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_SrHfReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77713975 _cell_length_b 4.77713975 _cell_length_c 4.77713975 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfReTc _chemical_formula_sum 'Sr1 Hf1 Re1 Tc1' _cell_volume 77.08836600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.68897395 1.68897396 1.68897396 1 Re Re1 1 3.37794791 3.37794791 3.37794791 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 5.06692187 5.06692187 5.06692186 1 [/CIF]
HfReSrTc
F-43m
216
cubic
-43m
11,873.745748
false
[CIF] data_InRe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03788626 _cell_length_b 3.03788626 _cell_length_c 8.64202412 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRe2Te _chemical_formula_sum 'In1 Re2 Te1' _cell_volume 79.75510541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 6.91235592 1 Re Re1 1 1.51894313 1.51894313 0.30580027 1 Re Re2 1 0.00000000 0.00000000 1.83186178 1 Te Te3 1 1.51894313 1.51894313 3.91301821 1 [/CIF]
InRe2Te
P4mm
99
tetragonal
4mm
12,801.093424
false
[CIF] data_NaIr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69236432 _cell_length_b 6.69236432 _cell_length_c 2.62559637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 135.52594959 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaIr2Br _chemical_formula_sum 'Na1 Ir2 Br1' _cell_volume 82.38509851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53265177 -0.00000000 0.00000000 1 Ir Ir1 1 1.26632589 -3.09731396 1.31279818 1 Ir Ir2 1 1.26632589 3.09731397 1.31279818 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrIr2Na
Cmmm
65
orthorhombic
mmm
9,822.489914
false
[CIF] data_NbInO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06193335 _cell_length_b 4.06193335 _cell_length_c 4.06193335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbInO3 _chemical_formula_sum 'Nb1 In1 O3' _cell_volume 67.01906724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03096668 2.03096668 2.03096668 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 0.00000000 2.03096668 1 O O3 1 0.00000000 2.03096668 0.00000000 1 O O4 1 2.03096668 0.00000000 0.00000000 1 [/CIF]
InNbO3
Pm-3m
221
cubic
m-3m
6,336.067507
false
[CIF] data_NbTe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72269795 _cell_length_b 5.72269795 _cell_length_c 3.06992480 _cell_angle_alpha 99.85241754 _cell_angle_beta 99.85241754 _cell_angle_gamma 103.06239124 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTe2Au _chemical_formula_sum 'Nb1 Te2 Au1' _cell_volume 94.15867861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.56002424 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.78001212 -2.24028454 0.00000000 1 Te Te3 1 1.78001212 2.24028454 0.00000000 1 [/CIF]
AuNbTe2
C2/m
12
monoclinic
2/m
9,612.655353
false
[CIF] data_MnMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09867495 _cell_length_b 4.09867495 _cell_length_c 4.09867495 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnMoW _chemical_formula_sum 'Mn1 Mo1 W1' _cell_volume 48.68727120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.44910042 1.44910042 1.44910043 1 W W2 1 4.34730127 4.34730128 4.34730128 1 [/CIF]
MnMoW
F-43m
216
cubic
-43m
11,416.651356
false
[CIF] data_NaCr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74158083 _cell_length_b 3.74938338 _cell_length_c 6.92020442 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.71430911 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCr2W _chemical_formula_sum 'Na1 Cr2 W1' _cell_volume 70.11445450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07935578 0.00000000 0.12080375 1 Cr Cr1 1 1.04616526 1.87469169 1.08628926 1 Na Na2 1 2.05778340 0.00000000 3.31331487 1 W W3 1 0.54833052 1.87469169 5.71105926 1 [/CIF]
Cr2NaW
Pm
6
monoclinic
m
7,361.278448
false
[CIF] data_ScZnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85060814 _cell_length_b 3.85060814 _cell_length_c 4.52545336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnW2 _chemical_formula_sum 'Sc1 Zn1 W2' _cell_volume 67.09972534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 0.00000000 1.92530407 2.26272668 1 W W2 1 1.92530407 0.00000000 2.26272668 1 Zn Zn3 1 1.92530407 1.92530407 0.00000000 1 [/CIF]
ScW2Zn
P4/mmm
123
tetragonal
4/mmm
11,829.617666
false
[CIF] data_ReHg2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09102802 _cell_length_b 3.09102802 _cell_length_c 8.57211274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReHg2Se _chemical_formula_sum 'Re1 Hg2 Se1' _cell_volume 81.90185848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54551401 1.54551401 8.56280214 1 Hg Hg1 1 0.00000000 0.00000000 2.50715628 1 Re Re2 1 1.54551401 1.54551401 4.52087697 1 Se Se3 1 0.00000000 0.00000000 5.83944638 1 [/CIF]
Hg2ReSe
P4mm
99
tetragonal
4mm
13,510.289382
false
[CIF] data_Zn2PbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44208446 _cell_length_b 3.44208446 _cell_length_c 7.50941641 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2PbCl _chemical_formula_sum 'Zn2 Pb1 Cl1' _cell_volume 88.97115584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 3.41704211 1 Pb Pb1 1 1.72104223 1.72104223 5.86385516 1 Zn Zn2 1 0.00000000 0.00000000 0.32477287 1 Zn Zn3 1 1.72104223 1.72104223 1.65845439 1 [/CIF]
ClPbZn2
P4mm
99
tetragonal
4mm
6,969.302227
false
[CIF] data_Be2AgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12735787 _cell_length_b 4.12735787 _cell_length_c 4.12735787 _cell_angle_alpha 122.25453685 _cell_angle_beta 122.25453685 _cell_angle_gamma 86.13746155 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AgIr _chemical_formula_sum 'Be2 Ag1 Ir1' _cell_volume 47.90381539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 1.99295944 0.00000000 1.50758983 1 Be Be2 1 0.00000000 1.99295944 1.50758983 1 Ir Ir3 1 0.00000000 0.00000000 3.01517965 1 [/CIF]
AgBe2Ir
I4/mmm
139
tetragonal
4/mmm
11,026.957961
false
[CIF] data_Na(WSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56525148 _cell_length_b 5.56525148 _cell_length_c 5.56525148 _cell_angle_alpha 128.10485015 _cell_angle_beta 128.10485015 _cell_angle_gamma 76.45523654 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na(WSe)2 _chemical_formula_sum 'Na1 W2 Se2' _cell_volume 103.69207640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 -0.00000000 2.43506786 2.18591589 1 Se Se2 1 2.43506786 -0.00000000 2.18591589 1 W W3 1 0.00000000 0.00000000 5.51815912 1 W W4 1 -0.00000000 0.00000000 3.22550444 1 [/CIF]
NaSe2W2
I4/mmm
139
tetragonal
4/mmm
8,785.191454
false
[CIF] data_ZrVInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85309491 _cell_length_b 4.85309491 _cell_length_c 4.85309491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrVInHg _chemical_formula_sum 'Zr1 V1 In1 Hg1' _cell_volume 80.82418910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71582816 1.71582816 1.71582816 1 In In1 1 3.43165632 3.43165632 3.43165632 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 5.14748448 5.14748448 5.14748448 1 [/CIF]
HgInVZr
F-43m
216
cubic
-43m
9,400.8821
false
[CIF] data_Bi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.32826743 _cell_length_b 11.32826743 _cell_length_c 11.32826743 _cell_angle_alpha 161.84914371 _cell_angle_beta 161.84914371 _cell_angle_gamma 25.77887297 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2Rh _chemical_formula_sum 'Bi4 Rh2' _cell_volume 141.03305642 _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 Bi Bi0 1 1.78685963 -0.00000000 4.03856944 1 Bi Bi1 1 0.00000000 -0.00000000 12.52566291 1 Bi Bi2 1 1.78685963 0.00000000 7.00425213 1 Bi Bi3 1 -0.00000000 0.00000000 9.55998023 1 Rh Rh4 1 -0.00000000 1.78685963 5.52141079 1 Rh Rh5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi4Rh2
I4_1/amd
141
tetragonal
4/mmm
12,265.869359
false
[CIF] data_Ba3NiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63501084 _cell_length_b 6.63501084 _cell_length_c 6.63501084 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3NiSn _chemical_formula_sum 'Ba3 Ni1 Sn1' _cell_volume 292.09552951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 3.31750542 0.00000000 3.31750542 1 Ba Ba2 1 3.31750542 3.31750542 0.00000000 1 Ba Ba3 1 0.00000000 3.31750542 3.31750542 1 Sn Sn4 1 3.31750542 3.31750542 3.31750542 1 [/CIF]
Ba3NiSn
Pm-3m
221
cubic
m-3m
3,350.60185
false
[CIF] data_TaNb2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38463556 _cell_length_b 4.38463556 _cell_length_c 3.57413444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2Zn _chemical_formula_sum 'Ta1 Nb2 Zn1' _cell_volume 68.71283824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19231778 1.78706722 1 Nb Nb1 1 2.19231778 0.00000000 1.78706722 1 Ta Ta2 1 2.19231778 2.19231778 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2TaZn
P4/mmm
123
tetragonal
4/mmm
10,443.265529
false
[CIF] data_YSi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00892413 _cell_length_b 5.00892413 _cell_length_c 5.00892413 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi2Sb _chemical_formula_sum 'Y1 Si2 Sb1' _cell_volume 88.86246642 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.54184422 3.54184422 3.54184422 1 Si Si1 1 1.77092211 1.77092211 1.77092211 1 Si Si2 1 5.31276633 5.31276633 5.31276633 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbSi2Y
Fm-3m
225
cubic
m-3m
4,986.278591
false
[CIF] data_CaBeNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84911683 _cell_length_b 2.84911683 _cell_length_c 9.01118245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeNb2 _chemical_formula_sum 'Ca1 Be1 Nb2' _cell_volume 73.14797331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 0.00000000 0.00000000 4.50559122 1 Nb Nb2 1 1.42455841 1.42455841 7.35241011 1 Nb Nb3 1 1.42455841 1.42455841 1.65877234 1 [/CIF]
BeCaNb2
P4/mmm
123
tetragonal
4/mmm
5,332.559373
false
[CIF] data_AlNiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20833580 _cell_length_b 4.20833580 _cell_length_c 4.20833580 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNiCl _chemical_formula_sum 'Al1 Ni1 Cl1' _cell_volume 52.70067300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 2.97574278 2.97574278 2.97574278 1 Ni Ni2 1 4.46361417 4.46361417 4.46361417 1 [/CIF]
AlClNi
F-43m
216
cubic
-43m
3,816.605418
false
[CIF] data_ScCd2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28683849 _cell_length_b 5.28683849 _cell_length_c 2.99239624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.85574122 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCd2Mo _chemical_formula_sum 'Sc1 Cd2 Mo1' _cell_volume 76.49385379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44249908 -2.21514372 1.49619812 1 Cd Cd1 1 1.44249908 2.21514372 1.49619812 1 Mo Mo2 1 2.88499817 -0.00000000 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2MoSc
Cmmm
65
orthorhombic
mmm
7,939.522557
false
[CIF] data_LiCdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41724927 _cell_length_b 5.41724927 _cell_length_c 5.41724927 _cell_angle_alpha 141.19209122 _cell_angle_beta 108.98619711 _cell_angle_gamma 83.99634941 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdCl2 _chemical_formula_sum 'Li1 Cd1 Cl2' _cell_volume 91.18925118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02591624 1 Cl Cl1 1 1.79975230 -0.00000000 1.63388775 1 Cl Cl2 1 0.00000000 3.14634387 2.39202849 1 Li Li3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
CdCl2Li
Immm
71
orthorhombic
mmm
3,464.562299
false
[CIF] data_SrCuBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55218435 _cell_length_b 5.55218435 _cell_length_c 6.11871232 _cell_angle_alpha 112.88814546 _cell_angle_beta 112.88814546 _cell_angle_gamma 44.24372096 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCuBi2 _chemical_formula_sum 'Sr1 Cu1 Bi2' _cell_volume 119.44214195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.88979834 0.00000000 4.66541345 1 Bi Bi1 1 6.82824322 -0.00000000 0.88791886 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 3.85902078 -0.00000000 2.77666616 1 [/CIF]
Bi2CuSr
C2/m
12
monoclinic
2/m
7,912.260027
false
[CIF] data_Zn2CoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60589079 _cell_length_b 8.60589079 _cell_length_c 8.60589079 _cell_angle_alpha 21.16929397 _cell_angle_beta 21.16929397 _cell_angle_gamma 21.16929397 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CoPb _chemical_formula_sum 'Zn2 Co1 Pb1' _cell_volume 72.80208414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.81507808 1 Pb Pb1 1 0.00000000 -0.00000000 19.16124443 1 Zn Zn2 1 -0.00000000 -0.00000000 24.96165793 1 Zn Zn3 1 -0.00000000 0.00000000 6.13762503 1 [/CIF]
CoPbZn2
R3m
160
trigonal
3m
9,052.716873
false
[CIF] data_Ta6Ni7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.26233083 _cell_length_b 9.26233083 _cell_length_c 9.26233083 _cell_angle_alpha 30.44734699 _cell_angle_beta 30.44734699 _cell_angle_gamma 30.44734699 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Ni7 _chemical_formula_sum 'Ta6 Ni7' _cell_volume 180.86684117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 -0.00000000 1.40658076 19.66443864 1 Ni Ni1 1 1.21813467 -0.70329038 19.66443864 1 Ni Ni2 1 -1.21813467 -0.70329038 19.66443864 1 Ni Ni3 1 -0.00000000 -1.40658076 6.81444350 1 Ni Ni4 1 1.21813467 0.70329038 6.81444350 1 Ni Ni5 1 -1.21813467 0.70329038 6.81444350 1 Ni Ni6 1 0.00000000 -0.00000000 -0.00000000 1 Ta Ta7 1 -0.00000000 -0.00000000 11.92708015 1 Ta Ta8 1 -0.00000000 -0.00000000 14.55180199 1 Ta Ta9 1 0.00000000 0.00000000 9.09725077 1 Ta Ta10 1 -0.00000000 -0.00000000 17.38163137 1 Ta Ta11 1 -0.00000000 -0.00000000 4.46886609 1 Ta Ta12 1 0.00000000 -0.00000000 22.01001605 1 [/CIF]
Ni7Ta6
R-3m
166
trigonal
-3m
13,739.748588
false
[CIF] data_Tl2PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48668909 _cell_length_b 5.48668909 _cell_length_c 5.48668909 _cell_angle_alpha 133.34323140 _cell_angle_beta 133.34323140 _cell_angle_gamma 68.11563562 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2PdAu _chemical_formula_sum 'Tl2 Pd1 Au1' _cell_volume 85.83426557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17273136 2.27278651 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 2.17273136 -0.00000000 2.27278651 1 Tl Tl3 1 0.00000000 -0.00000000 4.54557302 1 [/CIF]
AuPdTl2
I-4m2
119
tetragonal
-42m
13,777.226969
false
[CIF] data_SrCaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76520145 _cell_length_b 3.76520145 _cell_length_c 8.76559321 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaSb2 _chemical_formula_sum 'Sr1 Ca1 Sb2' _cell_volume 124.26755306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.88260073 1.88260073 2.09585264 1 Sb Sb2 1 1.88260073 1.88260073 6.66974057 1 Sr Sr3 1 0.00000000 0.00000000 4.38279661 1 [/CIF]
CaSb2Sr
P4/mmm
123
tetragonal
4/mmm
4,960.442015
false
[CIF] data_TaSb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34963379 _cell_length_b 3.34963379 _cell_length_c 6.84186513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSb2W _chemical_formula_sum 'Ta1 Sb2 W1' _cell_volume 76.76604509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67481690 1.67481690 5.08019624 1 Sb Sb1 1 1.67481690 1.67481690 1.76166889 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.42093257 1 [/CIF]
Sb2TaW
P4/mmm
123
tetragonal
4/mmm
13,158.431701
false
[CIF] data_Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02826995 _cell_length_b 4.02826995 _cell_length_c 4.02826995 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo _chemical_formula_sum Mo2 _cell_volume 46.22114534 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.42420850 1.42420850 1.42420850 1 [/CIF]
Mo2
Fd-3m
227
cubic
m-3m
6,894.910443
false
[CIF] data_Re2RhBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86823429 _cell_length_b 4.86823429 _cell_length_c 4.91751368 _cell_angle_alpha 98.56531826 _cell_angle_beta 98.56531826 _cell_angle_gamma 34.74911644 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2RhBr _chemical_formula_sum 'Re2 Rh1 Br1' _cell_volume 65.61413668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.66141787 0.00000000 1.41008070 1 Re Re1 1 8.39883873 -0.00000000 4.63133489 1 Re Re2 1 1.83990359 0.00000000 3.58698288 1 Rh Rh3 1 4.41186324 -0.00000000 2.51476241 1 [/CIF]
BrRe2Rh
Cm
8
monoclinic
m
14,051.397445
false
[CIF] data_HfVGaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48568985 _cell_length_b 4.48568985 _cell_length_c 4.48568985 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVGaIr _chemical_formula_sum 'Hf1 V1 Ga1 Ir1' _cell_volume 63.82234076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17186171 3.17186171 3.17186171 1 Hf Hf1 1 1.58593086 1.58593086 1.58593085 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 4.75779256 4.75779257 4.75779256 1 [/CIF]
Ga8Hf8Ir8V8
F-43m
216
cubic
-43m
12,784.576094
false
[CIF] data_NiMo3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09365965 _cell_length_b 4.09365965 _cell_length_c 4.09365965 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMo3C _chemical_formula_sum 'Ni1 Mo3 C1' _cell_volume 68.60175036 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04682983 2.04682983 2.04682983 1 Mo Mo1 1 0.00000000 2.04682983 0.00000000 1 Mo Mo2 1 0.00000000 0.00000000 2.04682983 1 Mo Mo3 1 2.04682983 0.00000000 0.00000000 1 C C4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CMo3Ni
Pm-3m
221
cubic
m-3m
8,679.704288
false
[CIF] data_Sc2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62560686 _cell_length_b 5.62560686 _cell_length_c 5.62560686 _cell_angle_alpha 135.40167152 _cell_angle_beta 135.40167152 _cell_angle_gamma 64.90672944 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2InAg _chemical_formula_sum 'Sc2 In1 Ag1' _cell_volume 86.51962615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74704737 1 In In1 1 -0.00000000 2.13459525 2.37352368 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 2.13459525 0.00000000 2.37352368 1 [/CIF]
AgInSc2
I-4m2
119
tetragonal
-42m
5,999.577831
false
[CIF] data_KCrSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90449083 _cell_length_b 5.90449083 _cell_length_c 5.90449083 _cell_angle_alpha 136.68178575 _cell_angle_beta 136.68178575 _cell_angle_gamma 62.92802654 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrSb2 _chemical_formula_sum 'K1 Cr1 Sb2' _cell_volume 95.67302326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17925030 2.51817137 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 2.17925030 -0.00000000 2.51817137 1 Sb Sb3 1 0.00000000 -0.00000000 5.03634274 1 [/CIF]
CrKSb2
I-4m2
119
tetragonal
-42m
5,807.700693
false
[CIF] data_CaMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29739103 _cell_length_b 3.29739103 _cell_length_c 7.83212259 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnSb2 _chemical_formula_sum 'Ca1 Mn1 Sb2' _cell_volume 85.15700542 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.00000000 0.00000000 3.91606129 1 Sb Sb2 1 1.64869552 1.64869552 5.47177570 1 Sb Sb3 1 1.64869552 1.64869552 2.36034689 1 [/CIF]
CaMnSb2
P4/mmm
123
tetragonal
4/mmm
6,601.363275
false
[CIF] data_Fe2PW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02154944 _cell_length_b 3.02154944 _cell_length_c 5.53541848 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2PW _chemical_formula_sum 'Fe2 P1 W1' _cell_volume 50.53704786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.16528555 1 Fe Fe1 1 1.51077472 1.51077472 1.38974231 1 P P2 1 0.00000000 0.00000000 2.67614002 1 W W3 1 1.51077472 1.51077472 4.07195984 1 [/CIF]
Fe2PW
P4mm
99
tetragonal
4mm
10,728.213759
false
[CIF] data_HfMg2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48153679 _cell_length_b 5.48153679 _cell_length_c 3.04535273 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.80595031 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg2P _chemical_formula_sum 'Hf1 Mg2 P1' _cell_volume 78.59379629 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.70731302 -0.00000000 0.00000000 1 Mg Mg1 1 1.35365651 -2.38315451 1.52267637 1 Mg Mg2 1 1.35365651 2.38315451 1.52267637 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfMg2P
Cmmm
65
orthorhombic
mmm
5,452.613108
false
[CIF] data_Na2LaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09372195 _cell_length_b 5.09372195 _cell_length_c 5.09372195 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LaIr _chemical_formula_sum 'Na2 La1 Ir1' _cell_volume 93.45245287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.40270800 5.40270800 5.40270800 1 La La1 1 3.60180533 3.60180533 3.60180533 1 Na Na2 1 1.80090266 1.80090267 1.80090266 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrLaNa2
F-43m
216
cubic
-43m
6,700.654697
false
[CIF] data_CoTeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89306389 _cell_length_b 3.67756790 _cell_length_c 5.91475618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTeOs2 _chemical_formula_sum 'Co1 Te1 Os2' _cell_volume 62.92968695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.54680764 1 Os Os1 1 1.44653194 1.83878395 5.88688165 1 Os Os2 1 0.00000000 0.00000000 1.19557924 1 Te Te3 1 1.44653194 1.83878395 3.15762198 1 [/CIF]
CoOs2Te
Pmm2
25
orthorhombic
mm2
14,961.370323
false
[CIF] data_Ta4AgB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38906464 _cell_length_b 5.38906464 _cell_length_c 5.38906464 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4AgB _chemical_formula_sum 'Ta4 Ag1 B1' _cell_volume 110.66879476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.71596622 5.71596622 5.71596622 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.76533969 4.76533969 2.85594861 1 Ta Ta3 1 4.76533969 2.85594861 4.76533969 1 Ta Ta4 1 2.85594861 4.76533969 4.76533969 1 Ta Ta5 1 2.85594861 2.85594861 2.85594861 1 [/CIF]
AgBTa4
F-43m
216
cubic
-43m
12,640.921463
false
[CIF] data_TiTlSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86215941 _cell_length_b 4.86215941 _cell_length_c 4.86215941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTlSnPt _chemical_formula_sum 'Ti1 Tl1 Sn1 Pt1' _cell_volume 81.27792029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 5.15709883 5.15709883 5.15709884 1 Sn Sn1 1 3.43806589 3.43806589 3.43806589 1 Ti Ti2 1 -0.00000000 -0.00000000 0.00000000 1 Tl Tl3 1 1.71903294 1.71903294 1.71903294 1 [/CIF]
PtSnTiTl
F-43m
216
cubic
-43m
11,564.502022
false
[CIF] data_TlOsPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59961769 _cell_length_b 4.59961769 _cell_length_c 4.59961769 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlOsPdPt _chemical_formula_sum 'Tl1 Os1 Pd1 Pt1' _cell_volume 68.80978631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.87863129 4.87863129 4.87863129 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.25242086 3.25242086 3.25242086 1 Tl Tl3 1 1.62621043 1.62621043 1.62621043 1 [/CIF]
OsPdPtTl
F-43m
216
cubic
-43m
16,798.9182
false
[CIF] data_AlSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96859774 _cell_length_b 5.96859774 _cell_length_c 5.96859774 _cell_angle_alpha 147.63737811 _cell_angle_beta 147.63737811 _cell_angle_gamma 46.42095785 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSe2 _chemical_formula_sum 'Al1 Se2' _cell_volume 60.70539092 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 -0.00000000 0.00000000 6.95846992 1 Se Se2 1 0.00000000 0.00000000 4.01256806 1 [/CIF]
AlSe2
I4/mmm
139
tetragonal
4/mmm
5,057.808271
false
[CIF] data_CaMgTlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95435860 _cell_length_b 4.95435860 _cell_length_c 4.95435860 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgTlRe _chemical_formula_sum 'Ca1 Mg1 Tl1 Re1' _cell_volume 85.98987449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.50326056 3.50326056 3.50326056 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 5.25489084 5.25489084 5.25489084 1 Tl Tl3 1 1.75163028 1.75163028 1.75163028 1 [/CIF]
CaMgReTl
F-43m
216
cubic
-43m
8,785.929081
false
[CIF] data_Cr2TcB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46014082 _cell_length_b 4.46014082 _cell_length_c 4.46014082 _cell_angle_alpha 134.24322260 _cell_angle_beta 134.24322260 _cell_angle_gamma 66.70836238 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2TcB _chemical_formula_sum 'Cr2 Tc1 B1' _cell_volume 44.80657782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.73399777 -0.00000000 1.86275063 1 Cr Cr2 1 0.00000000 -0.00000000 3.72550126 1 Tc Tc3 1 0.00000000 1.73399777 1.86275063 1 [/CIF]
BCr2Tc
I-4m2
119
tetragonal
-42m
7,920.105147
false
[CIF] data_CaMg3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09678256 _cell_length_b 5.09678256 _cell_length_c 5.09678256 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg3P _chemical_formula_sum 'Ca1 Mg3 P1' _cell_volume 132.40010151 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 2.54839128 2.54839128 2.54839128 1 Mg Mg2 1 0.00000000 2.54839128 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 2.54839128 1 Mg Mg4 1 2.54839128 0.00000000 0.00000000 1 [/CIF]
CaMg3P
Pm-3m
221
cubic
m-3m
1,805.606113
false
[CIF] data_Be2CoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95563685 _cell_length_b 3.95563685 _cell_length_c 3.95563685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2CoW _chemical_formula_sum 'Be2 Co1 W1' _cell_volume 43.76573678 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 4.19558646 4.19558646 4.19558646 1 Co Co2 1 2.79705764 2.79705764 2.79705764 1 W W3 1 1.39852882 1.39852882 1.39852882 1 [/CIF]
Be2CoW
F-43m
216
cubic
-43m
9,895.058716
false
[CIF] data_CaTl3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32062133 _cell_length_b 5.32062133 _cell_length_c 5.32062133 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTl3Os _chemical_formula_sum 'Ca1 Tl3 Os1' _cell_volume 150.62152955 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 2.66031067 0.00000000 2.66031067 1 Tl Tl1 1 2.66031067 2.66031067 0.00000000 1 Tl Tl2 1 0.00000000 2.66031067 2.66031067 1 Os Os3 1 2.66031067 2.66031067 2.66031067 1 Ca Ca4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaOsTl3
Pm-3m
221
cubic
m-3m
9,298.768895
false
[CIF] data_Ta2TiNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85308503 _cell_length_b 4.64006277 _cell_length_c 5.49070992 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.69987255 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TiNb _chemical_formula_sum 'Ta2 Ti1 Nb1' _cell_volume 71.64955884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.96398538 0.00000000 2.70610694 1 Ta Ta1 1 0.09064583 2.32003139 4.06016432 1 Ta Ta2 1 1.83732493 2.32003139 1.35204956 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbTa2Ti
P2/m
10
monoclinic
2/m
11,649.782051
false
[CIF] data_Be2FeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71456524 _cell_length_b 2.71456524 _cell_length_c 5.51355581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2FeRh _chemical_formula_sum 'Be2 Fe1 Rh1' _cell_volume 40.62864536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.13905089 1 Be Be1 1 1.35728262 1.35728262 1.27142674 1 Fe Fe2 1 0.00000000 0.00000000 2.56498903 1 Rh Rh3 1 1.35728262 1.35728262 4.29486706 1 [/CIF]
Be2FeRh
P4mm
99
tetragonal
4mm
7,224.990277
false
[CIF] data_ScIn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83576304 _cell_length_b 4.83576304 _cell_length_c 4.83576304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScIn2Pd _chemical_formula_sum 'Sc1 In2 Pd1' _cell_volume 79.96133528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12910126 5.12910126 5.12910126 1 In In1 1 1.70970042 1.70970042 1.70970042 1 Pd Pd2 1 3.41940084 3.41940084 3.41940084 1 Sc Sc3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
In2PdSc
Fm-3m
225
cubic
m-3m
7,912.388688
false
[CIF] data_LiMo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70135294 _cell_length_b 2.70135294 _cell_length_c 8.24367387 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMo2Pt _chemical_formula_sum 'Li1 Mo2 Pt1' _cell_volume 60.15662486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.35067647 1.35067647 2.02570924 1 Mo Mo2 1 1.35067647 1.35067647 6.21796463 1 Pt Pt3 1 0.00000000 0.00000000 4.12183694 1 [/CIF]
LiMo2Pt
P4/mmm
123
tetragonal
4/mmm
10,874.297953
false
[CIF] data_Li2TiRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57484432 _cell_length_b 3.57484432 _cell_length_c 4.79146184 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiRe _chemical_formula_sum 'Li2 Ti1 Re1' _cell_volume 61.23254366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78742216 2.39573092 1 Li Li1 1 1.78742216 0.00000000 2.39573092 1 Re Re2 1 1.78742216 1.78742216 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2ReTi
P4/mmm
123
tetragonal
4/mmm
6,724.212325
false
[CIF] data_LiGa4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38517612 _cell_length_b 5.38517612 _cell_length_c 5.38517612 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGa4Ag _chemical_formula_sum 'Li1 Ga4 Ag1' _cell_volume 110.42940578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90394727 1.90394727 1.90394727 1 Ga Ga1 1 4.76160728 2.85418182 2.85418182 1 Ga Ga2 1 2.85418182 2.85418182 4.76160728 1 Ga Ga3 1 2.85418182 4.76160728 2.85418182 1 Ga Ga4 1 4.76160728 4.76160728 4.76160728 1 Li Li5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGa4Li
F-43m
216
cubic
-43m
5,920.128054
false
[CIF] data_Mg2ZrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75599209 _cell_length_b 9.75599209 _cell_length_c 9.75599209 _cell_angle_alpha 17.64380252 _cell_angle_beta 17.64380252 _cell_angle_gamma 17.64380252 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ZrCo _chemical_formula_sum 'Mg2 Zr1 Co1' _cell_volume 74.46127544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 -0.00000000 0.00000000 21.21796018 1 Mg Mg2 1 -0.00000000 0.00000000 7.58743109 1 Zr Zr3 1 -0.00000000 -0.00000000 14.40269563 1 [/CIF]
CoMg2Zr
R-3m
166
trigonal
-3m
4,432.648923
false
[CIF] data_Mg3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57282520 _cell_length_b 5.57282520 _cell_length_c 5.57282520 _cell_angle_alpha 133.74317622 _cell_angle_beta 132.14322637 _cell_angle_gamma 68.75152538 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3In _chemical_formula_sum 'Mg3 In1' _cell_volume 91.02940145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 4.59954475 1 Mg Mg1 1 2.18896779 -0.00000000 2.30995604 1 Mg Mg2 1 0.00000000 2.26030724 2.28958871 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InMg3
Immm
71
orthorhombic
mmm
3,424.585635
false
[CIF] data_SrScCdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06842018 _cell_length_b 5.06842018 _cell_length_c 5.06842018 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrScCdW _chemical_formula_sum 'Sr1 Sc1 Cd1 W1' _cell_volume 92.06675510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79195714 1.79195714 1.79195714 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.37587142 5.37587142 5.37587142 1 W W3 1 3.58391428 3.58391428 3.58391428 1 [/CIF]
CdScSrW
F-43m
216
cubic
-43m
7,734.429648
false
[CIF] data_K2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12659468 _cell_length_b 6.12659468 _cell_length_c 6.12659468 _cell_angle_alpha 139.43613004 _cell_angle_beta 139.43613004 _cell_angle_gamma 58.71046391 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2P _chemical_formula_sum 'K2 P1' _cell_volume 96.33639314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.77006348 1 K K1 1 -0.00000000 0.00000000 6.90978098 1 P P2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2P
I4/mmm
139
tetragonal
4/mmm
1,881.756677
false
[CIF] data_LiLaTiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01429534 _cell_length_b 5.01429534 _cell_length_c 5.01429534 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaTiHg _chemical_formula_sum 'Li1 La1 Ti1 Hg1' _cell_volume 89.14864230 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31846336 5.31846336 5.31846336 1 La La1 1 1.77282112 1.77282112 1.77282112 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 3.54564224 3.54564224 3.54564224 1 [/CIF]
HgLaLiTi
F-43m
216
cubic
-43m
7,344.546133
false
[CIF] data_MnOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42668476 _cell_length_b 4.42668476 _cell_length_c 4.42668476 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnOs3 _chemical_formula_sum 'Mn1 Os3' _cell_volume 86.74326927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 0.00000000 2.21334238 1 Os Os2 1 0.00000000 2.21334238 0.00000000 1 Os Os3 1 2.21334238 0.00000000 0.00000000 1 [/CIF]
MnOs3
Pm-3m
221
cubic
m-3m
11,976.488996
false
[CIF] data_BeAl2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73584198 _cell_length_b 3.77578176 _cell_length_c 5.52296541 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAl2Zn _chemical_formula_sum 'Be1 Al2 Zn1' _cell_volume 57.05191379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.36792099 1.88789088 4.21422740 1 Al Al1 1 1.36792099 1.88789088 1.30873801 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 2.76148270 1 [/CIF]
Al2BeZn
Pmmm
47
orthorhombic
mmm
3,736.06204
false
[CIF] data_Hg2BPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02545479 _cell_length_b 5.95422505 _cell_length_c 5.95422505 _cell_angle_alpha 43.32005406 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2BPb _chemical_formula_sum 'Hg2 B1 Pb1' _cell_volume 97.91197170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.15852804 1 Hg Hg1 1 2.01272739 -0.00000000 9.99162652 1 Hg Hg2 1 0.00000000 0.00000000 2.94029092 1 Pb Pb3 1 2.01272739 0.00000000 6.59285997 1 [/CIF]
BHg2Pb
Amm2
38
orthorhombic
mm2
10,501.201334
false
[CIF] data_GdTl2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95975653 _cell_length_b 4.95975653 _cell_length_c 4.95975653 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdTl2Tc _chemical_formula_sum 'Gd1 Tl2 Tc1' _cell_volume 86.27124725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 3.50707748 3.50707748 3.50707748 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.26061622 5.26061622 5.26061622 1 Tl Tl3 1 1.75353874 1.75353874 1.75353874 1 [/CIF]
GdTcTl2
Fm-3m
225
cubic
m-3m
12,798.357749
false
[CIF] data_Y2HgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18927064 _cell_length_b 5.18927064 _cell_length_c 3.67126500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.00885979 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2HgAu _chemical_formula_sum 'Y2 Hg1 Au1' _cell_volume 98.84644381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 3.63692169 0.00000000 0.00000000 1 Y Y2 1 1.81846085 -1.85076541 1.83563250 1 Y Y3 1 1.81846085 1.85076541 1.83563250 1 [/CIF]
AuHgY2
Cmmm
65
orthorhombic
mmm
9,665.714329
false
[CIF] data_SrAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22929973 _cell_length_b 7.22929973 _cell_length_c 7.22929973 _cell_angle_alpha 155.77808089 _cell_angle_beta 155.77808089 _cell_angle_gamma 34.52019891 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAgOs _chemical_formula_sum 'Sr1 Ag1 Os1' _cell_volume 63.52891803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.54308812 1 Os Os1 1 -0.00000000 0.00000000 4.74180897 1 Sr Sr2 1 0.00000000 -0.00000000 9.33009267 1 [/CIF]
AgOsSr
I4mm
107
tetragonal
4mm
10,082.449394
false
[CIF] data_HfNiHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62616143 _cell_length_b 4.62616143 _cell_length_c 4.62616143 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNiHgW _chemical_formula_sum 'Hf1 Ni1 Hg1 W1' _cell_volume 70.00794880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.90678518 4.90678518 4.90678518 1 Hg Hg1 1 1.63559506 1.63559506 1.63559506 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.27119012 3.27119012 3.27119012 1 [/CIF]
HfHgNiW
F-43m
216
cubic
-43m
14,744.230516
false
[CIF] data_Ba4LaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31794009 _cell_length_b 7.31794009 _cell_length_c 7.31794009 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4LaAs _chemical_formula_sum 'Ba4 La1 As1' _cell_volume 277.10958683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 6.48273047 6.48273047 3.86639965 1 Ba Ba2 1 6.48273047 3.86639965 6.48273047 1 Ba Ba3 1 3.86639965 6.48273047 6.48273047 1 Ba Ba4 1 3.86639965 3.86639965 3.86639965 1 La La5 1 7.76184759 7.76184759 7.76184759 1 [/CIF]
AsBa4La
F-43m
216
cubic
-43m
4,572.976386
false
[CIF] data_MnBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09066307 _cell_length_b 6.09066307 _cell_length_c 6.09066307 _cell_angle_alpha 151.12483095 _cell_angle_beta 151.12483095 _cell_angle_gamma 41.29273789 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBiRu _chemical_formula_sum 'Mn1 Bi1 Ru1' _cell_volume 52.57233486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.34739557 1 Mn Mn1 1 0.00000000 -0.00000000 3.50821841 1 Ru Ru2 1 -0.00000000 -0.00000000 7.94233434 1 [/CIF]
BiMnRu
I4mm
107
tetragonal
4mm
11,528.450723
false
[CIF] data_Pt2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.23122789 _cell_length_b 9.23122789 _cell_length_c 2.77883848 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 160.23521481 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pt2C _chemical_formula_sum 'Pt4 C2' _cell_volume 80.07628954 _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 C C0 1 1.58432205 -7.13180049 2.08412886 1 C C1 1 1.58432205 7.13180049 0.69470962 1 Pt Pt2 1 1.58432205 -1.26307666 2.08412886 1 Pt Pt3 1 1.58432205 1.26307666 0.69470962 1 Pt Pt4 1 1.58432205 5.52186163 2.08412886 1 Pt Pt5 1 1.58432205 -5.52186163 0.69470962 1 [/CIF]
C2Pt4
Cmcm
63
orthorhombic
mmm
16,679.929776
false
[CIF] data_P3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95886314 _cell_length_b 6.95886314 _cell_length_c 6.55258761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P3Se _chemical_formula_sum 'P12 Se4' _cell_volume 274.80210753 _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 P P0 1 -1.73971579 3.01327613 3.27629380 1 P P1 1 -1.73971579 3.01327613 0.00000000 1 P P2 1 1.73971579 3.01327613 3.27629380 1 P P3 1 3.47943157 0.00000000 3.27629380 1 P P4 1 3.47943157 0.00000000 0.00000000 1 P P5 1 1.73971579 3.01327613 0.00000000 1 P P6 1 1.59858787 4.94064664 4.91444071 1 P P7 1 1.88084371 1.08590562 1.63814690 1 P P8 1 -1.59858787 4.94064664 4.91444071 1 P P9 1 -0.00000000 2.17181124 4.91444071 1 P P10 1 3.47943157 3.85474103 1.63814690 1 P P11 1 5.07801944 1.08590562 1.63814690 1 Se Se12 1 0.00000000 0.00000000 3.27629380 1 Se Se13 1 0.00000000 0.00000000 0.00000000 1 Se Se14 1 3.47943157 2.00885075 4.91444071 1 Se Se15 1 0.00000000 4.01770151 1.63814690 1 [/CIF]
P12Se4
P6_3/mmc
194
hexagonal
6/mmm
4,154.4891
false
[CIF] data_CsIrRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86948976 _cell_length_b 4.86948976 _cell_length_c 4.86948976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsIrRu3 _chemical_formula_sum 'Cs1 Ru3 Ir1' _cell_volume 115.46500287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 2.43474488 0.00000000 2.43474488 1 Ru Ru2 1 2.43474488 2.43474488 0.00000000 1 Ru Ru3 1 0.00000000 2.43474488 2.43474488 1 Ir Ir4 1 2.43474488 2.43474488 2.43474488 1 [/CIF]
CsIrRu3
Pm-3m
221
cubic
m-3m
9,036.249576
false
[CIF] data_Tm4B3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45059189 _cell_length_b 3.54812906 _cell_length_c 11.78594873 _cell_angle_alpha 92.81361621 _cell_angle_beta 96.07037570 _cell_angle_gamma 90.18903167 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4B3C4 _chemical_formula_sum 'Tm4 B3 C4' _cell_volume 143.30976286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tm Tm0 1 1.97056310 -0.29489515 7.61460614 1 Tm Tm1 1 0.22195933 3.26035128 4.09076358 1 Tm Tm2 1 0.25826645 1.46938873 10.07152439 1 Tm Tm3 1 1.93425598 1.49606740 1.63384534 1 B B4 1 0.00000000 0.00000000 0.00000000 1 B B5 1 0.24484440 1.48114884 6.32294247 1 B B6 1 1.94767803 1.48430728 5.38242725 1 C C7 1 1.96939833 -0.28140810 10.28831650 1 C C8 1 0.22312409 3.24686423 1.41705323 1 C C9 1 0.24380151 1.48046389 7.82632842 1 C C10 1 1.94872092 1.48499223 3.87904130 1 [/CIF]
C4B3Tm4
P-1
2
triclinic
-1
8,762.282529
false
[CIF] data_Mg2HgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21023384 _cell_length_b 3.21023384 _cell_length_c 7.07003949 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2HgRh _chemical_formula_sum 'Mg2 Hg1 Rh1' _cell_volume 72.86100821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53501975 1 Mg Mg1 1 1.60511692 1.60511692 5.59924030 1 Mg Mg2 1 1.60511692 1.60511692 1.47079919 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgMg2Rh
P4/mmm
123
tetragonal
4/mmm
8,024.661649
false
[CIF] data_Li2ZrGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46039425 _cell_length_b 4.43989189 _cell_length_c 4.78191236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZrGa _chemical_formula_sum 'Li2 Zr1 Ga1' _cell_volume 73.46823210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73019712 0.00000000 2.39095618 1 Li Li1 1 1.73019712 2.21994595 0.00000000 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 2.21994595 2.39095618 1 [/CIF]
GaLi2Zr
Pmmm
47
orthorhombic
mmm
3,951.509056
false
[CIF] data_Pt4AuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32250656 _cell_length_b 5.32250656 _cell_length_c 5.32250656 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pt4AuSe _chemical_formula_sum 'Pt4 Au1 Se1' _cell_volume 106.61875767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88179024 1.88179024 1.88179024 1 Pt Pt1 1 2.82076927 2.82076927 4.70639169 1 Pt Pt2 1 2.82076927 4.70639169 2.82076927 1 Pt Pt3 1 4.70639169 2.82076927 2.82076927 1 Pt Pt4 1 4.70639169 4.70639169 4.70639169 1 Se Se5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuPt4Se
F-43m
216
cubic
-43m
16,450.813147
false
[CIF] data_BeTlBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94712224 _cell_length_b 4.94712224 _cell_length_c 4.94712224 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTlBr _chemical_formula_sum 'Be1 Tl1 Br1' _cell_volume 85.61363283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 5.24721552 5.24721552 5.24721552 1 Tl Tl2 1 1.74907184 1.74907184 1.74907184 1 [/CIF]
BeBrTl
F-43m
216
cubic
-43m
5,688.75811
false
[CIF] data_SrCr4Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03811695 _cell_length_b 5.03811695 _cell_length_c 5.03811695 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCr4Tc _chemical_formula_sum 'Sr1 Cr4 Tc1' _cell_volume 90.42525371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.68140626 2.68140626 4.44356706 1 Cr Cr1 1 2.68140626 4.44356706 2.68140626 1 Cr Cr2 1 4.44356706 2.68140626 2.68140626 1 Cr Cr3 1 4.44356706 4.44356706 4.44356706 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 Tc Tc5 1 1.78124333 1.78124333 1.78124333 1 [/CIF]
Cr4SrTc
F-43m
216
cubic
-43m
7,244.660497
false
[CIF] data_BiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49586600 _cell_length_b 8.49586600 _cell_length_c 7.90644990 _cell_angle_alpha 114.57045026 _cell_angle_beta 114.57045026 _cell_angle_gamma 28.34198419 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiBr2 _chemical_formula_sum 'Bi2 Br4' _cell_volume 244.74401890 _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 Bi Bi0 1 7.73156834 -0.00000000 1.54726555 1 Bi Bi1 1 5.35231683 -0.00000000 5.59518296 1 Br Br2 1 1.36378504 -0.00000000 2.34097964 1 Br Br3 1 11.72010013 -0.00000000 4.80146887 1 Br Br4 1 -0.86961905 0.00000000 5.96951461 1 Br Br5 1 13.95350422 -0.00000000 1.17293389 1 [/CIF]
Bi2Br4
C2/m
12
monoclinic
2/m
5,004.310612
false
[CIF] data_HfScAgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66561740 _cell_length_b 4.66561740 _cell_length_c 4.66561740 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScAgPt _chemical_formula_sum 'Hf1 Sc1 Ag1 Pt1' _cell_volume 71.81453740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64954485 1.64954485 1.64954485 1 Hf Hf1 1 4.94863455 4.94863455 4.94863455 1 Pt Pt2 1 3.29908970 3.29908970 3.29908970 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHfPtSc
F-43m
216
cubic
-43m
12,171.694773
false
[CIF] data_YCuIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55188612 _cell_length_b 4.55188612 _cell_length_c 4.55188612 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCuIrOs _chemical_formula_sum 'Y1 Cu1 Ir1 Os1' _cell_volume 66.68976175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.60933477 1.60933477 1.60933477 1 Os Os2 1 4.82800431 4.82800431 4.82800431 1 Y Y3 1 3.21866954 3.21866954 3.21866954 1 [/CIF]
CuIrOsY
F-43m
216
cubic
-43m
13,318.692613
false
[CIF] data_CaNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83299901 _cell_length_b 4.36841063 _cell_length_c 5.34083305 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.37917515 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNi2Pt _chemical_formula_sum 'Ca1 Ni2 Pt1' _cell_volume 65.01502655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.74368008 2.18420531 1.60475105 1 Ni Ni2 1 0.12710568 2.18420531 3.64869004 1 Pt Pt3 1 0.93539288 0.00000000 2.62672055 1 [/CIF]
CaNi2Pt
P2/m
10
monoclinic
2/m
9,004.396158
false
[CIF] data_VSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34946419 _cell_length_b 3.34946419 _cell_length_c 13.16693215 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00433820 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSe2 _chemical_formula_sum 'V2 Se4' _cell_volume 127.92249504 _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 Se Se0 1 1.67462228 0.96657353 11.59171669 1 Se Se1 1 1.67462228 1.93421095 5.00825061 1 Se Se2 1 1.67462228 -1.93421095 8.15868154 1 Se Se3 1 1.67462228 -0.96657353 1.57521546 1 V V4 1 1.67462228 -0.00000000 6.58346607 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Se8V4
Cmce
64
orthorhombic
mmm
5,422.387676
false
[CIF] data_Sr2AlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62387770 _cell_length_b 5.62387770 _cell_length_c 3.86748409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlZn _chemical_formula_sum 'Sr2 Al1 Zn1' _cell_volume 122.32078825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 0.00000000 2.81193885 1.93374205 1 Sr Sr2 1 2.81193885 0.00000000 1.93374205 1 Zn Zn3 1 2.81193885 2.81193885 0.00000000 1 [/CIF]
AlSr2Zn
P4/mmm
123
tetragonal
4/mmm
3,632.773601
false
[CIF] data_YCr2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02186165 _cell_length_b 3.02186165 _cell_length_c 6.85143035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2Si _chemical_formula_sum 'Y1 Cr2 Si1' _cell_volume 62.56484889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.49344611 1 Cr Cr1 1 1.51093082 1.51093082 1.63705836 1 Si Si2 1 0.00000000 0.00000000 3.00631432 1 Y Y3 1 1.51093082 1.51093082 5.14032673 1 [/CIF]
Cr2SiY
P4mm
99
tetragonal
4mm
5,865.145928
false
[CIF] data_BaSnPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25130824 _cell_length_b 6.25130824 _cell_length_c 6.25130824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSnPb3 _chemical_formula_sum 'Ba1 Sn1 Pb3' _cell_volume 244.29396647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 3.12565412 0.00000000 3.12565412 1 Pb Pb1 1 3.12565412 3.12565412 0.00000000 1 Pb Pb2 1 0.00000000 3.12565412 3.12565412 1 Ba Ba3 1 3.12565412 3.12565412 3.12565412 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPb3Sn
Pm-3m
221
cubic
m-3m
5,965.56086
false
[CIF] data_CaTaAlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16651776 _cell_length_b 5.16651776 _cell_length_c 5.16651776 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaAlPb _chemical_formula_sum 'Ca1 Ta1 Al1 Pb1' _cell_volume 97.51665166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 -0.00000000 0.00000000 1 Ca Ca1 1 5.47991961 5.47991961 5.47991961 1 Pb Pb2 1 1.82663987 1.82663987 1.82663987 1 Ta Ta3 1 3.65327974 3.65327974 3.65327974 1 [/CIF]
AlCaPbTa
F-43m
216
cubic
-43m
7,751.391061
false
[CIF] data_TiBe2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75032978 _cell_length_b 2.75032978 _cell_length_c 5.95561884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBe2Cu _chemical_formula_sum 'Ti1 Be2 Cu1' _cell_volume 45.05017037 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.37516489 1.37516489 1.72353191 1 Be Be1 1 1.37516489 1.37516489 4.23208693 1 Cu Cu2 1 0.00000000 0.00000000 2.97780942 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2CuTi
P4/mmm
123
tetragonal
4/mmm
4,771.031893
false
[CIF] data_NbReSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26632053 _cell_length_b 5.26632053 _cell_length_c 5.08050404 _cell_angle_alpha 109.13598167 _cell_angle_beta 109.13598167 _cell_angle_gamma 36.31537837 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbReSn2 _chemical_formula_sum 'Nb1 Re1 Sn2' _cell_volume 78.32397526 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 4.42466948 0.00000000 2.28996152 1 Re Re1 1 0.91852008 0.00000000 3.71091445 1 Sn Sn2 1 8.17270741 0.00000000 4.52216938 1 Sn Sn3 1 7.12263599 0.00000000 1.39843364 1 [/CIF]
NbReSn2
Cm
8
monoclinic
m
10,950.974511
false
[CIF] data_CdBi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87217279 _cell_length_b 3.87217279 _cell_length_c 7.11842294 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBi2P _chemical_formula_sum 'Cd1 Bi2 P1' _cell_volume 106.73165519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93608639 1.93608639 6.59485823 1 Bi Bi1 1 0.00000000 0.00000000 2.13028174 1 Cd Cd2 1 1.93608639 1.93608639 3.62344734 1 P P3 1 0.00000000 0.00000000 5.44747011 1 [/CIF]
Bi2CdP
P4mm
99
tetragonal
4mm
8,733.778522
false
[CIF] data_KMnBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07524663 _cell_length_b 5.07524663 _cell_length_c 5.07524663 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnBiPt _chemical_formula_sum 'K1 Mn1 Bi1 Pt1' _cell_volume 92.43925939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58874131 3.58874131 3.58874131 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 5.38311197 5.38311197 5.38311197 1 Pt Pt3 1 1.79437066 1.79437066 1.79437066 1 [/CIF]
BiKMnPt
F-43m
216
cubic
-43m
8,947.667384
false
[CIF] data_Ca3PdC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39474321 _cell_length_b 5.39474321 _cell_length_c 5.39474321 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3PdC _chemical_formula_sum 'Ca3 Pd1 C1' _cell_volume 157.00458353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.69737160 0.00000000 2.69737160 1 Ca Ca1 1 2.69737160 2.69737160 0.00000000 1 Ca Ca2 1 0.00000000 2.69737160 2.69737160 1 C C3 1 0.00000000 0.00000000 0.00000000 1 Pd Pd4 1 2.69737160 2.69737160 2.69737160 1 [/CIF]
CCa3Pd
Pm-3m
221
cubic
m-3m
2,524.206932
false
[CIF] data_LaZr2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48447578 _cell_length_b 4.48447578 _cell_length_c 4.35448538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.14448000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZr2Fe _chemical_formula_sum 'La1 Zr2 Fe1' _cell_volume 85.91964452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.84811223 0.00000000 0.00000000 1 Zr Zr2 1 1.42405611 -1.73196274 2.17724269 1 Zr Zr3 1 1.42405611 1.73196274 2.17724269 1 [/CIF]
FeLaZr2
Cmmm
65
orthorhombic
mmm
7,289.983552
false
[CIF] data_BaBP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26837438 _cell_length_b 5.26837438 _cell_length_c 6.47795643 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBP _chemical_formula_sum 'Ba2 B2 P2' _cell_volume 155.71193894 _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 0.00000000 0.00000000 0.00000000 1 B B1 1 0.00000000 0.00000000 3.23897821 1 Ba Ba2 1 2.63418719 1.52084868 1.61948911 1 Ba Ba3 1 0.00000000 3.04169737 4.85846732 1 P P4 1 2.63418719 1.52084868 4.85846732 1 P P5 1 0.00000000 3.04169737 1.61948911 1 [/CIF]
B2Ba2P2
P6_3/mmc
194
hexagonal
6/mmm
3,820.157659
false
[CIF] data_Tl2IrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.57578540 _cell_length_b 9.57578540 _cell_length_c 9.57578540 _cell_angle_alpha 19.26818113 _cell_angle_beta 19.26818113 _cell_angle_gamma 19.26818113 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2IrAu _chemical_formula_sum 'Tl2 Ir1 Au1' _cell_volume 83.58508620 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 14.09292945 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 0.00000000 -0.00000000 20.98733035 1 Tl Tl3 1 0.00000000 0.00000000 7.19852856 1 [/CIF]
AuIrTl2
R-3m
166
trigonal
-3m
15,852.438384
false
[CIF] data_NaLiCrCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63965794 _cell_length_b 4.63965794 _cell_length_c 4.63965794 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiCrCu _chemical_formula_sum 'Na1 Li1 Cr1 Cu1' _cell_volume 70.62246812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28073359 3.28073359 3.28073359 1 Cu Cu1 1 1.64036679 1.64036679 1.64036680 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 4.92110038 4.92110038 4.92110039 1 [/CIF]
CrCuLiNa
F-43m
216
cubic
-43m
3,420.489102
false
[CIF] data_AsW5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20331694 _cell_length_b 5.20331694 _cell_length_c 4.69999396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsW5 _chemical_formula_sum 'As1 W5' _cell_volume 110.20175006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 2.60165847 1.50206822 0.00000000 1 W W2 1 0.00000000 3.00413643 0.00000000 1 W W3 1 -1.30082923 2.25310233 2.34999698 1 W W4 1 1.30082923 2.25310233 2.34999698 1 W W5 1 2.60165847 0.00000000 2.34999698 1 [/CIF]
AsW5
P6/mmm
191
hexagonal
6/mmm
14,979.596542
false
[CIF] data_Fe2PW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45150821 _cell_length_b 4.45150821 _cell_length_c 4.45150821 _cell_angle_alpha 131.91124089 _cell_angle_beta 131.91124089 _cell_angle_gamma 70.36924842 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2PW _chemical_formula_sum 'Fe2 P1 W1' _cell_volume 47.87391161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 1.81374087 1.81910785 1 Fe Fe1 1 1.81374087 0.00000000 1.81910785 1 P P2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.63821570 1 [/CIF]
Fe2PW
I4/mmm
139
tetragonal
4/mmm
11,325.004246
false
[CIF] data_Zr2BiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30649773 _cell_length_b 5.30649773 _cell_length_c 5.30649773 _cell_angle_alpha 134.93852698 _cell_angle_beta 126.04121160 _cell_angle_gamma 72.85956827 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BiIr _chemical_formula_sum 'Zr2 Bi1 Ir1' _cell_volume 83.59836233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.26952960 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 2.03333847 -0.00000000 1.98787795 1 Zr Zr3 1 0.00000000 2.40739898 2.28165164 1 [/CIF]
BiIrZr2
Immm
71
orthorhombic
mmm
11,593.12309
false
[CIF] data_MgAsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22581307 _cell_length_b 4.22581307 _cell_length_c 4.22581307 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAsRu _chemical_formula_sum 'Mg1 As1 Ru1' _cell_volume 53.36000347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.98810108 2.98810108 2.98810108 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.49405054 1.49405054 1.49405054 1 [/CIF]
AsMgRu
F-43m
216
cubic
-43m
6,233.139198
false
[CIF] data_AlTlCoRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49051380 _cell_length_b 4.49051380 _cell_length_c 4.49051380 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlCoRe _chemical_formula_sum 'Al1 Tl1 Co1 Re1' _cell_volume 64.02846771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 4.76290914 4.76290914 4.76290914 1 Re Re2 1 3.17527276 3.17527276 3.17527276 1 Tl Tl3 1 1.58763638 1.58763638 1.58763638 1 [/CIF]
AlCoReTl
F-43m
216
cubic
-43m
12,357.865992
false
[CIF] data_BeOs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80505940 _cell_length_b 3.96436237 _cell_length_c 5.22873421 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.07384891 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeOs2Au _chemical_formula_sum 'Be1 Os2 Au1' _cell_volume 56.39961567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.63574170 0.00000000 2.53589192 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.74269382 1.98218118 1.06932030 1 Os Os3 1 0.79088218 1.98218118 4.00246355 1 [/CIF]
AuBeOs2
P2/m
10
monoclinic
2/m
17,266.154117
false