1 Ag2' _cell_volume 75.96185260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04211921 5.04211921 5.04211921 1 Ag Ag1 1 1.68070641 1.68070640 1.68070640 1 Re Re2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.36141281 3.36141281 3.36141281 1 [/CIF]
Ag2ReTl
Fm-3m
225
cubic
m-3m
13,254.405178
false
[CIF] data_La2HfAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67909775 _cell_length_b 5.67909775 _cell_length_c 3.47757137 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HfAg _chemical_formula_sum 'La2 Hf1 Ag1' _cell_volume 112.15915782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.83954888 2.83954888 0.00000000 1 La La2 1 2.83954888 0.00000000 1.73878569 1 La La3 1 0.00000000 2.83954888 1.73878569 1 [/CIF]
AgHfLa2
P4/mmm
123
tetragonal
4/mmm
8,352.638477
false
[CIF] data_CaMgSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36366409 _cell_length_b 3.36366409 _cell_length_c 9.88541796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgSb2 _chemical_formula_sum 'Ca1 Mg1 Sb2' _cell_volume 111.84595285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68183204 1.68183204 4.93334413 1 Mg Mg1 1 0.00000000 0.00000000 7.57959341 1 Sb Sb2 1 1.68183204 1.68183204 9.56503315 1 Sb Sb3 1 0.00000000 0.00000000 2.63557422 1 [/CIF]
CaMgSb2
P4mm
99
tetragonal
4mm
4,571.331793
false
[CIF] data_LaPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23815587 _cell_length_b 4.23815587 _cell_length_c 4.23815587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPt3 _chemical_formula_sum 'La1 Pt3' _cell_volume 76.12560816 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 2.11907793 2.11907793 1 Pt Pt2 1 2.11907793 2.11907793 0.00000000 1 Pt Pt3 1 2.11907793 0.00000000 2.11907793 1 [/CIF]
LaPt3
Pm-3m
221
cubic
m-3m
15,796.153205
false
[CIF] data_HfZrTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95555899 _cell_length_b 4.87175941 _cell_length_c 5.66317736 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.53142936 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrTa2 _chemical_formula_sum 'Hf1 Zr1 Ta2' _cell_volume 80.41709616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.00890068 0.00000000 2.79249836 1 Ta Ta1 1 -0.02227994 2.43587971 4.16779649 1 Ta Ta2 1 2.04008130 2.43587971 1.41720024 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfTa2Zr
P2/m
10
monoclinic
2/m
13,042.160577
false
[CIF] data_ZrVGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45630089 _cell_length_b 4.45630089 _cell_length_c 4.45630089 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrVGa _chemical_formula_sum 'Zr1 V1 Ga1' _cell_volume 62.57610440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 4.72662087 4.72662087 4.72662087 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.57554029 1.57554029 1.57554029 1 [/CIF]
GaVZr
F-43m
216
cubic
-43m
5,622.739469
false
[CIF] data_Ba2AlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24086220 _cell_length_b 4.24086220 _cell_length_c 8.32962914 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2AlSn _chemical_formula_sum 'Ba2 Al1 Sn1' _cell_volume 149.80764874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 2.12043110 2.12043110 2.06157080 1 Ba Ba2 1 2.12043110 2.12043110 6.26805834 1 Sn Sn3 1 0.00000000 0.00000000 4.16481457 1 [/CIF]
AlBa2Sn
P4/mmm
123
tetragonal
4/mmm
4,659.309416
false
[CIF] data_TcPdRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73717212 _cell_length_b 2.73717212 _cell_length_c 7.77503807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPdRh2 _chemical_formula_sum 'Tc1 Pd1 Rh2' _cell_volume 58.25144992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88751904 1 Rh Rh1 1 1.36858606 1.36858606 5.92405163 1 Rh Rh2 1 1.36858606 1.36858606 1.85098644 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdRh2Tc
P4/mmm
123
tetragonal
4/mmm
11,720.041017
false