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_NaP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45244506 _cell_length_b 3.45244506 _cell_length_c 8.95768525 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaP _chemical_formula_sum 'Na2 P2' _cell_volume 92.46555551 _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 Na Na0 1 1.72622253 0.99663504 7.42229285 1 Na Na1 1 -0.00000000 1.99327009 1.53539240 1 P P2 1 1.72622253 0.99663504 3.89866724 1 P P3 1 -0.00000000 1.99327009 5.05901801 1 [/CIF]
Na2P2
P-3m1
164
trigonal
-3m
1,938.203938
false
[CIF] data_CdSnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52761107 _cell_length_b 5.52761107 _cell_length_c 2.88601011 _cell_angle_alpha 100.46142541 _cell_angle_beta 100.46142541 _cell_angle_gamma 117.15453349 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSnW2 _chemical_formula_sum 'Cd1 Sn1 W2' _cell_volume 73.54886719 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 2.88181038 -0.00000000 0.00000000 1 W W2 1 0.93834000 -2.35847690 1.35266102 1 W W3 1 0.93834000 2.35847690 1.35266102 1 [/CIF]
CdSnW2
C2/m
12
monoclinic
2/m
13,519.344235
false
[CIF] data_GaCuGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73705117 _cell_length_b 4.73705117 _cell_length_c 4.73705117 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCuGe3 _chemical_formula_sum 'Ga1 Cu1 Ge3' _cell_volume 106.29778823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36852559 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 2.36852559 1 Ge Ge2 1 2.36852559 0.00000000 0.00000000 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 Ga Ga4 1 2.36852559 2.36852559 2.36852559 1 [/CIF]
CuGaGe3
Pm-3m
221
cubic
m-3m
5,486.125948
false
[CIF] data_Sr2InN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58915101 _cell_length_b 6.58915101 _cell_length_c 12.91074762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 131.68253701 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2InN2 _chemical_formula_sum 'Sr8 In4 N8' _cell_volume 418.63776919 _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 Sr Sr0 1 2.69671517 -0.44718908 11.07860628 1 Sr Sr1 1 2.69671517 0.44718908 1.83214134 1 Sr Sr2 1 2.69671517 -5.56485203 4.62323247 1 Sr Sr3 1 2.69671517 5.56485203 8.28751515 1 Sr Sr4 1 2.69671517 -4.31609457 12.27249668 1 Sr Sr5 1 2.69671517 4.31609457 0.63825094 1 Sr Sr6 1 2.69671517 -1.69594654 5.81712287 1 Sr Sr7 1 2.69671517 1.69594654 7.09362475 1 In In8 1 2.69671517 -2.84686379 8.76607616 1 In In9 1 2.69671517 2.84686379 4.14467146 1 In In10 1 2.69671517 -3.16517732 2.31070235 1 In In11 1 2.69671517 3.16517732 10.60004527 1 N N12 1 2.69671517 -0.75075556 8.25138430 1 N N13 1 2.69671517 0.75075556 4.65936332 1 N N14 1 2.69671517 -5.26128555 1.79601049 1 N N15 1 2.69671517 5.26128555 11.11473713 1 N N16 1 2.69671517 -4.16235791 7.10907065 1 N N17 1 2.69671517 4.16235791 5.80167697 1 N N18 1 2.69671517 -1.84968321 0.65369684 1 N N19 1 2.69671517 1.84968321 12.25705078 1 [/CIF]
In4N8Sr8
Cmce
64
orthorhombic
mmm
5,046.558381
false
[CIF] data_SiBMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19664266 _cell_length_b 4.19664266 _cell_length_c 4.19664266 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBMo2 _chemical_formula_sum 'Si1 B1 Mo2' _cell_volume 52.26259547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.96747448 2.96747448 2.96747448 1 Mo Mo2 1 4.45121172 4.45121172 4.45121172 1 Si Si3 1 1.48373724 1.48373724 1.48373724 1 [/CIF]
BMo2Si
F-43m
216
cubic
-43m
7,333.730979
false
[CIF] data_Ca2InSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26996316 _cell_length_b 6.26996316 _cell_length_c 6.26996316 _cell_angle_alpha 131.51823475 _cell_angle_beta 131.51823475 _cell_angle_gamma 70.99099532 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2InSe _chemical_formula_sum 'Ca2 In1 Se1' _cell_volume 135.31555154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.57428235 -0.00000000 2.55238020 1 Ca Ca1 1 -0.00000000 2.57428235 2.55238020 1 In In2 1 -0.00000000 -0.00000000 5.10476040 1 Se Se3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
Ca2InSe
I4/mmm
139
tetragonal
4/mmm
3,361.609981
false
[CIF] data_NaMnGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37820686 _cell_length_b 4.37820686 _cell_length_c 4.37820686 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnGaNi _chemical_formula_sum 'Na1 Mn1 Ga1 Ni1' _cell_volume 59.34359245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09585976 3.09585976 3.09585976 1 Mn Mn1 1 1.54792988 1.54792988 1.54792988 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 4.64378964 4.64378964 4.64378964 1 [/CIF]
GaMnNaNi
F-43m
216
cubic
-43m
5,773.877428
false
[CIF] data_SrLiCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97126377 _cell_length_b 4.97126377 _cell_length_c 4.97126377 _cell_angle_alpha 121.21289495 _cell_angle_beta 121.21289495 _cell_angle_gamma 87.91173633 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiCu2 _chemical_formula_sum 'Sr1 Li1 Cu2' _cell_volume 85.21901463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43992466 1.78934337 1 Cu Cu1 1 2.43992466 0.00000000 1.78934337 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 3.57868674 1 [/CIF]
Cu2LiSr
I4/mmm
139
tetragonal
4/mmm
4,319.029823
false
[CIF] data_MgCoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28486966 _cell_length_b 4.28486966 _cell_length_c 4.28486966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoP2 _chemical_formula_sum 'Mg1 Co1 P2' _cell_volume 55.62856388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02986039 3.02986039 3.02986039 1 Mg Mg1 1 -0.00000000 -0.00000000 0.00000000 1 P P2 1 4.54479059 4.54479059 4.54479059 1 P P3 1 1.51493020 1.51493020 1.51493020 1 [/CIF]
CoMgP2
Fm-3m
225
cubic
m-3m
4,333.862705
false
[CIF] data_MnInSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96840270 _cell_length_b 4.96840270 _cell_length_c 3.91991700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInSb2 _chemical_formula_sum 'Mn1 In1 Sb2' _cell_volume 96.76325067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.48420135 2.48420135 0.00000000 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 2.48420135 1.95995850 1 Sb Sb3 1 2.48420135 0.00000000 1.95995850 1 [/CIF]
InMnSb2
P4/mmm
123
tetragonal
4/mmm
7,092.16581
false
[CIF] data_KCuHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28870864 _cell_length_b 5.28870864 _cell_length_c 5.28870864 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuHg2 _chemical_formula_sum 'K1 Cu1 Hg2' _cell_volume 104.60054011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.73968174 3.73968174 3.73968174 1 Hg Hg1 1 5.60952261 5.60952261 5.60952261 1 Hg Hg2 1 1.86984087 1.86984087 1.86984087 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuHg2K
Fm-3m
225
cubic
m-3m
7,998.237217
false
[CIF] data_VZn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13813514 _cell_length_b 5.13813514 _cell_length_c 5.13813514 _cell_angle_alpha 117.36734985 _cell_angle_beta 117.36734985 _cell_angle_gamma 117.36734985 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZn3 _chemical_formula_sum 'V1 Zn3' _cell_volume 56.21850943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 -2.19478209 -1.26715803 0.84225946 1 Zn Zn2 1 0.00000000 2.53431607 0.84225946 1 Zn Zn3 1 2.19478209 -1.26715803 0.84225946 1 [/CIF]
VZn3
R-3m
166
trigonal
-3m
7,298.103196
false
[CIF] data_W3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20638566 _cell_length_b 4.20638566 _cell_length_c 4.20638566 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W3N4 _chemical_formula_sum 'W3 N4' _cell_volume 74.42644317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N N0 1 0.00000000 2.10319283 2.10319283 1 N N1 1 2.10319283 0.00000000 2.10319283 1 N N2 1 2.10319283 2.10319283 0.00000000 1 N N3 1 0.00000000 0.00000000 0.00000000 1 W W4 1 0.00000000 0.00000000 2.10319283 1 W W5 1 0.00000000 2.10319283 0.00000000 1 W W6 1 2.10319283 0.00000000 0.00000000 1 [/CIF]
N4W3
Pm-3m
221
cubic
m-3m
13,555.063942
false
[CIF] data_K2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81831742 _cell_length_b 4.81831742 _cell_length_c 6.79963170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CuAu _chemical_formula_sum 'K2 Cu1 Au1' _cell_volume 157.86149225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40915871 2.40915871 2.68503197 1 Cu Cu1 1 0.00000000 0.00000000 5.80764825 1 K K2 1 2.40915871 2.40915871 6.06852340 1 K K3 1 0.00000000 0.00000000 2.43787563 1 [/CIF]
AuCuK2
P4mm
99
tetragonal
4mm
3,562.868939
false
[CIF] data_CdOsPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82555099 _cell_length_b 4.82555099 _cell_length_c 5.11347718 _cell_angle_alpha 98.14813274 _cell_angle_beta 98.14813274 _cell_angle_gamma 33.59808863 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdOsPt2 _chemical_formula_sum 'Cd1 Os1 Pt2' _cell_volume 65.16407609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 4.24108947 -0.00000000 2.52856261 1 Pt Pt2 1 6.78890438 0.00000000 1.35221146 1 Pt Pt3 1 1.69327455 0.00000000 3.70491376 1 [/CIF]
CdOsPt2
C2/m
12
monoclinic
2/m
17,654.457476
false
[CIF] data_CoAg2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62347410 _cell_length_b 4.62347410 _cell_length_c 4.62347410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAg2Sn _chemical_formula_sum 'Co1 Ag2 Sn1' _cell_volume 69.88601708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.90393484 4.90393484 4.90393484 1 Ag Ag1 1 1.63464495 1.63464494 1.63464494 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.26928989 3.26928989 3.26928989 1 [/CIF]
Ag2CoSn
Fm-3m
225
cubic
m-3m
9,346.965427
false
[CIF] data_CoBiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92374245 _cell_length_b 4.92374245 _cell_length_c 5.18505842 _cell_angle_alpha 104.12279004 _cell_angle_beta 104.12279004 _cell_angle_gamma 40.53467507 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoBiAu2 _chemical_formula_sum 'Co1 Bi1 Au2' _cell_volume 78.88323605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09866902 0.00000000 0.06221801 1 Au Au1 1 1.30666928 0.00000000 3.97164217 1 Bi Bi2 1 3.82292986 0.00000000 2.35544722 1 Co Co3 1 6.60543421 -0.00000000 1.12057881 1 [/CIF]
Au2BiCo
Cm
8
monoclinic
m
13,932.26763
false
[CIF] data_Eu2Sc2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84783662 _cell_length_b 8.84783662 _cell_length_c 8.84783662 _cell_angle_alpha 55.99834609 _cell_angle_beta 140.45213504 _cell_angle_gamma 142.01053113 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu2Sc2O5 _chemical_formula_sum 'Eu4 Sc4 O10' _cell_volume 269.37055664 _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 Eu Eu0 1 9.48423419 0.16838267 -0.02878365 1 Eu Eu1 1 -1.67199819 2.82492733 2.85102135 1 Eu Eu2 1 -6.14023781 2.82492733 2.85102135 1 Eu Eu3 1 13.95247381 0.16838267 -0.02878365 1 Sc Sc4 1 0.00000000 2.99331000 0.00905699 1 Sc Sc5 1 0.00000000 0.00000000 2.88886199 1 Sc Sc6 1 3.90611800 2.57748835 -0.26134518 1 Sc Sc7 1 3.90611800 0.41582165 2.61845982 1 O O8 1 7.60987565 1.52484300 -1.45018628 1 O O9 1 0.20236035 1.46846700 1.42961872 1 O O10 1 7.60987565 1.46846700 1.42961872 1 O O11 1 8.01459635 -1.46846700 1.42961872 1 O O12 1 2.16130196 3.40838032 0.13706144 1 O O13 1 5.65093404 -0.41507032 3.01686644 1 O O14 1 2.16130196 -0.41507032 3.01686644 1 O O15 1 5.65093404 3.40838032 0.13706144 1 O O16 1 3.90611800 2.26243050 3.47280581 1 O O17 1 3.90611800 0.73087950 0.59300081 1 [/CIF]
Eu4O10Sc4
Ima2
46
orthorhombic
mm2
5,841.949226
false
[CIF] data_K2SnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.78295707 _cell_length_b 11.78295707 _cell_length_c 11.78295707 _cell_angle_alpha 18.96033233 _cell_angle_beta 18.96033233 _cell_angle_gamma 18.96033233 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SnHg _chemical_formula_sum 'K2 Sn1 Hg1' _cell_volume 150.92921695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -0.00000000 -0.00000000 17.35184208 1 K K1 1 -0.00000000 -0.00000000 8.71013089 1 K K2 1 0.00000000 -0.00000000 25.99355327 1 Sn Sn3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
HgK2Sn
R-3m
166
trigonal
-3m
4,373.299261
false
[CIF] data_CrInNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50298519 _cell_length_b 4.50298519 _cell_length_c 4.50298519 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrInNiAu _chemical_formula_sum 'Cr1 In1 Ni1 Au1' _cell_volume 64.56342433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77613704 4.77613704 4.77613704 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.59204568 1.59204568 1.59204568 1 Ni Ni3 1 3.18409136 3.18409136 3.18409136 1 [/CIF]
AuCrInNi
F-43m
216
cubic
-43m
10,865.822305
false
[CIF] data_LaPdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40989900 _cell_length_b 4.40989900 _cell_length_c 4.40989900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPdO3 _chemical_formula_sum 'La1 Pd1 O3' _cell_volume 85.76022836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20494950 2.20494950 2.20494950 1 O O1 1 2.20494950 2.20494950 0.00000000 1 O O2 1 2.20494950 0.00000000 2.20494950 1 O O3 1 0.00000000 2.20494950 2.20494950 1 Pd Pd4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaO3Pd
Pm-3m
221
cubic
m-3m
5,679.502288
false
[CIF] data_BeAlNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80099502 _cell_length_b 3.80099502 _cell_length_c 2.94204876 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.95724106 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlNi2 _chemical_formula_sum 'Be1 Al1 Ni2' _cell_volume 42.49950325 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.66516405 -0.00000000 0.00000000 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.33258203 -1.35503355 1.47102438 1 Ni Ni3 1 1.33258203 1.35503356 1.47102438 1 [/CIF]
AlBeNi2
Cmmm
65
orthorhombic
mmm
5,992.878199
false
[CIF] data_YInPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76843463 _cell_length_b 4.76843463 _cell_length_c 4.76843463 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YInPtRh _chemical_formula_sum 'Y1 In1 Pt1 Rh1' _cell_volume 76.66771171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37179246 3.37179246 3.37179246 1 Pt Pt1 1 5.05768869 5.05768869 5.05768869 1 Rh Rh2 1 1.68589623 1.68589623 1.68589623 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InPtRhY
F-43m
216
cubic
-43m
10,866.564285
false
[CIF] data_ZrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32455532 _cell_length_b 6.32455532 _cell_length_c 9.38083152 _cell_angle_alpha 127.35702948 _cell_angle_beta 127.35702948 _cell_angle_gamma 25.84193276 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi _chemical_formula_sum 'Zr4 Ni4' _cell_volume 128.00000000 _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 Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 2.59554274 -0.00000000 6.42364055 1 Ni Ni2 1 7.13774253 0.00000000 4.58831468 1 Ni Ni3 1 -0.64888568 -0.00000000 2.75298881 1 Zr Zr4 1 -1.29777137 -0.00000000 5.50597761 1 Zr Zr5 1 3.24442842 -0.00000000 3.67065174 1 Zr Zr6 1 7.78662821 0.00000000 1.83532587 1 Zr Zr7 1 3.89331411 -0.00000000 0.91766294 1 [/CIF]
Ni4Zr4
Cm
8
monoclinic
m
7,779.490608
false
[CIF] data_KBe3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52279211 _cell_length_b 4.52279211 _cell_length_c 4.52279211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBe3Au _chemical_formula_sum 'K1 Be3 Au1' _cell_volume 92.51664551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26139606 0.00000000 2.26139606 1 Be Be1 1 2.26139606 2.26139606 0.00000000 1 Be Be2 1 0.00000000 2.26139606 2.26139606 1 K K3 1 0.00000000 0.00000000 0.00000000 1 Au Au4 1 2.26139606 2.26139606 2.26139606 1 [/CIF]
AuBe3K
Pm-3m
221
cubic
m-3m
4,722.287278
false
[CIF] data_Pu2HfAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05025421 _cell_length_b 5.05025421 _cell_length_c 5.05025421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu2HfAs _chemical_formula_sum 'Pu2 Hf1 As1' _cell_volume 91.08035627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57106900 3.57106900 3.57106900 1 Pu Pu2 1 5.35660350 5.35660350 5.35660350 1 Pu Pu3 1 1.78553450 1.78553450 1.78553450 1 [/CIF]
AsHfPu2
Fm-3m
225
cubic
m-3m
13,517.107054
false
[CIF] data_CaMg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97566491 _cell_length_b 4.97566491 _cell_length_c 4.97566491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg2W _chemical_formula_sum 'Ca1 Mg2 W1' _cell_volume 87.10405571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 5.27748960 5.27748960 5.27748960 1 Mg Mg2 1 1.75916320 1.75916320 1.75916320 1 W W3 1 3.51832640 3.51832640 3.51832640 1 [/CIF]
CaMg2W
Fm-3m
225
cubic
m-3m
5,195.434209
false
[CIF] data_CoSi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82405109 _cell_length_b 3.95624121 _cell_length_c 5.20410723 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.05868278 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSi2Ag _chemical_formula_sum 'Co1 Si2 Ag1' _cell_volume 57.99773135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.22785701 0.00000000 2.59552788 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 0.72064071 1.97812061 1.02845404 1 Si Si3 1 1.73507330 1.97812061 4.16260172 1 [/CIF]
AgCoSi2
P2/m
10
monoclinic
2/m
6,383.945787
false
[CIF] data_ZnCrHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94338393 _cell_length_b 4.94338393 _cell_length_c 4.94338393 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCrHgPb _chemical_formula_sum 'Zn1 Cr1 Hg1 Pb1' _cell_volume 85.41969706 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 5.24325045 5.24325045 5.24325045 1 Pb Pb2 1 1.74775015 1.74775015 1.74775015 1 Zn Zn3 1 3.49550030 3.49550030 3.49550030 1 [/CIF]
CrHgPbZn
F-43m
216
cubic
-43m
10,209.10698
false
[CIF] data_TeAsPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71426937 _cell_length_b 4.71426937 _cell_length_c 4.71426937 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeAsPt2 _chemical_formula_sum 'Te1 As1 Pt2' _cell_volume 74.08464167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.66674592 1.66674592 1.66674592 1 Pt Pt2 1 5.00023776 5.00023776 5.00023776 1 Te Te3 1 3.33349184 3.33349184 3.33349184 1 [/CIF]
AsPt2Te
Fm-3m
225
cubic
m-3m
13,286.51915
false
[CIF] data_CuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64141522 _cell_length_b 4.25021649 _cell_length_c 5.07957817 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.37140271 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuW _chemical_formula_sum 'Cu2 W2' _cell_volume 56.41871541 _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 0.59745687 3.18766237 4.41301288 1 Cu Cu1 1 1.30442639 1.06255412 0.61244301 1 W W2 1 0.03832570 3.18766237 1.80071598 1 W W3 1 1.86355756 1.06255412 3.22473991 1 [/CIF]
Cu2W2
P2_1/m
11
monoclinic
2/m
14,562.335017
false
[CIF] data_AlRu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07999687 _cell_length_b 3.07999687 _cell_length_c 6.39490017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRu2Br _chemical_formula_sum 'Al1 Ru2 Br1' _cell_volume 60.66445748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 0.00000000 0.00000000 3.19745008 1 Ru Ru2 1 1.53999843 1.53999843 4.94299436 1 Ru Ru3 1 1.53999843 1.53999843 1.45190581 1 [/CIF]
AlBrRu2
P4/mmm
123
tetragonal
4/mmm
8,458.884367
false
[CIF] data_NbTlPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31065000 _cell_length_b 4.81585722 _cell_length_c 6.52048105 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.27470897 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTlPb2 _chemical_formula_sum 'Nb1 Tl1 Pb2' _cell_volume 103.67085386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.40656545 2.40792861 1.51244324 1 Pb Pb2 1 1.41805734 2.40792861 4.98989870 1 Tl Tl3 1 -0.24301360 0.00000000 3.25117097 1 [/CIF]
NbPb2Tl
P2/m
10
monoclinic
2/m
11,399.428798
false
[CIF] data_ScSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14551886 _cell_length_b 5.14551886 _cell_length_c 5.14551886 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSb _chemical_formula_sum 'Sc2 Sb2' _cell_volume 96.33243226 _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 Sb Sb0 1 3.63843128 3.63843128 3.63843128 1 Sb Sb1 1 5.45764692 5.45764692 5.45764692 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 1.81921564 1.81921564 1.81921564 1 [/CIF]
Sb2Sc2
Fd-3m
227
cubic
m-3m
5,747.561406
false
[CIF] data_KReB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50318642 _cell_length_b 4.50318642 _cell_length_c 2.55321927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.64415593 _symmetry_Int_Tables_number 1 _chemical_formula_structural KReB2 _chemical_formula_sum 'K1 Re1 B2' _cell_volume 51.77266468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58314192 1.60104143 1.27660964 1 B B1 1 1.58314192 -1.60104143 1.27660964 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.16628384 -0.00000000 0.00000000 1 [/CIF]
B2KRe
Cmmm
65
orthorhombic
mmm
7,919.863326
false
[CIF] data_TlAgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57458751 _cell_length_b 4.57458751 _cell_length_c 4.57458751 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAgPd _chemical_formula_sum 'Tl1 Ag1 Pd1' _cell_volume 67.69254184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.23472185 3.23472185 3.23472185 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 4.85208278 4.85208278 4.85208278 1 [/CIF]
AgPdTl
F-43m
216
cubic
-43m
10,270.265571
false
[CIF] data_Ta2TcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02742146 _cell_length_b 4.52171134 _cell_length_c 5.13617484 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.40515837 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TcAu _chemical_formula_sum 'Ta2 Tc1 Au1' _cell_volume 69.55455978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.67886651 2.26085567 4.02375991 1 Ta Ta1 1 2.20408662 0.00000000 4.85018374 1 Ta Ta2 1 2.13687993 2.26085567 1.65875886 1 Tc Tc3 1 0.67180704 0.00000000 2.16981773 1 [/CIF]
AuTa2Tc
Pm
6
monoclinic
m
15,703.504453
false
[CIF] data_CaLaMgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16710443 _cell_length_b 5.16710443 _cell_length_c 5.16710443 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaMgPd _chemical_formula_sum 'Ca1 La1 Mg1 Pd1' _cell_volume 97.54987529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.48054187 5.48054187 5.48054187 1 La La1 1 3.65369458 3.65369458 3.65369458 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.82684729 1.82684729 1.82684729 1 [/CIF]
CaLaMgPd
F-43m
216
cubic
-43m
5,272.00073
false
[CIF] data_YPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90601900 _cell_length_b 4.90601900 _cell_length_c 4.90601900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPb3 _chemical_formula_sum 'Y1 Pb3' _cell_volume 118.08308134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.45300950 2.45300950 0.00000000 1 Pb Pb2 1 2.45300950 0.00000000 2.45300950 1 Pb Pb3 1 0.00000000 2.45300950 2.45300950 1 [/CIF]
Pb3Y
Pm-3m
221
cubic
m-3m
9,991.462854
false
[CIF] data_ZnCuSnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03137945 _cell_length_b 5.03137945 _cell_length_c 5.03137945 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuSnTe _chemical_formula_sum 'Zn1 Cu1 Sn1 Te1' _cell_volume 90.06296031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.55772253 3.55772253 3.55772253 1 Te Te2 1 1.77886127 1.77886127 1.77886127 1 Zn Zn3 1 5.33658380 5.33658380 5.33658380 1 [/CIF]
CuSnTeZn
F-43m
216
cubic
-43m
6,918.427232
false
[CIF] data_HfGa2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70341817 _cell_length_b 8.70341817 _cell_length_c 8.70341817 _cell_angle_alpha 20.70993638 _cell_angle_beta 20.70993638 _cell_angle_gamma 20.70993638 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGa2Rh _chemical_formula_sum 'Hf1 Ga2 Rh1' _cell_volume 72.18003752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 25.40742036 1 Ga Ga1 1 0.00000000 -0.00000000 19.10972945 1 Hf Hf2 1 -0.00000000 -0.00000000 12.94334087 1 Rh Rh3 1 -0.00000000 -0.00000000 6.39369056 1 [/CIF]
Ga2HfRh
R3m
160
trigonal
3m
9,681.676191
false
[CIF] data_Y2HfNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55644443 _cell_length_b 5.55644443 _cell_length_c 5.55644443 _cell_angle_alpha 129.52198836 _cell_angle_beta 129.52198836 _cell_angle_gamma 74.17210985 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2HfNb _chemical_formula_sum 'Y2 Hf1 Nb1' _cell_volume 99.52491368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36924113 0.00000000 2.21627321 1 Nb Nb1 1 0.00000000 0.00000000 4.43254641 1 Y Y2 1 0.00000000 2.36924113 2.21627321 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNbY2
I-4m2
119
tetragonal
-42m
7,494.882822
false
[CIF] data_FeReW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05196760 _cell_length_b 4.05196760 _cell_length_c 4.05196760 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeReW _chemical_formula_sum 'Fe1 Re1 W1' _cell_volume 47.04168783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.43258688 1.43258688 1.43258689 1 W W2 1 4.29776066 4.29776066 4.29776066 1 [/CIF]
FeReW
F-43m
216
cubic
-43m
15,033.693237
false
[CIF] data_LiCaZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44621240 _cell_length_b 3.44621240 _cell_length_c 6.80814088 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaZn2 _chemical_formula_sum 'Li1 Ca1 Zn2' _cell_volume 80.85606754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40407044 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.72310620 1.72310620 1.33535107 1 Zn Zn3 1 1.72310620 1.72310620 5.47278981 1 [/CIF]
CaLiZn2
P4/mmm
123
tetragonal
4/mmm
3,651.042942
false
[CIF] data_AlCd2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11819059 _cell_length_b 7.11819059 _cell_length_c 7.11819059 _cell_angle_alpha 157.23790660 _cell_angle_beta 147.97456015 _cell_angle_gamma 39.65221245 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCd2Co _chemical_formula_sum 'Al1 Cd2 Co1' _cell_volume 73.87647228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.40465432 0.00000000 4.35097625 1 Cd Cd2 1 -0.00000000 1.96355824 2.34529306 1 Co Co3 1 -0.00000000 0.00000000 6.69626931 1 [/CIF]
AlCd2Co
Immm
71
orthorhombic
mmm
6,984.598812
false
[CIF] data_CaSbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00778853 _cell_length_b 4.36393379 _cell_length_c 6.65461470 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.40365932 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSbW2 _chemical_formula_sum 'Ca1 Sb1 W2' _cell_volume 86.61885676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.12644304 0.00000000 3.26589133 1 Sb Sb1 1 -0.27801181 2.18196689 5.12579410 1 W W2 1 0.14952224 0.00000000 0.24473287 1 W W3 1 2.22746950 2.18196689 1.26228388 1 [/CIF]
CaSbW2
Pm
6
monoclinic
m
10,151.199847
false
[CIF] data_VSiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18251158 _cell_length_b 4.18251158 _cell_length_c 4.18251158 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSiGe _chemical_formula_sum 'V1 Si1 Ge1' _cell_volume 51.73643006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95748230 2.95748230 2.95748230 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.43622345 4.43622345 4.43622345 1 [/CIF]
GeSiV
F-43m
216
cubic
-43m
4,867.923401
false
[CIF] data_CdGeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63594787 _cell_length_b 5.63594787 _cell_length_c 3.45381801 _cell_angle_alpha 107.53461971 _cell_angle_beta 107.53461971 _cell_angle_gamma 104.42137904 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGeCl2 _chemical_formula_sum 'Cd1 Ge1 Cl2' _cell_volume 92.51985208 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.45348131 -0.00000000 0.00000000 1 Cl Cl1 1 0.87765304 -2.22695842 1.50375029 1 Cl Cl2 1 0.87765304 2.22695842 1.50375029 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCl2Ge
C2/m
12
monoclinic
2/m
4,593.896211
false
[CIF] data_PaNb2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70201051 _cell_length_b 4.70201051 _cell_length_c 4.70201051 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaNb2Tc _chemical_formula_sum 'Pa1 Nb2 Tc1' _cell_volume 73.50819989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66241176 1.66241176 1.66241176 1 Nb Nb1 1 4.98723527 4.98723527 4.98723527 1 Pa Pa2 1 3.32482351 3.32482351 3.32482351 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2PaTc
Fm-3m
225
cubic
m-3m
11,650.823471
false
[CIF] data_CaSiTeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23186250 _cell_length_b 5.23186250 _cell_length_c 5.23186250 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSiTeSe _chemical_formula_sum 'Ca1 Si1 Te1 Se1' _cell_volume 101.26374074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.54922818 5.54922818 5.54922818 1 Se Se1 1 1.84974273 1.84974273 1.84974273 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.69948545 3.69948545 3.69948545 1 [/CIF]
CaSeSiTe
F-43m
216
cubic
-43m
4,504.960027
false
[CIF] data_Ca2ScOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07841516 _cell_length_b 5.07841516 _cell_length_c 5.07841516 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ScOs _chemical_formula_sum 'Ca2 Sc1 Os1' _cell_volume 92.61249998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79549090 1.79549090 1.79549090 1 Ca Ca1 1 5.38647270 5.38647270 5.38647270 1 Os Os2 1 3.59098180 3.59098180 3.59098180 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2OsSc
Fm-3m
225
cubic
m-3m
5,654.070069
false
[CIF] data_Ba2SmMoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08592670 _cell_length_b 6.08592670 _cell_length_c 6.08592670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SmMoO6 _chemical_formula_sum 'Ba2 Sm1 Mo1 O6' _cell_volume 159.39149877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15170002 2.15170002 2.15170002 1 Ba Ba1 1 6.45510006 6.45510006 6.45510006 1 Sm Sm2 1 4.30340004 4.30340004 4.30340004 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 O O4 1 4.30340004 4.30340004 2.00350073 1 O O5 1 4.30340004 6.60329935 4.30340004 1 O O6 1 6.60329935 4.30340004 4.30340004 1 O O7 1 4.30340004 4.30340004 6.60329935 1 O O8 1 4.30340004 2.00350073 4.30340004 1 O O9 1 2.00350073 4.30340004 4.30340004 1 [/CIF]
Ba2MoO6Sm
Fm-3m
225
cubic
m-3m
6,427.591559
false
[CIF] data_Y2CoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98996634 _cell_length_b 4.98996634 _cell_length_c 4.98996634 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CoPb _chemical_formula_sum 'Y2 Co1 Pb1' _cell_volume 87.85729980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.76421952 1.76421952 1.76421952 1 Y Y2 1 3.52843904 3.52843904 3.52843904 1 Y Y3 1 5.29265856 5.29265856 5.29265856 1 [/CIF]
CoPbY2
F-43m
216
cubic
-43m
8,390.740931
false
[CIF] data_Na2POs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53609287 _cell_length_b 5.53609287 _cell_length_c 2.46002763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2POs _chemical_formula_sum 'Na2 P1 Os1' _cell_volume 75.39572451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 2.76804644 1.23001381 1 Na Na1 1 2.76804644 0.00000000 1.23001381 1 Os Os2 1 2.76804644 2.76804644 0.00000000 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2OsP
P4/mmm
123
tetragonal
4/mmm
5,884.528751
false
[CIF] data_HfBeTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58951200 _cell_length_b 4.58951200 _cell_length_c 4.58951200 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeTl _chemical_formula_sum 'Hf1 Be1 Tl1' _cell_volume 68.35724206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 -0.00000000 0.00000000 1 Hf Hf1 1 1.62263753 1.62263753 1.62263753 1 Tl Tl2 1 3.24527506 3.24527506 3.24527506 1 [/CIF]
BeHfTl
F-43m
216
cubic
-43m
9,519.710464
false
[CIF] data_Cd2TeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99716486 _cell_length_b 5.99716486 _cell_length_c 5.99716486 _cell_angle_alpha 145.74020068 _cell_angle_beta 127.84921371 _cell_angle_gamma 63.89107795 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2TeP _chemical_formula_sum 'Cd2 Te1 P1' _cell_volume 94.78305715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 10.16705238 1 Cd Cd1 1 1.76639932 -0.00000000 2.92184785 1 P P2 1 0.00000000 -0.00000000 5.15820706 1 Te Te3 1 0.00000000 2.63607452 2.10850359 1 [/CIF]
Cd2PTe
Imm2
44
orthorhombic
mm2
6,716.850668
false
[CIF] data_BaLi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88245231 _cell_length_b 4.86615916 _cell_length_c 5.14636792 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.69501249 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi2Au _chemical_formula_sum 'Ba1 Li2 Au1' _cell_volume 119.73317509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91963648 0.00000000 2.51976584 1 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 0.94455773 2.43307958 3.36075568 1 Li Li3 1 2.89471523 2.43307958 1.67877600 1 [/CIF]
AuBaLi2
P2/m
10
monoclinic
2/m
4,828.729664
false
[CIF] data_Ba3AgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32261868 _cell_length_b 6.32261868 _cell_length_c 6.32261868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3AgTe _chemical_formula_sum 'Ba3 Ag1 Te1' _cell_volume 252.74988713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 3.16130934 3.16130934 3.16130934 1 Ba Ba1 1 0.00000000 3.16130934 0.00000000 1 Ba Ba2 1 0.00000000 0.00000000 3.16130934 1 Ba Ba3 1 3.16130934 0.00000000 0.00000000 1 Ag Ag4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBa3Te
Pm-3m
221
cubic
m-3m
4,253.670308
false
[CIF] data_ScZn2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04120727 _cell_length_b 5.04120727 _cell_length_c 5.04120727 _cell_angle_alpha 134.55704843 _cell_angle_beta 134.55704843 _cell_angle_gamma 66.21923079 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZn2Tc _chemical_formula_sum 'Sc1 Zn2 Tc1' _cell_volume 64.04059984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 1.94717540 0.00000000 2.11132581 1 Zn Zn2 1 0.00000000 -0.00000000 4.22265161 1 Zn Zn3 1 -0.00000000 1.94717540 2.11132581 1 [/CIF]
ScTcZn2
I-4m2
119
tetragonal
-42m
7,120.806905
false
[CIF] data_GaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.13031178 _cell_length_b 9.13031178 _cell_length_c 9.13031178 _cell_angle_alpha 24.13885554 _cell_angle_beta 24.13885554 _cell_angle_gamma 24.13885554 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSe _chemical_formula_sum 'Ga2 Se2' _cell_volume 111.86638289 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000000 -0.00000000 25.34023751 1 Ga Ga1 1 -0.00000000 -0.00000000 1.23121184 1 Se Se2 1 0.00000000 -0.00000000 6.44693034 1 Se Se3 1 0.00000000 0.00000000 11.26484408 1 [/CIF]
Ga2Se2
R3m
160
trigonal
3m
4,414.086243
false
[CIF] data_TbNpPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86567813 _cell_length_b 4.86567813 _cell_length_c 4.86567813 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbNpPd2 _chemical_formula_sum 'Tb1 Np1 Pd2' _cell_volume 81.45450922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Np Np0 1 3.44055400 3.44055400 3.44055400 1 Pd Pd1 1 1.72027700 1.72027700 1.72027700 1 Pd Pd2 1 5.16083100 5.16083100 5.16083100 1 Tb Tb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NpPd2Tb
Fm-3m
225
cubic
m-3m
12,410.346041
false
[CIF] data_CaTa2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42589511 _cell_length_b 3.42589511 _cell_length_c 7.08192235 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa2Si _chemical_formula_sum 'Ca1 Ta2 Si1' _cell_volume 83.11880412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71294756 1.71294756 3.66549678 1 Si Si1 1 0.00000000 0.00000000 5.70942292 1 Ta Ta2 1 1.71294756 1.71294756 7.01748543 1 Ta Ta3 1 0.00000000 0.00000000 1.31240082 1 [/CIF]
CaSiTa2
P4mm
99
tetragonal
4mm
8,591.689889
false
[CIF] data_Mg2CdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41606006 _cell_length_b 3.41606006 _cell_length_c 8.02116193 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CdBr _chemical_formula_sum 'Mg2 Cd1 Br1' _cell_volume 93.60267882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 0.00000000 0.00000000 4.01058096 1 Mg Mg2 1 1.70803003 1.70803003 5.87328840 1 Mg Mg3 1 1.70803003 1.70803003 2.14787353 1 [/CIF]
BrCdMg2
P4/mmm
123
tetragonal
4/mmm
4,274.271793
false
[CIF] data_GaReSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25443193 _cell_length_b 3.25443193 _cell_length_c 5.32893606 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaReSi2 _chemical_formula_sum 'Ga1 Re1 Si2' _cell_volume 56.44050537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 0.00000000 0.00000000 2.66446803 1 Si Si2 1 1.62721596 1.62721596 3.99075970 1 Si Si3 1 1.62721596 1.62721596 1.33817636 1 [/CIF]
GaReSi2
P4/mmm
123
tetragonal
4/mmm
9,182.445438
false
[CIF] data_NaAlOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34663559 _cell_length_b 4.34663559 _cell_length_c 4.34663559 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlOs _chemical_formula_sum 'Na1 Al1 Os1' _cell_volume 58.06904674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.07353550 3.07353550 3.07353550 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.61030325 4.61030325 4.61030325 1 [/CIF]
AlNaOs
F-43m
216
cubic
-43m
6,868.782561
false
[CIF] data_Ca2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80490445 _cell_length_b 5.80490445 _cell_length_c 5.80490445 _cell_angle_alpha 136.13132844 _cell_angle_beta 136.13132844 _cell_angle_gamma 63.77736464 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CuAu _chemical_formula_sum 'Ca2 Cu1 Au1' _cell_volume 92.69893412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 2.16838573 2.46440268 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 2.16838573 -0.00000000 2.46440268 1 Cu Cu3 1 0.00000000 0.00000000 4.92880536 1 [/CIF]
AuCa2Cu
I-4m2
119
tetragonal
-42m
6,102.480821
false
[CIF] data_KTaTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11421507 _cell_length_b 3.11421507 _cell_length_c 10.38729798 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaTl2 _chemical_formula_sum 'K1 Ta1 Tl2' _cell_volume 100.73950077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 0.00000000 0.00000000 5.19364899 1 Tl Tl2 1 1.55710754 1.55710754 7.50164220 1 Tl Tl3 1 1.55710754 1.55710754 2.88565578 1 [/CIF]
KTaTl2
P4/mmm
123
tetragonal
4/mmm
10,365.032373
false
[CIF] data_ScIr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04535556 _cell_length_b 4.04535556 _cell_length_c 3.93710580 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScIr2Au _chemical_formula_sum 'Sc1 Ir2 Au1' _cell_volume 64.43034903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02267778 2.02267778 0.00000000 1 Ir Ir1 1 2.02267778 0.00000000 1.96855290 1 Ir Ir2 1 0.00000000 2.02267778 1.96855290 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuIr2Sc
P4/mmm
123
tetragonal
4/mmm
16,142.849169
false
[CIF] data_KMgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62968332 _cell_length_b 5.62968332 _cell_length_c 5.62968332 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgIn _chemical_formula_sum 'K1 Mg1 In1' _cell_volume 126.16442093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.98078725 3.98078725 3.98078725 1 K K1 1 1.99039363 1.99039363 1.99039363 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InKMg
F-43m
216
cubic
-43m
2,345.696425
false
[CIF] data_LiHg2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43111978 _cell_length_b 3.43111978 _cell_length_c 6.35838129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHg2Pd _chemical_formula_sum 'Li1 Hg2 Pd1' _cell_volume 74.85457113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 6.12290977 1 Hg Hg1 1 1.71555989 1.71555989 1.81796015 1 Li Li2 1 0.00000000 0.00000000 3.30327337 1 Pd Pd3 1 1.71555989 1.71555989 4.65180994 1 [/CIF]
Hg2LiPd
P4mm
99
tetragonal
4mm
11,414.33875
false
[CIF] data_NaCaNbV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91913908 _cell_length_b 4.91913908 _cell_length_c 4.91913908 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaNbV _chemical_formula_sum 'Na1 Ca1 Nb1 V1' _cell_volume 84.16902699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73917830 1.73917830 1.73917830 1 Na Na1 1 0.00000000 -0.00000000 0.00000000 1 Nb Nb2 1 5.21753490 5.21753490 5.21753490 1 V V3 1 3.47835660 3.47835660 3.47835660 1 [/CIF]
CaNaNbV
F-43m
216
cubic
-43m
4,082.160997
false
[CIF] data_ZrCdRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63062982 _cell_length_b 4.63062982 _cell_length_c 4.63062982 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdRuRh _chemical_formula_sum 'Zr1 Cd1 Ru1 Rh1' _cell_volume 70.21100603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63717488 1.63717488 1.63717488 1 Rh Rh1 1 3.27434975 3.27434975 3.27434975 1 Ru Ru2 1 4.91152463 4.91152463 4.91152463 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdRhRuZr
F-43m
216
cubic
-43m
9,640.271482
false
[CIF] data_HfGaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50682760 _cell_length_b 7.50682760 _cell_length_c 7.50682760 _cell_angle_alpha 156.06712335 _cell_angle_beta 156.06712335 _cell_angle_gamma 34.10180582 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaSb _chemical_formula_sum 'Hf1 Ga1 Sb1' _cell_volume 69.54536657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.95636725 1 Hf Hf1 1 -0.00000000 0.00000000 4.92748489 1 Sb Sb2 1 0.00000000 0.00000000 9.82359670 1 [/CIF]
GaHfSb
I4mm
107
tetragonal
4mm
8,833.868457
false
[CIF] data_Sn2PbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54818814 _cell_length_b 5.49669339 _cell_length_c 6.40714096 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.76208855 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2PbBr _chemical_formula_sum 'Sn2 Pb1 Br1' _cell_volume 120.83573881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.71349186 0.00000000 3.60413464 1 Pb Pb1 1 -0.84607723 2.74834670 4.19816459 1 Sn Sn2 1 0.56021568 0.00000000 0.68954577 1 Sn Sn3 1 2.44578520 2.74834670 0.80163800 1 [/CIF]
BrPbSn2
Pm
6
monoclinic
m
7,208.071072
false
[CIF] data_LiFeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25401170 _cell_length_b 4.25401170 _cell_length_c 4.25401170 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeAs2 _chemical_formula_sum 'Li1 Fe1 As2' _cell_volume 54.43535282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50402026 1.50402026 1.50402026 1 As As1 1 4.51206078 4.51206078 4.51206078 1 Fe Fe2 1 3.00804052 3.00804052 3.00804052 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2FeLi
Fm-3m
225
cubic
m-3m
6,486.209329
false
[CIF] data_CaAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27741882 _cell_length_b 5.25185243 _cell_length_c 4.98987154 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.98828007 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAg2As _chemical_formula_sum 'Ca1 Ag2 As1' _cell_volume 85.83655405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.86666010 2.62592621 3.71928871 1 Ag Ag1 1 2.23763478 2.62592621 1.26757865 1 As As2 1 1.55214744 0.00000000 2.49343368 1 Ca Ca3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AsCa
P2/m
10
monoclinic
2/m
6,398.20709
false
[CIF] data_BaZr2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64663096 _cell_length_b 5.64663096 _cell_length_c 5.64663096 _cell_angle_alpha 130.87810179 _cell_angle_beta 130.87810179 _cell_angle_gamma 72.00682138 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZr2Zn _chemical_formula_sum 'Ba1 Zr2 Zn1' _cell_volume 100.65737589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34708422 2.28401142 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 2.34708422 0.00000000 2.28401142 1 Zr Zr3 1 0.00000000 -0.00000000 4.56802283 1 [/CIF]
BaZnZr2
I-4m2
119
tetragonal
-42m
6,353.880365
false
[CIF] data_Ta4PdSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46046585 _cell_length_b 5.46046585 _cell_length_c 5.46046585 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4PdSe _chemical_formula_sum 'Ta4 Pd1 Se1' _cell_volume 115.12617823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.79169865 5.79169865 5.79169865 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.82143635 4.82143635 2.90082851 1 Ta Ta3 1 4.82143635 2.90082851 4.82143635 1 Ta Ta4 1 2.90082851 4.82143635 4.82143635 1 Ta Ta5 1 2.90082851 2.90082851 2.90082851 1 [/CIF]
PdSeTa4
F-43m
216
cubic
-43m
13,113.566788
false
[CIF] data_BaTi2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13964963 _cell_length_b 3.22838310 _cell_length_c 8.40989787 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.36349509 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi2Cr _chemical_formula_sum 'Ba1 Ti2 Cr1' _cell_volume 84.10688454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.68413406 0.00000000 4.14892229 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.45199967 1.61419155 1.32552333 1 Ti Ti3 1 0.31938183 1.61419155 6.97232124 1 [/CIF]
BaCrTi2
P2/m
10
monoclinic
2/m
5,627.939417
false
[CIF] data_K2ZrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59409835 _cell_length_b 5.59409835 _cell_length_c 5.59409835 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ZrSe _chemical_formula_sum 'K2 Zr1 Se1' _cell_volume 123.78707335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 K K1 1 5.93343732 5.93343732 5.93343732 1 Se Se2 1 3.95562488 3.95562488 3.95562488 1 Zr Zr3 1 1.97781244 1.97781244 1.97781244 1 [/CIF]
K2SeZr
F-43m
216
cubic
-43m
3,331.896284
false
[CIF] data_YCrFePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92001510 _cell_length_b 4.92001510 _cell_length_c 4.92001510 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCrFePb _chemical_formula_sum 'Y1 Cr1 Fe1 Pb1' _cell_volume 84.21400250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.21846406 5.21846406 5.21846406 1 Pb Pb2 1 3.47897604 3.47897604 3.47897604 1 Y Y3 1 1.73948802 1.73948802 1.73948802 1 [/CIF]
CrFePbY
F-43m
216
cubic
-43m
7,965.061289
false
[CIF] data_Sc2ZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63123752 _cell_length_b 5.63123752 _cell_length_c 5.63123752 _cell_angle_alpha 146.93969509 _cell_angle_beta 131.10713135 _cell_angle_gamma 60.29292706 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ZnCu _chemical_formula_sum 'Sc2 Zn1 Cu1' _cell_volume 72.72887464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.13352236 1 Sc Sc1 1 -0.00000000 2.33044452 4.61566919 1 Sc Sc2 1 0.00000000 -0.00000000 2.54581800 1 Zn Zn3 1 -0.00000000 2.33044452 0.31373446 1 [/CIF]
CuSc2Zn
Imm2
44
orthorhombic
mm2
4,996.485341
false
[CIF] data_NaZn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14211168 _cell_length_b 3.14211168 _cell_length_c 7.00561867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZn2Ni _chemical_formula_sum 'Na1 Zn2 Ni1' _cell_volume 69.16553304 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 3.64318120 1 Ni Ni1 1 1.57105584 1.57105584 5.79632797 1 Zn Zn2 1 0.00000000 0.00000000 6.71886672 1 Zn Zn3 1 1.57105584 1.57105584 1.35567079 1 [/CIF]
NaNiZn2
P4mm
99
tetragonal
4mm
5,100.375382
false
[CIF] data_LiZnAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32661766 _cell_length_b 4.32661766 _cell_length_c 4.32661766 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnAgRu _chemical_formula_sum 'Li1 Zn1 Ag1 Ru1' _cell_volume 57.27044521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52969035 1.52969035 1.52969035 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.58907103 4.58907103 4.58907103 1 Zn Zn3 1 3.05938069 3.05938069 3.05938069 1 [/CIF]
AgLiRuZn
F-43m
216
cubic
-43m
8,155.024598
false
[CIF] data_BeCrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69537659 _cell_length_b 3.79180823 _cell_length_c 4.92611227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.83952401 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrOs2 _chemical_formula_sum 'Be1 Cr1 Os2' _cell_volume 50.34119264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.02924563 0.00000000 2.45745246 1 Cr Cr1 1 1.25932798 1.89590412 3.62470240 1 Os Os2 1 -0.06427697 0.00000000 4.87365290 1 Os Os3 1 1.34912856 1.89590412 1.35815093 1 [/CIF]
BeCrOs2
Pm
6
monoclinic
m
14,562.136703
false
[CIF] data_AlIrPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39369518 _cell_length_b 4.39369518 _cell_length_c 4.39369518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIrPtW _chemical_formula_sum 'Al1 Ir1 Pt1 W1' _cell_volume 59.97562373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy W W0 1 1.55340583 1.55340583 1.55340583 1 Ir Ir1 1 4.66021748 4.66021748 4.66021748 1 Pt Pt2 1 3.10681166 3.10681166 3.10681166 1 Al Al3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlIrPtW
F-43m
216
cubic
-43m
16,560.158614
false
[CIF] data_Zr2AlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89341963 _cell_length_b 4.89341963 _cell_length_c 3.44825153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2AlCd _chemical_formula_sum 'Zr2 Al1 Cd1' _cell_volume 82.57029899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 2.44670982 2.44670982 0.00000000 1 Zr Zr2 1 2.44670982 0.00000000 1.72412576 1 Zr Zr3 1 0.00000000 2.44670982 1.72412576 1 [/CIF]
AlCdZr2
P4/mmm
123
tetragonal
4/mmm
6,472.409499
false
[CIF] data_LaNi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14791904 _cell_length_b 3.14791904 _cell_length_c 6.63635096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNi2Pd _chemical_formula_sum 'La1 Ni2 Pd1' _cell_volume 65.76221826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 3.31817548 1 Ni Ni1 1 1.57395952 1.57395952 5.19917609 1 Ni Ni2 1 1.57395952 1.57395952 1.43717487 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaNi2Pd
P4/mmm
123
tetragonal
4/mmm
9,158.722291
false
[CIF] data_NaYRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12196872 _cell_length_b 3.12196872 _cell_length_c 9.31157365 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYRe2 _chemical_formula_sum 'Na1 Y1 Re2' _cell_volume 90.75700957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 7.46805042 1 Re Re1 1 1.56098436 1.56098436 0.57843058 1 Re Re2 1 0.00000000 0.00000000 1.90446701 1 Y Y3 1 1.56098436 1.56098436 4.01641246 1 [/CIF]
NaRe2Y
P4mm
99
tetragonal
4mm
8,861.189312
false
[CIF] data_NaTiTlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21071863 _cell_length_b 5.21071863 _cell_length_c 5.21071863 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiTlBi _chemical_formula_sum 'Na1 Ti1 Tl1 Bi1' _cell_volume 100.04096464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84226724 1.84226724 1.84226724 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 3.68453448 3.68453448 3.68453448 1 Tl Tl3 1 5.52680172 5.52680172 5.52680172 1 [/CIF]
BiNaTiTl
F-43m
216
cubic
-43m
8,037.377578
false
[CIF] data_AlTeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42571400 _cell_length_b 4.42571400 _cell_length_c 3.34275792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTeRh2 _chemical_formula_sum 'Al1 Te1 Rh2' _cell_volume 65.47441355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 0.00000000 2.21285700 1.67137896 1 Rh Rh2 1 2.21285700 0.00000000 1.67137896 1 Te Te3 1 2.21285700 2.21285700 0.00000000 1 [/CIF]
AlRh2Te
P4/mmm
123
tetragonal
4/mmm
9,140.14891
false
[CIF] data_HfPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58400118 _cell_length_b 3.58400118 _cell_length_c 7.12206794 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPd _chemical_formula_sum 'Hf2 Pd2' _cell_volume 79.22696729 _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 Hf Hf0 1 0.00000000 0.00000000 3.56103397 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.79200059 1.03461202 5.34155095 1 Pd Pd3 1 -0.00000000 2.06922405 1.78051698 1 [/CIF]
Hf2Pd2
P6_3/mmc
194
hexagonal
6/mmm
11,943.008842
false
[CIF] data_VAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34960051 _cell_length_b 4.34960051 _cell_length_c 2.72795584 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAgRu _chemical_formula_sum 'V1 Ag1 Ru1' _cell_volume 44.69579939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.17480028 1.25562150 2.66433590 1 Ru Ru1 1 0.00000002 2.51124301 1.10753032 1 V V2 1 0.00000000 0.00000000 1.68404549 1 [/CIF]
AgRuV
P3m1
156
trigonal
3m
9,655.054859
false
[CIF] data_ZrGeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86241910 _cell_length_b 3.86241910 _cell_length_c 5.66343513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGeAs2 _chemical_formula_sum 'Zr1 Ge1 As2' _cell_volume 84.48871842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04366084 1 As As1 1 1.93120955 1.93120955 1.93084406 1 Ge Ge2 1 0.00000000 0.00000000 2.49457950 1 Zr Zr3 1 1.93120955 1.93120955 4.68950342 1 [/CIF]
As2GeZr
P4mm
99
tetragonal
4mm
6,165.593121
false
[CIF] data_ZnCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92523434 _cell_length_b 5.26808270 _cell_length_c 4.90243991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCd _chemical_formula_sum 'Zn2 Cd2' _cell_volume 75.54844439 _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 Cd Cd0 1 1.46261717 0.00000000 2.93090843 1 Cd Cd1 1 0.00000000 2.63404135 1.97153148 1 Zn Zn2 1 1.46261717 2.63404135 4.46525304 1 Zn Zn3 1 0.00000000 0.00000000 0.43718687 1 [/CIF]
Cd2Zn2
Pmmn
59
orthorhombic
mmm
7,815.618272
false
[CIF] data_NaCrIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35524671 _cell_length_b 4.35524671 _cell_length_c 4.35524671 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrIr2 _chemical_formula_sum 'Na1 Cr1 Ir2' _cell_volume 58.41485261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53981224 1.53981224 1.53981224 1 Ir Ir1 1 4.61943672 4.61943672 4.61943672 1 Ir Ir2 1 3.07962448 3.07962448 3.07962448 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrIr2Na
F-43m
216
cubic
-43m
13,059.771734
false
[CIF] data_ZrAl2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80274600 _cell_length_b 4.80274600 _cell_length_c 4.80274600 _cell_angle_alpha 127.88414526 _cell_angle_beta 127.88414526 _cell_angle_gamma 76.81278341 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Cu _chemical_formula_sum 'Zr1 Al2 Cu1' _cell_volume 67.00678559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10974846 1.88177390 1 Al Al1 1 2.10974846 0.00000000 1.88177390 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.76354780 1 [/CIF]
Al2CuZr
I4/mmm
139
tetragonal
4/mmm
5,172.751179
false
[CIF] data_RePdRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75300237 _cell_length_b 4.75300237 _cell_length_c 2.74150874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.33517135 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePdRh2 _chemical_formula_sum 'Re1 Pd1 Rh2' _cell_volume 58.44032944 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Re Re1 1 2.74875277 0.00000000 0.00000000 1 Rh Rh2 1 1.37437639 -1.93877472 1.37075437 1 Rh Rh3 1 1.37437639 1.93877473 1.37075437 1 [/CIF]
PdReRh2
Cmmm
65
orthorhombic
mmm
14,162.749923
false
[CIF] data_TaFe2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30642134 _cell_length_b 4.30642134 _cell_length_c 4.30642134 _cell_angle_alpha 126.69947971 _cell_angle_beta 123.36616950 _cell_angle_gamma 81.51180869 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaFe2Ge _chemical_formula_sum 'Ta1 Fe2 Ge1' _cell_volume 51.48638665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93161632 0.00000000 1.60710049 1 Fe Fe1 1 -0.00000000 2.04274291 1.65500383 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 -0.00000000 0.00000000 3.26210432 1 [/CIF]
Fe2GeTa
Immm
71
orthorhombic
mmm
11,780.943214
false
[CIF] data_CrFeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91518732 _cell_length_b 4.91518732 _cell_length_c 4.91518732 _cell_angle_alpha 143.54016879 _cell_angle_beta 128.73389246 _cell_angle_gamma 64.53384371 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFeRe2 _chemical_formula_sum 'Cr1 Fe1 Re2' _cell_volume 54.35405787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15613586 1 Re Re2 1 0.00000000 2.12633924 2.10165425 1 Re Re3 1 1.53762238 0.00000000 2.05448161 1 [/CIF]
CrFeRe2
Immm
71
orthorhombic
mmm
14,671.992979
false