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_ZnFeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16676996 _cell_length_b 3.16676996 _cell_length_c 8.06068983 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeSb2 _chemical_formula_sum 'Zn1 Fe1 Sb2' _cell_volume 80.83607967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.58338498 1.58338498 1.59089353 1 Sb Sb2 1 1.58338498 1.58338498 6.46979630 1 Zn Zn3 1 0.00000000 0.00000000 4.03034491 1 [/CIF]
FeSb2Zn
P4/mmm
123
tetragonal
4/mmm
7,492.611274
false
[CIF] data_FeHO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85338677 _cell_length_b 6.85338677 _cell_length_c 4.00304275 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 157.88552405 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeHO2 _chemical_formula_sum 'Fe2 H2 O4' _cell_volume 70.78115362 _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 Fe Fe0 1 1.31440788 -2.46506578 0.80537529 1 Fe Fe1 1 1.31440788 2.46506578 2.80689667 1 H H2 1 1.31440788 -0.52684466 0.74613454 1 H H3 1 1.31440788 0.52684466 2.74765592 1 O O4 1 1.31440788 5.79922111 0.77621113 1 O O5 1 1.31440788 -2.78326001 2.80417984 1 O O6 1 1.31440788 2.78326001 0.80265847 1 O O7 1 1.31440788 -5.79922111 2.77773250 1 [/CIF]
Fe2H2O4
Cmc2_1
36
orthorhombic
mm2
4,168.956787
false
[CIF] data_AcSiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72538814 _cell_length_b 4.72538814 _cell_length_c 4.72538814 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcSiW2 _chemical_formula_sum 'Ac1 Si1 W2' _cell_volume 74.61007284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 3.34135400 3.34135400 3.34135400 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.67067700 1.67067700 1.67067700 1 W W3 1 5.01203100 5.01203100 5.01203100 1 [/CIF]
AcSiW2
Fm-3m
225
cubic
m-3m
13,860.413249
false
[CIF] data_TaReRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78347850 _cell_length_b 3.91185767 _cell_length_c 5.55940839 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaReRh2 _chemical_formula_sum 'Ta1 Re1 Rh2' _cell_volume 60.53401700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 0.00000000 2.77970420 1 Rh Rh1 1 1.39173925 1.95592884 4.12222783 1 Rh Rh2 1 1.39173925 1.95592884 1.43718056 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReRh2Ta
Pmmm
47
orthorhombic
mmm
15,717.373174
false
[CIF] data_IrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34380323 _cell_length_b 5.34380323 _cell_length_c 6.60795653 _cell_angle_alpha 105.01760983 _cell_angle_beta 105.01760983 _cell_angle_gamma 29.96422511 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrPd2 _chemical_formula_sum 'Ir2 Pd4' _cell_volume 90.79331582 _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 Ir Ir0 1 0.02572173 0.00000000 0.06242023 1 Ir Ir1 1 6.24317811 -0.00000000 2.07545672 1 Pd Pd2 1 3.49298579 -0.00000000 1.75820710 1 Pd Pd3 1 -0.46880046 0.00000000 3.87872413 1 Pd Pd4 1 2.28429057 -0.00000000 4.24331538 1 Pd Pd5 1 5.76991242 0.00000000 6.01830916 1 [/CIF]
Ir2Pd4
Cm
8
monoclinic
m
14,816.354412
false
[CIF] data_LiAs2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10541290 _cell_length_b 4.10541290 _cell_length_c 5.82508884 _cell_angle_alpha 99.88660031 _cell_angle_beta 99.88660031 _cell_angle_gamma 43.91469364 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAs2Ir _chemical_formula_sum 'Li1 As2 Ir1' _cell_volume 66.91820843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.03491986 -0.00000000 4.16360822 1 As As1 1 5.50192939 0.00000000 1.56079123 1 Ir Ir2 1 3.26842463 0.00000000 2.86219972 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2IrLi
C2/m
12
monoclinic
2/m
8,660.275588
false
[CIF] data_TcP2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95436206 _cell_length_b 2.95436206 _cell_length_c 5.90121315 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcP2Os _chemical_formula_sum 'Tc1 P2 Os1' _cell_volume 51.50729443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 2.95060658 1 P P1 1 1.47718103 1.47718103 4.46331517 1 P P2 1 1.47718103 1.47718103 1.43789798 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsP2Tc
P4/mmm
123
tetragonal
4/mmm
11,318.55707
false
[CIF] data_HfZr3Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98988655 _cell_length_b 4.98988655 _cell_length_c 4.98988655 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr3Zn _chemical_formula_sum 'Hf1 Zr3 Zn1' _cell_volume 124.24302444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 2.49494327 2.49494327 2.49494327 1 Zr Zr2 1 0.00000000 2.49494327 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 2.49494327 1 Zr Zr4 1 2.49494327 0.00000000 0.00000000 1 [/CIF]
HfZnZr3
Pm-3m
221
cubic
m-3m
6,917.078149
false
[CIF] data_MgVSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20356888 _cell_length_b 5.20356888 _cell_length_c 5.20356888 _cell_angle_alpha 135.23788576 _cell_angle_beta 120.59109070 _cell_angle_gamma 77.35297900 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVSb2 _chemical_formula_sum 'Mg1 V1 Sb2' _cell_volume 83.01643750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 0.00000000 2.57850472 1.99160874 1 Sb Sb2 1 1.98133527 0.00000000 2.07074932 1 V V3 1 -0.00000000 0.00000000 4.06235806 1 [/CIF]
MgSb2V
Immm
71
orthorhombic
mmm
6,376.137574
false
[CIF] data_Gd3B2(O2F)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96274448 _cell_length_b 6.96274448 _cell_length_c 8.24149352 _cell_angle_alpha 96.63645983 _cell_angle_beta 96.63645983 _cell_angle_gamma 52.39568004 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd3B2(O2F)3 _chemical_formula_sum 'Gd6 B4 O12 F6' _cell_volume 313.90122930 _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 B B0 1 9.73481071 0.55912037 3.91170036 1 B B1 1 2.22942933 0.55912037 0.17472287 1 B B2 1 9.20405746 -0.55912037 7.99812360 1 B B3 1 1.69867608 -0.55912037 4.26114611 1 F F4 1 5.12001680 1.97755125 3.77369090 1 F F5 1 5.98212002 -0.09656724 2.04321162 1 F F6 1 6.84422324 1.97755125 0.31273234 1 F F7 1 4.58926355 -1.97755125 7.86011414 1 F F8 1 5.45136677 0.09656724 6.12963485 1 F F9 1 6.31346999 -1.97755125 4.39915557 1 Gd Gd10 1 3.69062133 0.66205133 2.62907337 1 Gd Gd11 1 5.98212002 -2.43457024 2.04321162 1 Gd Gd12 1 8.27361871 0.66205133 1.45734986 1 Gd Gd13 1 3.15986808 -0.66205133 6.71549661 1 Gd Gd14 1 5.45136677 2.43457024 6.12963485 1 Gd Gd15 1 7.74286546 -0.66205133 5.54377310 1 O O16 1 8.76782104 -0.35086955 3.46886416 1 O O17 1 3.99028256 -1.64737162 2.96966187 1 O O18 1 1.47366956 -0.62762588 2.90397826 1 O O19 1 10.49057048 -0.62762588 1.18244498 1 O O20 1 7.97395749 -1.64737162 1.11676136 1 O O21 1 3.19641901 -0.35086955 0.61755908 1 O O22 1 8.23706779 0.35086955 7.55528739 1 O O23 1 3.45952931 1.64737162 7.05608511 1 O O24 1 0.94291631 0.62762588 6.99040150 1 O O25 1 9.95981723 0.62762588 5.26886821 1 O O26 1 7.44320424 1.64737162 5.20318460 1 O O27 1 2.66566575 0.35086955 4.70398231 1 [/CIF]
B4F6Gd6O12
C2/c
15
monoclinic
2/m
6,838.533429
false
[CIF] data_HfBeGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92818273 _cell_length_b 2.92818273 _cell_length_c 6.63622912 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeGa _chemical_formula_sum 'Hf1 Be1 Ga1' _cell_volume 49.27746434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.10875930 1 Ga Ga1 1 0.00000000 1.69058709 2.01940704 1 Hf Hf2 1 1.46409136 0.84529354 4.50806284 1 [/CIF]
BeGaHf
P3m1
156
trigonal
3m
8,667.906719
false
[CIF] data_CoBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82333562 _cell_length_b 5.82333562 _cell_length_c 5.82333562 _cell_angle_alpha 147.97723402 _cell_angle_beta 147.97723402 _cell_angle_gamma 45.91897431 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoBiPt _chemical_formula_sum 'Co1 Bi1 Pt1' _cell_volume 55.33621899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 10.66784990 1 Co Co1 1 0.00000000 -0.00000000 3.33177844 1 Pt Pt2 1 0.00000000 -0.00000000 7.44843659 1 [/CIF]
BiCoPt
I4mm
107
tetragonal
4mm
13,893.713887
false
[CIF] data_SiRh2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93923539 _cell_length_b 2.93923539 _cell_length_c 6.88930542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiRh2Au _chemical_formula_sum 'Si1 Rh2 Au1' _cell_volume 59.51743068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46961770 1.46961770 5.02425704 1 Rh Rh1 1 0.00000000 0.00000000 0.07441525 1 Rh Rh2 1 1.46961770 1.46961770 1.99948959 1 Si Si3 1 0.00000000 0.00000000 3.23579618 1 [/CIF]
AuRh2Si
P4mm
99
tetragonal
4mm
12,021.099537
false
[CIF] data_CrTeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69252919 _cell_length_b 5.69252919 _cell_length_c 5.69252919 _cell_angle_alpha 149.22749892 _cell_angle_beta 149.22749892 _cell_angle_gamma 44.07654655 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTeRu _chemical_formula_sum 'Cr1 Te1 Ru1' _cell_volume 48.14817872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.43481799 1 Ru Ru1 1 0.00000000 -0.00000000 3.71220820 1 Te Te2 1 0.00000000 0.00000000 6.95935585 1 [/CIF]
CrRuTe
I4mm
107
tetragonal
4mm
9,679.639732
false
[CIF] data_GaPd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14110157 _cell_length_b 4.21239459 _cell_length_c 5.60864262 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPd2Br _chemical_formula_sum 'Ga1 Pd2 Br1' _cell_volume 74.21108720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.57055079 0.00000000 2.80432131 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000000 2.10619729 2.80432131 1 Pd Pd3 1 1.57055079 2.10619729 0.00000000 1 [/CIF]
BrGaPd2
Pmmm
47
orthorhombic
mmm
8,110.521441
false
[CIF] data_ZrTe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05641481 _cell_length_b 5.05641481 _cell_length_c 5.05641481 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTe2P _chemical_formula_sum 'Zr1 Te2 P1' _cell_volume 91.41407856 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 1.78771260 1.78771260 1.78771260 1 Te Te2 1 5.36313780 5.36313780 5.36313780 1 Zr Zr3 1 3.57542520 3.57542520 3.57542520 1 [/CIF]
PTe2Zr
Fm-3m
225
cubic
m-3m
6,855.439964
false
[CIF] data_LiCdSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72384167 _cell_length_b 4.72384167 _cell_length_c 4.72384167 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdSb _chemical_formula_sum 'Li1 Cd1 Sb1' _cell_volume 74.53684422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67013024 1.67013024 1.67013024 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 3.34026048 3.34026048 3.34026048 1 [/CIF]
CdLiSb
F-43m
216
cubic
-43m
5,371.516591
false
[CIF] data_BaY2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90996060 _cell_length_b 6.90996060 _cell_length_c 6.90996060 _cell_angle_alpha 147.45836428 _cell_angle_beta 133.04989935 _cell_angle_gamma 58.28894371 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Au _chemical_formula_sum 'Ba1 Y2 Au1' _cell_volume 128.64573298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93601770 0.00000000 5.81132813 1 Ba Ba1 1 -0.00000000 -0.00000000 8.55051440 1 Y Y2 1 1.93601770 -0.00000000 0.05635681 1 Y Y3 1 -0.00000000 0.00000000 3.68716492 1 [/CIF]
AuBaY2
Imm2
44
orthorhombic
mm2
6,610.17498
false
[CIF] data_KTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51357945 _cell_length_b 7.51357945 _cell_length_c 7.51357945 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTc2 _chemical_formula_sum 'K4 Tc8' _cell_volume 424.17068372 _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 K K0 1 3.75678972 0.00000000 3.75678972 1 K K1 1 0.00000000 3.75678972 3.75678972 1 K K2 1 0.00000000 0.00000000 0.00000000 1 K K3 1 3.75678972 3.75678972 0.00000000 1 Tc Tc4 1 0.58575400 4.34254372 6.92782545 1 Tc Tc5 1 6.92782545 3.17103573 0.58575400 1 Tc Tc6 1 4.34254372 6.92782545 0.58575400 1 Tc Tc7 1 3.17103573 0.58575400 6.92782545 1 Tc Tc8 1 6.92782545 0.58575400 4.34254372 1 Tc Tc9 1 0.58575400 6.92782545 3.17103573 1 Tc Tc10 1 3.17103573 3.17103573 3.17103573 1 Tc Tc11 1 4.34254372 4.34254372 4.34254372 1 [/CIF]
K4Tc8
Pa-3
205
cubic
m-3
3,709.822369
false
[CIF] data_TaSnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21926598 _cell_length_b 3.21926598 _cell_length_c 6.52868436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSnRu2 _chemical_formula_sum 'Ta1 Sn1 Ru2' _cell_volume 67.66115277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 6.44153524 1 Ru Ru1 1 1.60963299 1.60963299 1.67919413 1 Sn Sn2 1 0.00000000 0.00000000 3.11566883 1 Ta Ta3 1 1.60963299 1.60963299 5.08531270 1 [/CIF]
Ru2SnTa
P4mm
99
tetragonal
4mm
12,315.116566
false
[CIF] data_TiBe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43327144 _cell_length_b 4.43327144 _cell_length_c 4.43327144 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBe2Te _chemical_formula_sum 'Ti1 Be2 Te1' _cell_volume 61.61095947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.70219445 4.70219445 4.70219445 1 Be Be1 1 1.56739815 1.56739815 1.56739815 1 Te Te2 1 3.13479630 3.13479630 3.13479630 1 Ti Ti3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Be2TeTi
Fm-3m
225
cubic
m-3m
5,214.980772
false
[CIF] data_YVHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50900338 _cell_length_b 3.69786234 _cell_length_c 6.77554656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.88257167 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVHg2 _chemical_formula_sum 'Y1 V1 Hg2' _cell_volume 87.90778421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.67297809 1.84893117 5.26199566 1 Hg Hg1 1 1.73166038 1.84893117 1.51274707 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 -0.05218246 0.00000000 3.38737137 1 [/CIF]
Hg2VY
P2/m
10
monoclinic
2/m
10,219.766757
false
[CIF] data_BeTeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25168764 _cell_length_b 4.25168764 _cell_length_c 4.25168764 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTeRh _chemical_formula_sum 'Be1 Te1 Rh1' _cell_volume 54.34618379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.00639716 3.00639716 3.00639716 1 Te Te2 1 4.50959574 4.50959574 4.50959574 1 [/CIF]
BeRhTe
F-43m
216
cubic
-43m
7,318.424963
false
[CIF] data_YCu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37499948 _cell_length_b 3.37499948 _cell_length_c 7.19458030 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCu2Pb _chemical_formula_sum 'Y1 Cu2 Pb1' _cell_volume 81.95074098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68749974 1.68749974 0.35472446 1 Cu Cu1 1 0.00000000 0.00000000 1.44643835 1 Pb Pb2 1 1.68749974 1.68749974 3.26241927 1 Y Y3 1 0.00000000 0.00000000 5.72828836 1 [/CIF]
Cu2PbY
P4mm
99
tetragonal
4mm
8,575.109321
false
[CIF] data_ZrNiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48635535 _cell_length_b 4.48635535 _cell_length_c 4.48635535 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiBr _chemical_formula_sum 'Zr1 Ni1 Br1' _cell_volume 63.85075118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17233229 3.17233229 3.17233229 1 Ni Ni1 1 -0.00000000 -0.00000000 -0.00000000 1 Zr Zr2 1 4.75849844 4.75849844 4.75849844 1 [/CIF]
BrNiZr
F-43m
216
cubic
-43m
5,976.866458
false
[CIF] data_AgSnCS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60107324 _cell_length_b 4.60107324 _cell_length_c 4.60107324 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSnCS _chemical_formula_sum 'Ag1 Sn1 C1 S1' _cell_volume 68.87513165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25345009 3.25345009 3.25345009 1 C C1 1 0.00000000 0.00000000 0.00000000 1 S S2 1 1.62672504 1.62672504 1.62672505 1 Sn Sn3 1 4.88017513 4.88017513 4.88017513 1 [/CIF]
CAgSSn
F-43m
216
cubic
-43m
6,525.306939
false
[CIF] data_TaNb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39141988 _cell_length_b 7.39141988 _cell_length_c 9.35573624 _cell_angle_alpha 108.25550649 _cell_angle_beta 108.25550649 _cell_angle_gamma 36.96279160 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb3 _chemical_formula_sum 'Ta4 Nb12' _cell_volume 290.09410253 _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 Nb Nb0 1 -0.77950144 -0.00000000 7.20607128 1 Nb Nb1 1 2.38380376 0.00000000 8.30055330 1 Nb Nb2 1 1.55533718 0.00000000 5.51671104 1 Nb Nb3 1 0.79748448 0.00000000 2.72112944 1 Nb Nb4 1 14.01395384 0.00000000 0.01058720 1 Nb Nb5 1 4.70028744 0.00000000 6.58667969 1 Nb Nb6 1 3.88890648 -0.00000000 3.84700050 1 Nb Nb7 1 3.13576169 -0.00000000 1.11001053 1 Nb Nb8 1 7.82846147 -0.00000000 7.70460922 1 Nb Nb9 1 7.02977877 -0.00000000 4.98435014 1 Nb Nb10 1 10.14246592 -0.00000000 6.08219913 1 Nb Nb11 1 9.33724362 -0.00000000 3.33086122 1 Ta Ta12 1 -1.53456427 -0.00000000 4.39891573 1 Ta Ta13 1 6.23030156 0.00000000 2.24874861 1 Ta Ta14 1 8.59257281 -0.00000000 0.54467080 1 Ta Ta15 1 11.66547874 0.00000000 1.63707928 1 [/CIF]
Nb12Ta4
Cm
8
monoclinic
m
10,524.792302
false
[CIF] data_YBSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25926771 _cell_length_b 5.25926771 _cell_length_c 5.25926771 _cell_angle_alpha 142.81882416 _cell_angle_beta 122.78788006 _cell_angle_gamma 70.22916753 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBSe2 _chemical_formula_sum 'Y1 B1 Se2' _cell_volume 72.65314397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 0.00000000 2.51805700 2.78166609 1 Se Se2 1 1.67667355 -0.00000000 1.52043243 1 Y Y3 1 0.00000000 0.00000000 4.30209851 1 [/CIF]
BSe2Y
Immm
71
orthorhombic
mmm
5,888.662096
false
[CIF] data_Hf2Ni6Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11567018 _cell_length_b 7.11567018 _cell_length_c 2.98340162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ni6Sb _chemical_formula_sum 'Hf2 Ni6 Sb1' _cell_volume 130.81994808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.55783509 2.05411705 1.49170081 1 Hf Hf1 1 -0.00000000 4.10823409 1.49170081 1 Ni Ni2 1 -2.24325658 3.88543437 0.00000000 1 Ni Ni3 1 1.31457851 2.27691677 0.00000000 1 Ni Ni4 1 4.48651316 0.00000000 0.00000000 1 Ni Ni5 1 -1.05077279 1.81999187 1.49170081 1 Ni Ni6 1 2.50706230 4.34235927 1.49170081 1 Ni Ni7 1 2.10154559 0.00000000 1.49170081 1 Sb Sb8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2Ni6Sb
P-62m
189
hexagonal
-6m2
10,546.882145
false
[CIF] data_Y2GeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47405773 _cell_length_b 3.47405773 _cell_length_c 7.17038105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.02568901 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2GeIr _chemical_formula_sum 'Y2 Ge1 Ir1' _cell_volume 86.52601553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 0.00000000 0.00000000 3.58519052 1 Y Y2 1 2.43444370 0.00000000 5.27875752 1 Y Y3 1 2.43444370 0.00000000 1.89162353 1 [/CIF]
GeIrY2
Cmmm
65
orthorhombic
mmm
8,495.348658
false
[CIF] data_Sb2PtCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37528493 _cell_length_b 3.37528493 _cell_length_c 7.97175733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2PtCl _chemical_formula_sum 'Sb2 Pt1 Cl1' _cell_volume 90.81863089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 0.00000000 3.98587867 1 Sb Sb2 1 1.68764246 1.68764246 5.65053968 1 Sb Sb3 1 1.68764246 1.68764246 2.32121765 1 [/CIF]
ClPtSb2
P4/mmm
123
tetragonal
4/mmm
8,667.716752
false
[CIF] data_Ba2LaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29362899 _cell_length_b 5.29362899 _cell_length_c 5.37425030 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LaTe _chemical_formula_sum 'Ba2 La1 Te1' _cell_volume 150.59997140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64681450 2.68712515 1 Ba Ba1 1 2.64681450 0.00000000 2.68712515 1 La La2 1 2.64681450 2.64681450 0.00000000 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2LaTe
P4/mmm
123
tetragonal
4/mmm
5,966.909773
false
[CIF] data_NbTlNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82898798 _cell_length_b 4.82898798 _cell_length_c 4.82898798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTlNiPb _chemical_formula_sum 'Nb1 Tl1 Ni1 Pb1' _cell_volume 79.62572075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41461015 3.41461015 3.41461015 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.70730507 1.70730508 1.70730508 1 Tl Tl3 1 5.12191523 5.12191523 5.12191523 1 [/CIF]
NbNiPbTl
F-43m
216
cubic
-43m
11,744.791722
false
[CIF] data_LaZn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47536927 _cell_length_b 5.47536927 _cell_length_c 5.47536927 _cell_angle_alpha 128.10971888 _cell_angle_beta 128.10971888 _cell_angle_gamma 76.44735524 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZn2Pb _chemical_formula_sum 'La1 Zn2 Pb1' _cell_volume 98.73681499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 0.00000000 4.30145704 1 Zn Zn2 1 -0.00000000 2.39553084 2.15072852 1 Zn Zn3 1 2.39553084 -0.00000000 2.15072852 1 [/CIF]
LaPbZn2
I4/mmm
139
tetragonal
4/mmm
8,019.842878
false
[CIF] data_Hg3GePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19561931 _cell_length_b 5.19561931 _cell_length_c 5.19561931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg3GePd _chemical_formula_sum 'Hg3 Ge1 Pd1' _cell_volume 140.25293771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.59780965 0.00000000 2.59780965 1 Hg Hg2 1 2.59780965 2.59780965 0.00000000 1 Hg Hg3 1 0.00000000 2.59780965 2.59780965 1 Pd Pd4 1 2.59780965 2.59780965 2.59780965 1 [/CIF]
GeHg3Pd
Pm-3m
221
cubic
m-3m
9,244.717013
false
[CIF] data_ZrTc2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05095889 _cell_length_b 3.05095889 _cell_length_c 7.83237448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTc2Hg _chemical_formula_sum 'Zr1 Tc2 Hg1' _cell_volume 72.90648395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.52547944 1.52547944 6.01731756 1 Tc Tc1 1 0.00000000 0.00000000 0.32974101 1 Tc Tc2 1 1.52547944 1.52547944 1.70568031 1 Zr Zr3 1 0.00000000 0.00000000 3.69582284 1 [/CIF]
HgTc2Zr
P4mm
99
tetragonal
4mm
11,152.568943
false
[CIF] data_NaTaB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08268641 _cell_length_b 5.08268641 _cell_length_c 5.08268641 _cell_angle_alpha 141.54252924 _cell_angle_beta 141.54252924 _cell_angle_gamma 55.51850500 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaB2 _chemical_formula_sum 'Na1 Ta1 B2' _cell_volume 50.41152321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 1.67393314 0.00000000 2.24886621 1 Na Na2 1 0.00000000 0.00000000 4.49773241 1 Ta Ta3 1 -0.00000000 1.67393314 2.24886621 1 [/CIF]
B2NaTa
I-4m2
119
tetragonal
-42m
7,429.860985
false
[CIF] data_Ti2MnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49273325 _cell_length_b 4.49273325 _cell_length_c 4.49273325 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2MnHg _chemical_formula_sum 'Ti2 Mn1 Hg1' _cell_volume 64.12345355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17684215 3.17684215 3.17684215 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 4.76526323 4.76526323 4.76526323 1 Ti Ti3 1 1.58842108 1.58842108 1.58842108 1 [/CIF]
HgMnTi2
Fm-3m
225
cubic
m-3m
9,096.271583
false
[CIF] data_SrCdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78419570 _cell_length_b 5.18406452 _cell_length_c 5.79539274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCdW2 _chemical_formula_sum 'Sr1 Cd1 W2' _cell_volume 83.64751218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.89769637 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.39209785 2.59203226 1.50182288 1 W W3 1 1.39209785 2.59203226 4.29356986 1 [/CIF]
CdSrW2
Pmmm
47
orthorhombic
mmm
11,269.986033
false
[CIF] data_CuMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62166044 _cell_length_b 5.62166044 _cell_length_c 5.62166044 _cell_angle_alpha 146.21914202 _cell_angle_beta 146.21914202 _cell_angle_gamma 48.52137812 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuMoPb _chemical_formula_sum 'Cu1 Mo1 Pb1' _cell_volume 54.69123573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.07337991 1 Mo Mo1 1 -0.00000000 0.00000000 3.66293480 1 Pb Pb2 1 -0.00000000 0.00000000 6.76442836 1 [/CIF]
CuMoPb
I4mm
107
tetragonal
4mm
11,133.952832
false
[CIF] data_MgTl2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95945249 _cell_length_b 5.95945249 _cell_length_c 5.78285280 _cell_angle_alpha 100.73021063 _cell_angle_beta 100.73021063 _cell_angle_gamma 34.65749823 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTl2Pb _chemical_formula_sum 'Mg1 Tl2 Pb1' _cell_volume 114.54955932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.00000000 -0.00000000 0.00000000 1 Pb Pb1 1 5.12502613 0.00000000 2.83589903 1 Tl Tl2 1 2.04240304 -0.00000000 4.29266826 1 Tl Tl3 1 8.20764922 0.00000000 1.37912980 1 [/CIF]
MgPbTl2
C2/m
12
monoclinic
2/m
9,281.537278
false
[CIF] data_Zr2BeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25831000 _cell_length_b 3.25831000 _cell_length_c 6.40315847 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BeOs _chemical_formula_sum 'Zr2 Be1 Os1' _cell_volume 67.97967020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 0.00000000 3.20157923 1 Zr Zr2 1 1.62915500 1.62915500 4.84937348 1 Zr Zr3 1 1.62915500 1.62915500 1.55378499 1 [/CIF]
BeOsZr2
P4/mmm
123
tetragonal
4/mmm
9,323.573968
false
[CIF] data_LaYSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99837814 _cell_length_b 4.99837814 _cell_length_c 4.99837814 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYSi _chemical_formula_sum 'La1 Y1 Si1' _cell_volume 88.30236360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.30158062 5.30158062 5.30158062 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.76719354 1.76719354 1.76719354 1 [/CIF]
LaSiY
F-43m
216
cubic
-43m
4,812.177719
false
[CIF] data_Li12GeP(Se2Br)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82984977 _cell_length_b 7.82984977 _cell_length_c 11.04083996 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li12GeP(Se2Br)4 _chemical_formula_sum 'Li12 Ge1 P1 Se8 Br4' _cell_volume 676.87577814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.91492488 0.08588000 1 Li Li1 1 3.91492488 0.00000000 10.95495996 1 Li Li2 1 5.92467782 2.00814083 2.76726000 1 Li Li3 1 5.82170893 1.90517194 8.27357996 1 Li Li4 1 2.00814083 5.92467782 8.27357996 1 Li Li5 1 1.90517194 5.82170893 2.76726000 1 Li Li6 1 5.82170893 5.92467782 8.27357996 1 Li Li7 1 2.00814083 1.90517194 8.27357996 1 Li Li8 1 1.90517194 2.00814083 2.76726000 1 Li Li9 1 5.92467782 5.82170893 2.76726000 1 Li Li10 1 3.91492488 0.00000000 5.57009000 1 Li Li11 1 0.00000000 3.91492488 5.47074996 1 Br Br12 1 3.91492488 3.91492488 0.00000000 1 Br Br13 1 0.00000000 0.00000000 5.52041998 1 P P14 1 0.00000000 0.00000000 0.00000000 1 Ge Ge15 1 3.91492488 3.91492488 5.52041998 1 Se Se16 1 0.00000000 1.89067625 9.71912000 1 Se Se17 1 1.89067625 0.00000000 1.32171996 1 Se Se18 1 0.00000000 5.93917351 9.71912000 1 Se Se19 1 5.93917351 0.00000000 1.32171996 1 Se Se20 1 5.87315802 3.91492488 6.91538000 1 Se Se21 1 1.95669174 3.91492488 6.91538000 1 Se Se22 1 3.91492488 1.95669174 4.12545996 1 Se Se23 1 3.91492488 5.87315802 4.12545996 1 Br Br24 1 0.00000000 3.91492488 2.75233000 1 Br Br25 1 3.91492488 0.00000000 8.28850996 1 [/CIF]
Br8Ge2Li24P2Se16
P-4m2
115
tetragonal
-42m
2,792.28265
false
[CIF] data_La(SbPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66640246 _cell_length_b 4.66640246 _cell_length_c 10.55285579 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La(SbPd)2 _chemical_formula_sum 'La2 Sb4 Pd4' _cell_volume 229.79172646 _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 0.00000000 2.33320123 2.55147348 1 La La1 1 2.33320123 0.00000000 8.00138231 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 2.33320123 2.33320123 0.00000000 1 Pd Pd4 1 2.33320123 0.00000000 3.93696488 1 Pd Pd5 1 0.00000000 2.33320123 6.61589091 1 Sb Sb6 1 2.33320123 0.00000000 1.34290641 1 Sb Sb7 1 0.00000000 0.00000000 5.27642790 1 Sb Sb8 1 2.33320123 2.33320123 5.27642790 1 Sb Sb9 1 0.00000000 2.33320123 9.20994938 1 [/CIF]
La2Pd4Sb4
P4/nmm
129
tetragonal
4/mmm
8,603.108416
false
[CIF] data_TiBeCoAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21282192 _cell_length_b 4.21282192 _cell_length_c 4.21282192 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeCoAg _chemical_formula_sum 'Ti1 Be1 Co1 Ag1' _cell_volume 52.86939098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.46837243 4.46837243 4.46837243 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 1.48945748 1.48945748 1.48945747 1 Ti Ti3 1 2.97891495 2.97891495 2.97891495 1 [/CIF]
AgBeCoTi
F-43m
216
cubic
-43m
7,025.432479
false
[CIF] data_Hf2FePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53304877 _cell_length_b 4.53304877 _cell_length_c 3.35504430 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2FePt _chemical_formula_sum 'Hf2 Fe1 Pt1' _cell_volume 68.94123231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 0.00000000 2.26652439 1.67752215 1 Hf Hf2 1 2.26652439 0.00000000 1.67752215 1 Pt Pt3 1 2.26652439 2.26652439 0.00000000 1 [/CIF]
FeHf2Pt
P4/mmm
123
tetragonal
4/mmm
14,642.334081
false
[CIF] data_BaZrZnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33916978 _cell_length_b 5.33916978 _cell_length_c 5.33916978 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrZnSn _chemical_formula_sum 'Ba1 Zr1 Zn1 Sn1' _cell_volume 107.62327328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.66304474 5.66304474 5.66304474 1 Sn Sn1 1 1.88768158 1.88768158 1.88768158 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.77536316 3.77536316 3.77536316 1 [/CIF]
BaSnZnZr
F-43m
216
cubic
-43m
6,366.713073
false
[CIF] data_AlGa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98897177 _cell_length_b 2.98897177 _cell_length_c 8.22582158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGa2Ge _chemical_formula_sum 'Al1 Ga2 Ge1' _cell_volume 73.48909715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.17680455 1 Ga Ga1 1 1.49448589 1.49448589 8.14687549 1 Ga Ga2 1 0.00000000 0.00000000 2.04085669 1 Ge Ge3 1 1.49448589 1.49448589 4.20001722 1 [/CIF]
AlGa2Ge
P4mm
99
tetragonal
4mm
5,401.903178
false
[CIF] data_Tc3SeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57977649 _cell_length_b 4.57977649 _cell_length_c 4.57977649 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc3SeS _chemical_formula_sum 'Tc3 Se1 S1' _cell_volume 96.05784738 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 2.28988825 0.00000000 2.28988825 1 Tc Tc2 1 2.28988825 2.28988825 0.00000000 1 Tc Tc3 1 0.00000000 2.28988825 2.28988825 1 Se Se4 1 2.28988825 2.28988825 2.28988825 1 [/CIF]
SSeTc3
Pm-3m
221
cubic
m-3m
7,048.608681
false
[CIF] data_CuSbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88940088 _cell_length_b 4.88940088 _cell_length_c 4.88940088 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSbBr _chemical_formula_sum 'Cu1 Sb1 Br1' _cell_volume 82.65172878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45732852 3.45732852 3.45732852 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.72866426 1.72866426 1.72866426 1 [/CIF]
BrCuSb
F-43m
216
cubic
-43m
5,328.28015
false
[CIF] data_ReHg2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91874247 _cell_length_b 5.91874247 _cell_length_c 5.91874247 _cell_angle_alpha 148.22385655 _cell_angle_beta 119.12286916 _cell_angle_gamma 70.31820314 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReHg2Cl _chemical_formula_sum 'Re1 Hg2 Cl1' _cell_volume 94.03979296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 2.99851899 2.30664821 1 Hg Hg2 1 1.62030896 -0.00000000 2.53225612 1 Re Re3 1 -0.00000000 -0.00000000 4.83890433 1 [/CIF]
ClHg2Re
Immm
71
orthorhombic
mmm
10,998.005416
false
[CIF] data_Ag2PdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86467121 _cell_length_b 4.86467121 _cell_length_c 5.18681018 _cell_angle_alpha 96.82610862 _cell_angle_beta 96.82610862 _cell_angle_gamma 32.81715282 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2PdW _chemical_formula_sum 'Ag2 Pd1 W1' _cell_volume 66.01079458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.62970403 -0.00000000 5.10517201 1 Ag Ag1 1 1.83484253 -0.00000000 3.92416091 1 Pd Pd2 1 4.35028365 -0.00000000 2.42135182 1 W W3 1 6.83755160 -0.00000000 1.41642150 1 [/CIF]
Ag2PdW
Cm
8
monoclinic
m
12,728.627115
false
[CIF] data_ReTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11818199 _cell_length_b 3.11818199 _cell_length_c 9.39712358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTe _chemical_formula_sum 'Re2 Te2' _cell_volume 91.36878609 _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 Re Re0 1 1.55909099 0.00000000 5.59530674 1 Re Re1 1 0.00000000 1.55909099 3.80181684 1 Te Te2 1 1.55909099 0.00000000 2.11806777 1 Te Te3 1 0.00000000 1.55909099 7.27905581 1 [/CIF]
Re2Te2
P4/nmm
129
tetragonal
4/mmm
11,406.292431
false
[CIF] data_MnGe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09154017 _cell_length_b 5.09154017 _cell_length_c 3.06845399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGe2Br _chemical_formula_sum 'Mn1 Ge2 Br1' _cell_volume 79.54593017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.54577009 2.54577009 0.00000000 1 Ge Ge1 1 2.54577009 0.00000000 1.53422700 1 Ge Ge2 1 0.00000000 2.54577009 1.53422700 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrGe2Mn
P4/mmm
123
tetragonal
4/mmm
5,847.610282
false
[CIF] data_Tc2PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70088961 _cell_length_b 2.70088961 _cell_length_c 7.95968326 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2PdRh _chemical_formula_sum 'Tc2 Pd1 Rh1' _cell_volume 58.06433474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.97984163 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.35044480 1.35044480 1.94545540 1 Tc Tc3 1 1.35044480 1.35044480 6.01422786 1 [/CIF]
PdRhTc2
P4/mmm
123
tetragonal
4/mmm
11,643.436397
false
[CIF] data_Sr2AlAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04265219 _cell_length_b 4.04265219 _cell_length_c 7.05274975 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlAs _chemical_formula_sum 'Sr2 Al1 As1' _cell_volume 115.26334821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.52637488 1 Sr Sr2 1 2.02132610 2.02132610 5.13326082 1 Sr Sr3 1 2.02132610 2.02132610 1.91948893 1 [/CIF]
AlAsSr2
P4/mmm
123
tetragonal
4/mmm
3,992.656953
false
[CIF] data_Zn2HgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45067085 _cell_length_b 3.45067085 _cell_length_c 5.71323750 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2HgPt _chemical_formula_sum 'Zn2 Hg1 Pt1' _cell_volume 68.02825772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.72533543 1.72533543 2.77535612 1 Pt Pt1 1 0.00000000 0.00000000 4.52656299 1 Zn Zn2 1 1.72533543 1.72533543 5.60199500 1 Zn Zn3 1 0.00000000 0.00000000 1.37917965 1 [/CIF]
HgPtZn2
P4mm
99
tetragonal
4mm
12,850.016336
false
[CIF] data_VZnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55392149 _cell_length_b 3.55392149 _cell_length_c 6.29604863 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnSb2 _chemical_formula_sum 'V1 Zn1 Sb2' _cell_volume 79.52134769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77696074 1.77696074 4.82979127 1 Sb Sb1 1 1.77696074 1.77696074 1.46625736 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 3.14802431 1 [/CIF]
Sb2VZn
P4/mmm
123
tetragonal
4/mmm
7,514.093936
false
[CIF] data_BaBCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18857601 _cell_length_b 5.18857601 _cell_length_c 5.18857601 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBCl _chemical_formula_sum 'Ba1 B1 Cl1' _cell_volume 98.77102293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 1.83443864 1.83443864 1.83443864 1 Cl Cl2 1 3.66887728 3.66887728 3.66887728 1 [/CIF]
BBaCl
F-43m
216
cubic
-43m
3,086.533061
false
[CIF] data_LaTiBeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59540176 _cell_length_b 4.59540176 _cell_length_c 4.59540176 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiBeW _chemical_formula_sum 'La1 Ti1 Be1 W1' _cell_volume 68.62075028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.24943975 3.24943975 3.24943975 1 Ti Ti2 1 1.62471987 1.62471987 1.62471988 1 W W3 1 4.87415963 4.87415963 4.87415963 1 [/CIF]
BeLaTiW
F-43m
216
cubic
-43m
9,186.456906
false
[CIF] data_Ca2YB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38329888 _cell_length_b 3.38329888 _cell_length_c 9.48556288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2YB _chemical_formula_sum 'Ca2 Y1 B1' _cell_volume 108.57850013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.92057144 1 Ca Ca1 1 1.69164944 1.69164944 8.66998470 1 Ca Ca2 1 0.00000000 0.00000000 2.49626787 1 Y Y3 1 1.69164944 1.69164944 5.62708328 1 [/CIF]
BCa2Y
P4mm
99
tetragonal
4mm
2,750.892589
false
[CIF] data_SiB2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34751826 _cell_length_b 4.34751826 _cell_length_c 4.34751826 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiB2Sb _chemical_formula_sum 'Si1 B2 Sb1' _cell_volume 58.10443000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53707982 1.53707982 1.53707982 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 4.61123946 4.61123946 4.61123946 1 Si Si3 1 3.07415964 3.07415964 3.07415964 1 [/CIF]
B2SbSi
F-43m
216
cubic
-43m
4,900.288711
false
[CIF] data_KCaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33508266 _cell_length_b 3.33508266 _cell_length_c 9.70847509 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaOs2 _chemical_formula_sum 'K1 Ca1 Os2' _cell_volume 107.98519708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66754133 1.66754133 3.93599356 1 K K1 1 0.00000000 0.00000000 7.92609654 1 Os Os2 1 1.66754133 1.66754133 0.88358327 1 Os Os3 1 0.00000000 0.00000000 1.81703927 1 [/CIF]
CaKOs2
P4mm
99
tetragonal
4mm
7,068.142588
false
[CIF] data_Ti4TeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21554838 _cell_length_b 5.21554838 _cell_length_c 5.21554838 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4TeIr _chemical_formula_sum 'Ti4 Te1 Ir1' _cell_volume 100.31940280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 5.53192444 5.53192444 5.53192444 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 4.61041625 4.61041625 2.76548301 1 Ti Ti3 1 4.61041625 2.76548301 4.61041625 1 Ti Ti4 1 2.76548301 4.61041625 4.61041625 1 Ti Ti5 1 2.76548301 2.76548301 2.76548301 1 [/CIF]
IrTeTi4
F-43m
216
cubic
-43m
8,463.055929
false
[CIF] data_ZrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90170378 _cell_length_b 5.41903752 _cell_length_c 5.65999998 _cell_angle_alpha 105.13632026 _cell_angle_beta 90.00000022 _cell_angle_gamma 116.88922613 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi _chemical_formula_sum 'Zr4 Ni4' _cell_volume 128.21366183 _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 2.45085188 -0.41426957 1.35299878 1 Ni Ni2 1 4.90170283 -0.82853866 2.70599601 1 Ni Ni3 1 0.81694999 0.96663385 4.73549606 1 Zr Zr4 1 2.45085093 -1.24280823 4.05899479 1 Zr Zr5 1 3.26780283 2.20944208 0.67650126 1 Zr Zr6 1 0.81695094 1.79517251 2.02950005 1 Zr Zr7 1 3.26780188 1.38090342 3.38249728 1 [/CIF]
Ni4Zr4
P1
1
triclinic
1
7,766.526466
false
[CIF] data_Na2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07056090 _cell_length_b 5.07056090 _cell_length_c 5.07056090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2InAg _chemical_formula_sum 'Na2 In1 Ag1' _cell_volume 92.18346170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.58542800 3.58542800 3.58542800 1 Na Na2 1 5.37814200 5.37814200 5.37814200 1 Na Na3 1 1.79271400 1.79271400 1.79271400 1 [/CIF]
AgInNa2
Fm-3m
225
cubic
m-3m
4,839.587779
false
[CIF] data_InGa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08397276 _cell_length_b 5.08397276 _cell_length_c 2.95869185 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.81880814 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGa2Fe _chemical_formula_sum 'In1 Ga2 Fe1' _cell_volume 71.94314264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 1.46131415 2.07996531 1.47934592 1 Ga Ga2 1 1.46131415 -2.07996532 1.47934592 1 In In3 1 2.92262830 0.00000000 0.00000000 1 [/CIF]
FeGa2In
Cmmm
65
orthorhombic
mmm
7,157.709415
false
[CIF] data_HfCrGaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48794621 _cell_length_b 4.48794621 _cell_length_c 4.48794621 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrGaRe _chemical_formula_sum 'Hf1 Cr1 Ga1 Re1' _cell_volume 63.91869976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.76018580 4.76018580 4.76018580 1 Hf Hf2 1 3.17345720 3.17345720 3.17345720 1 Re Re3 1 1.58672860 1.58672860 1.58672860 1 [/CIF]
CrGaHfRe
F-43m
216
cubic
-43m
12,636.567073
false
[CIF] data_La2TcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55367876 _cell_length_b 3.55367876 _cell_length_c 7.32846239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TcW _chemical_formula_sum 'La2 Tc1 W1' _cell_volume 92.54845999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77683938 1.77683938 5.56379437 1 La La1 1 1.77683938 1.77683938 1.76466802 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.66423120 1 [/CIF]
La2TcW
P4/mmm
123
tetragonal
4/mmm
10,057.726257
false
[CIF] data_V2CrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18960434 _cell_length_b 4.18960434 _cell_length_c 3.21212552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CrAg _chemical_formula_sum 'V2 Cr1 Ag1' _cell_volume 56.38174712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09480217 2.09480217 0.00000000 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.09480217 1.60606276 1 V V3 1 2.09480217 0.00000000 1.60606276 1 [/CIF]
AgCrV2
P4/mmm
123
tetragonal
4/mmm
7,708.906506
false
[CIF] data_NaMgInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12756109 _cell_length_b 5.12756109 _cell_length_c 5.12756109 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgInHg _chemical_formula_sum 'Na1 Mg1 In1 Hg1' _cell_volume 95.32735276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62573322 3.62573322 3.62573322 1 In In1 1 1.81286661 1.81286661 1.81286661 1 Mg Mg2 1 5.43859983 5.43859983 5.43859983 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgInMgNa
F-43m
216
cubic
-43m
6,318.040946
false
[CIF] data_KHfMgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29931955 _cell_length_b 5.29931955 _cell_length_c 5.29931955 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfMgIn _chemical_formula_sum 'K1 Hf1 Mg1 In1' _cell_volume 105.23139493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.74718479 3.74718479 3.74718479 1 In In1 1 1.87359240 1.87359240 1.87359240 1 K K2 1 5.62077719 5.62077719 5.62077719 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfInKMg
F-43m
216
cubic
-43m
5,628.862466
false
[CIF] data_MnAgHgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57815720 _cell_length_b 4.57815720 _cell_length_c 4.57815720 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAgHgRh _chemical_formula_sum 'Mn1 Ag1 Hg1 Rh1' _cell_volume 67.85113306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23724600 3.23724600 3.23724600 1 Hg Hg1 1 1.61862300 1.61862300 1.61862300 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 4.85586900 4.85586900 4.85586900 1 [/CIF]
AgHgMnRh
F-43m
216
cubic
-43m
11,411.928283
false
[CIF] data_KCu2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72178020 _cell_length_b 2.72178020 _cell_length_c 7.98120638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu2B _chemical_formula_sum 'K1 Cu2 B1' _cell_volume 59.12547488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.36089010 1.36089010 1.18709535 1 Cu Cu2 1 1.36089010 1.36089010 6.79411103 1 K K3 1 0.00000000 0.00000000 3.99060319 1 [/CIF]
BCu2K
P4/mmm
123
tetragonal
4/mmm
4,971.081824
false
[CIF] data_SrMnCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64870039 _cell_length_b 3.77443848 _cell_length_c 7.46104605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnCd2 _chemical_formula_sum 'Sr1 Mn1 Cd2' _cell_volume 102.75199784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.31954355 1 Cd Cd1 1 1.82435019 1.88721924 2.06888070 1 Mn Mn2 1 0.00000000 0.00000000 3.25698603 1 Sr Sr3 1 1.82435019 1.88721924 5.54615873 1 [/CIF]
Cd2MnSr
Pmm2
25
orthorhombic
mm2
5,937.100298
false
[CIF] data_KLiOsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56172192 _cell_length_b 4.56172192 _cell_length_c 4.56172192 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiOsRu _chemical_formula_sum 'K1 Li1 Os1 Ru1' _cell_volume 67.12300994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61281225 1.61281225 1.61281225 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.83843675 4.83843675 4.83843675 1 Ru Ru3 1 3.22562450 3.22562450 3.22562450 1 [/CIF]
KLiOsRu
F-43m
216
cubic
-43m
8,345.351123
false
[CIF] data_Li2MgBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04602669 _cell_length_b 3.04602669 _cell_length_c 6.96687877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgBe _chemical_formula_sum 'Li2 Mg1 Be1' _cell_volume 64.64064217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.38122287 1 Li Li1 1 1.52301335 1.52301335 6.69392642 1 Li Li2 1 0.00000000 0.00000000 1.58858101 1 Mg Mg3 1 1.52301335 1.52301335 3.75346662 1 [/CIF]
BeLi2Mg
P4mm
99
tetragonal
4mm
1,212.607187
false
[CIF] data_TiMo2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29798125 _cell_length_b 3.88934380 _cell_length_c 4.09575139 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMo2C _chemical_formula_sum 'Ti1 Mo2 C1' _cell_volume 52.53613315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 0.00000000 1.94467190 2.04787570 1 Mo Mo2 1 1.64899063 1.94467190 0.00000000 1 Ti Ti3 1 1.64899063 0.00000000 2.04787570 1 [/CIF]
CMo2Ti
Pmmm
47
orthorhombic
mmm
7,958.711322
false
[CIF] data_B2TeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37824194 _cell_length_b 3.15915317 _cell_length_c 5.60967344 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.49987021 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2TeRu _chemical_formula_sum 'B2 Te1 Ru1' _cell_volume 58.21444544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36705942 0.00000000 4.44625237 1 B B1 1 0.94505623 1.57957659 4.49567931 1 Ru Ru2 1 -0.33558416 0.00000000 3.11375936 1 Te Te3 1 1.50610265 1.57957659 1.58101067 1 [/CIF]
B2RuTe
Pm
6
monoclinic
m
7,139.45896
false
[CIF] data_TlBMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40523674 _cell_length_b 4.40523674 _cell_length_c 4.40523674 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBMo _chemical_formula_sum 'Tl1 B1 Mo1' _cell_volume 60.44950645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11497277 3.11497277 3.11497277 1 Tl Tl2 1 4.67245916 4.67245916 4.67245916 1 [/CIF]
BMoTl
F-43m
216
cubic
-43m
8,547.362935
false
[CIF] data_Ti2VCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95264252 _cell_length_b 4.33005336 _cell_length_c 5.00648753 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.29153793 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2VCl _chemical_formula_sum 'Ti2 V1 Cl1' _cell_volume 63.99218048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 2.36505228 2.16502668 3.66605322 1 Ti Ti2 1 0.47474560 2.16502668 1.33916241 1 V V3 1 1.41989894 0.00000000 2.50260781 1 [/CIF]
ClTi2V
P2/m
10
monoclinic
2/m
4,726.069453
false
[CIF] data_Ta2ReAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00675236 _cell_length_b 10.00675236 _cell_length_c 10.00675236 _cell_angle_alpha 16.35466743 _cell_angle_beta 16.35466743 _cell_angle_gamma 16.35466743 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ReAg _chemical_formula_sum 'Ta2 Re1 Ag1' _cell_volume 69.27226930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 -0.00000000 -0.00000000 14.80629321 1 Ta Ta2 1 0.00000000 0.00000000 22.28494659 1 Ta Ta3 1 -0.00000000 0.00000000 7.32763984 1 [/CIF]
AgReTa2
R-3m
166
trigonal
-3m
15,724.407675
false
[CIF] data_SiTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09410182 _cell_length_b 4.09410182 _cell_length_c 4.09410182 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTcW _chemical_formula_sum 'Si1 Tc1 W1' _cell_volume 48.52448337 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 4.34245074 4.34245074 4.34245074 1 W W2 1 1.44748358 1.44748358 1.44748358 1 [/CIF]
SiTcW
F-43m
216
cubic
-43m
10,636.860923
false
[CIF] data_Nd2PuU _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56542110 _cell_length_b 5.56542110 _cell_length_c 5.56542110 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2PuU _chemical_formula_sum 'Nd2 Pu1 U1' _cell_volume 121.89309175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 1.96767350 1.96767350 1.96767350 1 Nd Nd1 1 5.90302050 5.90302050 5.90302050 1 Pu Pu2 1 3.93534700 3.93534700 3.93534700 1 U U3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nd2PuU
Fm-3m
225
cubic
m-3m
10,496.630859
false
[CIF] data_KScCrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30346709 _cell_length_b 5.30346709 _cell_length_c 5.30346709 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScCrCd _chemical_formula_sum 'K1 Sc1 Cr1 Cd1' _cell_volume 105.47866775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 5.62517631 5.62517631 5.62517631 1 Cr Cr1 1 1.87505877 1.87505877 1.87505877 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 3.75011754 3.75011754 3.75011754 1 [/CIF]
CdCrKSc
F-43m
216
cubic
-43m
3,911.499111
false
[CIF] data_K2YAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64590150 _cell_length_b 5.64590150 _cell_length_c 5.64590150 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2YAu _chemical_formula_sum 'K2 Y1 Au1' _cell_volume 127.25794166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99612762 1.99612762 1.99612762 1 K K1 1 5.98838286 5.98838286 5.98838286 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.99225524 3.99225524 3.99225524 1 [/CIF]
AuK2Y
F-43m
216
cubic
-43m
4,750.594117
false
[CIF] data_CaTaB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46313585 _cell_length_b 4.46313585 _cell_length_c 2.70027016 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaB2 _chemical_formula_sum 'Ca1 Ta1 B2' _cell_volume 53.78825184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.23156792 0.00000000 1.35013508 1 B B1 1 0.00000000 2.23156792 1.35013508 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 2.23156792 2.23156792 0.00000000 1 [/CIF]
B2CaTa
P4/mmm
123
tetragonal
4/mmm
7,490.971921
false
[CIF] data_CsEuSiS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60962500 _cell_length_b 6.81291300 _cell_length_c 18.25690000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsEuSiS4 _chemical_formula_sum 'Cs4 Eu4 Si4 S16' _cell_volume 822.12281412 _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 Cs Cs0 1 3.29913483 3.36423688 17.64029146 1 Cs Cs1 1 0.00567767 3.44867612 8.51184146 1 Cs Cs2 1 6.60394733 0.04221962 0.61660854 1 Cs Cs3 1 3.31049017 6.77069338 9.74505854 1 Eu Eu4 1 1.91947476 3.23874302 4.15695007 1 Eu Eu5 1 1.38533774 3.57416998 13.28540007 1 Eu Eu6 1 5.22428726 0.16771348 14.09994993 1 Eu Eu7 1 4.69015024 6.64519952 4.97149993 1 Si Si8 1 5.21816014 3.53089436 3.05259019 1 Si Si9 1 4.69627736 3.28201864 12.18104019 1 Si Si10 1 1.91334764 6.68847514 15.20430981 1 Si Si11 1 1.39146486 0.12443786 6.07585981 1 S S12 1 0.29354667 3.49124320 1.77230682 1 S S13 1 3.01126583 3.32166980 10.90075682 1 S S14 1 3.59835917 6.72812630 16.48459318 1 S S15 1 6.31607833 0.08478670 7.35614318 1 S S16 1 4.04937354 2.93706042 14.18732745 1 S S17 1 5.86506396 3.87585258 5.05887745 1 S S18 1 0.74456104 0.46939608 4.06957255 1 S S19 1 2.56025146 6.34351692 13.19802255 1 S S20 1 3.79618524 5.08129534 2.64531527 1 S S21 1 6.11825226 1.73161766 11.77376527 1 S S22 1 0.49137274 5.13807416 15.61158473 1 S S23 1 2.81343976 1.67483884 6.48313473 1 S S24 1 4.04377518 1.74982176 2.82390426 1 S S25 1 5.87066232 5.06309124 11.95235426 1 S S26 1 0.73896268 1.65663474 15.43299574 1 S S27 1 2.56584982 5.15627826 6.30454574 1 [/CIF]
Cs4Eu4S16Si4
P2_12_12_1
19
orthorhombic
222
3,564.696913
false
[CIF] data_Na2VTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19836274 _cell_length_b 4.33863096 _cell_length_c 5.47914255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2VTe _chemical_formula_sum 'Na2 V1 Te1' _cell_volume 99.80338460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09918137 2.16931548 1.38117688 1 Na Na1 1 2.09918137 2.16931548 4.09796567 1 Te Te2 1 0.00000000 0.00000000 2.73957127 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2TeV
Pmmm
47
orthorhombic
mmm
3,735.604331
false
[CIF] data_LiAgRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38808387 _cell_length_b 4.38808387 _cell_length_c 4.38808387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAgRuW _chemical_formula_sum 'Li1 Ag1 Ru1 W1' _cell_volume 59.74612744 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65426579 4.65426579 4.65426579 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.10284386 3.10284386 3.10284386 1 W W3 1 1.55142193 1.55142193 1.55142193 1 [/CIF]
AgLiRuW
F-43m
216
cubic
-43m
11,109.495723
false
[CIF] data_SnMoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91559857 _cell_length_b 3.90332081 _cell_length_c 5.69828549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMoIr2 _chemical_formula_sum 'Sn1 Mo1 Ir2' _cell_volume 64.84943235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.45779928 1.95166040 4.35390609 1 Ir Ir1 1 1.45779928 1.95166040 1.34437940 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 2.84914274 1 [/CIF]
Ir2MoSn
Pmmm
47
orthorhombic
mmm
15,340.847134
false
[CIF] data_SnMoBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22509426 _cell_length_b 7.22509426 _cell_length_c 4.79498661 _cell_angle_alpha 103.11839993 _cell_angle_beta 103.11839993 _cell_angle_gamma 26.17823918 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMoBr2 _chemical_formula_sum 'Sn1 Mo1 Br2' _cell_volume 107.38727156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.93609431 0.00000000 3.85024563 1 Br Br1 1 9.02134495 -0.00000000 0.81274647 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 6.47871963 -0.00000000 2.33149605 1 [/CIF]
Br2MoSn
C2/m
12
monoclinic
2/m
5,790.587092
false
[CIF] data_B2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82236894 _cell_length_b 4.82236894 _cell_length_c 6.09248526 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2P _chemical_formula_sum 'B8 P4' _cell_volume 122.70040184 _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 B B0 1 0.00000000 0.00000000 3.04624263 1 B B1 1 0.00000000 0.00000000 0.00000000 1 B B2 1 1.51324207 3.65786672 4.56936394 1 B B3 1 0.89794240 0.51842728 1.52312131 1 B B4 1 -1.51324207 3.65786672 4.56936394 1 B B5 1 0.00000000 1.03685457 4.56936394 1 B B6 1 2.41118447 3.13943944 1.52312131 1 B B7 1 3.92442654 0.51842728 1.52312131 1 P P8 1 2.41118447 1.39209800 2.65238978 1 P P9 1 0.00000000 2.78419600 5.69863241 1 P P10 1 0.00000000 2.78419600 3.44009548 1 P P11 1 2.41118447 1.39209800 0.39385285 1 [/CIF]
B8P4
P6_3/mmc
194
hexagonal
6/mmm
2,847.172993
false
[CIF] data_Mg6ZnSe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56831145 _cell_length_b 6.56831145 _cell_length_c 7.74969065 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.29026844 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZnSe6 _chemical_formula_sum 'Mg6 Zn1 Se6' _cell_volume 309.35865697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 2.53313999 1 Mg Mg1 1 0.00000000 0.00000000 5.21655066 1 Mg Mg2 1 3.65914786 1.95348099 0.00000000 1 Mg Mg3 1 3.65914786 -1.95348099 0.00000000 1 Mg Mg4 1 3.65914786 1.94762180 3.87484532 1 Mg Mg5 1 3.65914786 -1.94762180 3.87484532 1 Se Se6 1 1.82957393 -2.72733167 1.93504816 1 Se Se7 1 1.82957393 2.72733167 1.93504816 1 Se Se8 1 3.65914786 -0.00000000 1.93896012 1 Se Se9 1 1.82957393 2.72733167 5.81464249 1 Se Se10 1 1.82957393 -2.72733167 5.81464249 1 Se Se11 1 3.65914786 -0.00000000 5.81073053 1 Zn Zn12 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg6Se6Zn
Cmmm
65
orthorhombic
mmm
3,676.70152
false
[CIF] data_BaIn2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20884135 _cell_length_b 5.87527023 _cell_length_c 6.16467793 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaIn2Cl _chemical_formula_sum 'Ba1 In2 Cl1' _cell_volume 152.44065079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.93763511 0.00000000 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 2.10442068 4.37186907 3.08233897 1 In In3 1 2.10442068 1.50340116 3.08233897 1 [/CIF]
BaClIn2
Pmmm
47
orthorhombic
mmm
4,383.525559
false
[CIF] data_CdTe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26809953 _cell_length_b 3.26809953 _cell_length_c 9.24468745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTe2Ir _chemical_formula_sum 'Cd1 Te2 Ir1' _cell_volume 98.73764892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 4.62234373 1 Te Te2 1 1.63404977 1.63404977 6.33442249 1 Te Te3 1 1.63404977 1.63404977 2.91026496 1 [/CIF]
CdIrTe2
P4/mmm
123
tetragonal
4/mmm
9,415.013166
false
[CIF] data_KLi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29319713 _cell_length_b 5.29319713 _cell_length_c 3.68936113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLi2Sn _chemical_formula_sum 'K1 Li2 Sn1' _cell_volume 103.36828339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 0.00000000 2.64659856 1.84468056 1 Li Li2 1 2.64659856 0.00000000 1.84468056 1 Sn Sn3 1 2.64659856 2.64659856 0.00000000 1 [/CIF]
KLi2Sn
P4/mmm
123
tetragonal
4/mmm
2,758.116249
false
[CIF] data_Y2AgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24025560 _cell_length_b 5.24025560 _cell_length_c 5.24025560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2AgSn _chemical_formula_sum 'Y2 Ag1 Sn1' _cell_volume 101.75187352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.70542027 3.70542027 3.70542027 1 Y Y2 1 1.85271014 1.85271013 1.85271014 1 Y Y3 1 5.55813040 5.55813040 5.55813041 1 [/CIF]
AgSnY2
Fm-3m
225
cubic
m-3m
6,599.438456
false
[CIF] data_Bi2PbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54698485 _cell_length_b 5.54698485 _cell_length_c 5.54698485 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2PbBr _chemical_formula_sum 'Bi2 Pb1 Br1' _cell_volume 120.68573522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.92231060 3.92231060 3.92231060 1 Bi Bi1 1 5.88346590 5.88346590 5.88346590 1 Br Br2 1 0.00000000 -0.00000000 0.00000000 1 Pb Pb3 1 1.96115530 1.96115530 1.96115530 1 [/CIF]
Bi2BrPb
F-43m
216
cubic
-43m
9,701.127004
false