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_Tb2IrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87351994 _cell_length_b 4.87351994 _cell_length_c 4.87351994 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2IrRh _chemical_formula_sum 'Tb2 Ir1 Rh1' _cell_volume 81.84897497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 5.16914850 5.16914850 5.16914850 1 Tb Tb1 1 1.72304950 1.72304950 1.72304950 1 Ir Ir2 1 3.44609900 3.44609900 3.44609900 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRhTb2
Fm-3m
225
cubic
m-3m
12,435.90339
false
[CIF] data_Fe2BiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96239911 _cell_length_b 5.96239911 _cell_length_c 5.96239911 _cell_angle_alpha 141.50904460 _cell_angle_beta 141.50904460 _cell_angle_gamma 55.56903598 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2BiTe _chemical_formula_sum 'Fe2 Bi1 Te1' _cell_volume 81.49659731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96530291 2.63748802 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 1.96530291 0.00000000 2.63748802 1 Te Te3 1 -0.00000000 0.00000000 5.27497603 1 [/CIF]
BiFe2Te
I-4m2
119
tetragonal
-42m
9,133.761852
false
[CIF] data_LaYMn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08483914 _cell_length_b 5.08483914 _cell_length_c 5.08483914 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYMn3 _chemical_formula_sum 'La1 Y1 Mn3' _cell_volume 131.47151134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 0.00000000 2.54241957 0.00000000 1 Mn Mn2 1 0.00000000 0.00000000 2.54241957 1 Mn Mn3 1 2.54241957 0.00000000 0.00000000 1 La La4 1 2.54241957 2.54241957 2.54241957 1 [/CIF]
LaMn3Y
Pm-3m
221
cubic
m-3m
4,959.020399
false
[CIF] data_NbGaAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90302993 _cell_length_b 4.90302993 _cell_length_c 5.26275030 _cell_angle_alpha 104.13048903 _cell_angle_beta 104.13048903 _cell_angle_gamma 35.27390744 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaAu2 _chemical_formula_sum 'Nb1 Ga1 Au2' _cell_volume 70.62264981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.99314295 -0.00000000 5.02500968 1 Au Au1 1 6.77905889 0.00000000 1.35784235 1 Ga Ga2 1 4.00814989 -0.00000000 2.48722779 1 Nb Nb3 1 1.21204678 -0.00000000 3.84776577 1 [/CIF]
Au2GaNb
Cm
8
monoclinic
m
13,086.365445
false
[CIF] data_V2IrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53752543 _cell_length_b 4.53752543 _cell_length_c 4.53752543 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2IrPb _chemical_formula_sum 'V2 Ir1 Pb1' _cell_volume 66.06055494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.20851500 3.20851500 3.20851500 1 V V2 1 4.81277250 4.81277250 4.81277250 1 V V3 1 1.60425750 1.60425750 1.60425750 1 [/CIF]
IrPbV2
Fm-3m
225
cubic
m-3m
12,600.987608
false
[CIF] data_ZrNb2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84482333 _cell_length_b 4.92329464 _cell_length_c 5.32658123 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.49729838 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNb2Pd _chemical_formula_sum 'Zr1 Nb2 Pd1' _cell_volume 73.35497966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.87031178 2.46164732 1.28079499 1 Nb Nb1 1 0.00406618 2.46164732 3.95663791 1 Pd Pd2 1 0.93718898 0.00000000 2.61871645 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2PdZr
P2/m
10
monoclinic
2/m
8,680.323181
false
[CIF] data_MnSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27876189 _cell_length_b 4.27876189 _cell_length_c 4.27876189 _cell_angle_alpha 140.28340561 _cell_angle_beta 135.37224030 _cell_angle_gamma 61.25578217 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSi2 _chemical_formula_sum 'Mn1 Si2' _cell_volume 34.77519258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 0.00000000 0.00000000 2.48482373 1 Si Si2 1 -0.00000000 0.00000000 4.87887523 1 [/CIF]
MnSi2
Immm
71
orthorhombic
mmm
5,305.532369
false
[CIF] data_VHgBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82444187 _cell_length_b 4.82444187 _cell_length_c 4.82444187 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VHgBiIr _chemical_formula_sum 'V1 Hg1 Bi1 Ir1' _cell_volume 79.40104812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41139556 3.41139556 3.41139556 1 Hg Hg1 1 1.70569778 1.70569778 1.70569778 1 Ir Ir2 1 5.11709334 5.11709334 5.11709334 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiHgIrV
F-43m
216
cubic
-43m
13,650.724569
false
[CIF] data_Be4NbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57230353 _cell_length_b 4.57230353 _cell_length_c 4.57230353 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be4NbAs _chemical_formula_sum 'Be4 Nb1 As1' _cell_volume 67.59120060 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 4.01953849 4.01953849 2.44667517 1 Be Be2 1 4.01953849 2.44667517 4.01953849 1 Be Be3 1 2.44667517 4.01953849 4.01953849 1 Be Be4 1 2.44667517 2.44667517 2.44667517 1 Nb Nb5 1 4.84966024 4.84966024 4.84966024 1 [/CIF]
AsBe4Nb
F-43m
216
cubic
-43m
5,008.717635
false
[CIF] data_Al3InRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99458185 _cell_length_b 4.99458185 _cell_length_c 4.99458185 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3InRh _chemical_formula_sum 'Al3 In1 Rh1' _cell_volume 124.59407894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 0.00000000 0.00000000 0.00000000 1 Al Al1 1 2.49729093 0.00000000 2.49729093 1 Al Al2 1 2.49729093 2.49729093 0.00000000 1 Al Al3 1 0.00000000 2.49729093 2.49729093 1 In In4 1 2.49729093 2.49729093 2.49729093 1 [/CIF]
Al3InRh
Pm-3m
221
cubic
m-3m
3,980.526831
false
[CIF] data_CrTcBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15206074 _cell_length_b 3.15206074 _cell_length_c 6.32527955 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTcBr2 _chemical_formula_sum 'Cr1 Tc1 Br2' _cell_volume 62.84473216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57603037 1.57603037 4.80048527 1 Br Br1 1 1.57603037 1.57603037 1.52479428 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 3.16263978 1 [/CIF]
Br2CrTc
P4/mmm
123
tetragonal
4/mmm
8,209.862208
false
[CIF] data_TaInPdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93363772 _cell_length_b 4.93363772 _cell_length_c 4.93363772 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaInPdPb _chemical_formula_sum 'Ta1 In1 Pd1 Pb1' _cell_volume 84.91546076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.48860869 3.48860869 3.48860869 1 Pb Pb1 1 1.74430435 1.74430435 1.74430435 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 5.23291304 5.23291304 5.23291304 1 [/CIF]
InPbPdTa
F-43m
216
cubic
-43m
11,916.664543
false
[CIF] data_TcOs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72199116 _cell_length_b 4.72199116 _cell_length_c 4.71965142 _cell_angle_alpha 99.62982334 _cell_angle_beta 99.62982334 _cell_angle_gamma 33.53871397 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcOs2Ru _chemical_formula_sum 'Tc1 Os2 Ru1' _cell_volume 57.24812572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.57556411 -0.00000000 1.16133740 1 Os Os1 1 1.64222430 0.00000000 3.48572400 1 Ru Ru2 1 4.10889420 -0.00000000 2.32353070 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2RuTc
C2/m
12
monoclinic
2/m
16,836.131729
false
[CIF] data_MnCr4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64079878 _cell_length_b 4.64079878 _cell_length_c 4.64079878 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCr4P _chemical_formula_sum 'Mn1 Cr4 P1' _cell_volume 70.67457703 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.11275681 4.11275681 2.45032377 1 Cr Cr1 1 4.11275681 2.45032377 4.11275681 1 Cr Cr2 1 2.45032377 4.11275681 4.11275681 1 Cr Cr3 1 2.45032377 2.45032377 2.45032377 1 Mn Mn4 1 4.92231044 4.92231044 4.92231044 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr4MnP
F-43m
216
cubic
-43m
6,905.257219
false
[CIF] data_AgPtCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69200551 _cell_length_b 3.69200551 _cell_length_c 8.12959196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 125.88513417 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPtCl2 _chemical_formula_sum 'Ag1 Pt1 Cl2' _cell_volume 89.78056198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.67943206 0.00000000 2.37079347 1 Cl Cl2 1 1.67943206 0.00000000 5.75879849 1 Pt Pt3 1 0.00000000 0.00000000 4.06479598 1 [/CIF]
AgCl2Pt
Cmmm
65
orthorhombic
mmm
6,914.705508
false
[CIF] data_TlTcPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61669892 _cell_length_b 4.61669892 _cell_length_c 4.61669892 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTcPd2 _chemical_formula_sum 'Tl1 Tc1 Pd2' _cell_volume 69.57923656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 4.89674867 4.89674867 4.89674867 1 Pd Pd1 1 1.63224956 1.63224955 1.63224955 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.26449911 3.26449911 3.26449911 1 [/CIF]
Pd2TcTl
Fm-3m
225
cubic
m-3m
12,317.6574
false
[CIF] data_NbCrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20327957 _cell_length_b 4.20327957 _cell_length_c 4.20327957 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrSi _chemical_formula_sum 'Nb1 Cr1 Si1' _cell_volume 52.51094501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97216749 2.97216749 2.97216749 1 Nb Nb1 1 1.48608374 1.48608374 1.48608375 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrNbSi
F-43m
216
cubic
-43m
5,470.350967
false
[CIF] data_NiSn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58614273 _cell_length_b 3.76686423 _cell_length_c 5.44889105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSn2Pd _chemical_formula_sum 'Ni1 Sn2 Pd1' _cell_volume 73.60641435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.49395351 1 Pd Pd1 1 1.79307137 1.88343212 4.27624534 1 Sn Sn2 1 0.00000000 0.00000000 5.19683979 1 Sn Sn3 1 1.79307137 1.88343212 1.65518904 1 [/CIF]
NiPdSn2
Pmm2
25
orthorhombic
mm2
9,081.035155
false
[CIF] data_VBIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14753593 _cell_length_b 4.14753593 _cell_length_c 4.14753593 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBIrRh _chemical_formula_sum 'V1 B1 Ir1 Rh1' _cell_volume 50.44933830 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 1.46637539 1.46637539 1.46637539 1 Rh Rh1 1 4.39912618 4.39912618 4.39912618 1 Ir Ir2 1 2.93275078 2.93275078 2.93275078 1 B B3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BIrRhV
F-43m
216
cubic
-43m
11,746.534233
false
[CIF] data_Co2BiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20356163 _cell_length_b 5.20356163 _cell_length_c 5.20356163 _cell_angle_alpha 138.73392805 _cell_angle_beta 138.73392805 _cell_angle_gamma 59.78079257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2BiP _chemical_formula_sum 'Co2 Bi1 P1' _cell_volume 60.67322139 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83363786 0.00000000 2.25569269 1 Co Co1 1 -0.00000000 0.00000000 4.51138538 1 Co Co2 1 -0.00000000 1.83363786 2.25569269 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCo2P
I-4m2
119
tetragonal
-42m
9,793.035408
false
[CIF] data_Al2OsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04303797 _cell_length_b 3.04303797 _cell_length_c 7.38368104 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2OsCl _chemical_formula_sum 'Al2 Os1 Cl1' _cell_volume 68.37347777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52151899 1.52151899 5.11192344 1 Al Al1 1 1.52151899 1.52151899 2.27175760 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 3.69184052 1 [/CIF]
Al2ClOs
P4/mmm
123
tetragonal
4/mmm
6,791.569643
false
[CIF] data_KNb4Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69412015 _cell_length_b 5.69412015 _cell_length_c 5.69412015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNb4Tl _chemical_formula_sum 'K1 Nb4 Tl1' _cell_volume 130.54639468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 5.07457523 5.07457523 2.97812671 1 Nb Nb2 1 5.07457523 2.97812671 5.07457523 1 Nb Nb3 1 2.97812671 5.07457523 5.07457523 1 Nb Nb4 1 2.97812671 2.97812671 2.97812671 1 Tl Tl5 1 6.03952646 6.03952646 6.03952646 1 [/CIF]
KNb4Tl
F-43m
216
cubic
-43m
7,824.110389
false
[CIF] data_LaFe2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79593835 _cell_length_b 4.79593835 _cell_length_c 4.79593835 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFe2Hg _chemical_formula_sum 'La1 Fe2 Hg1' _cell_volume 78.00200699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69562026 1.69562026 1.69562026 1 Fe Fe1 1 5.08686079 5.08686079 5.08686079 1 Hg Hg2 1 3.39124053 3.39124053 3.39124053 1 La La3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2HgLa
Fm-3m
225
cubic
m-3m
9,605.687447
false
[CIF] data_In2IrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07715402 _cell_length_b 5.07715402 _cell_length_c 5.07715402 _cell_angle_alpha 130.44577739 _cell_angle_beta 130.44577739 _cell_angle_gamma 72.69511502 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2IrAu _chemical_formula_sum 'In2 Ir1 Au1' _cell_volume 74.05693645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08932574 1 In In1 1 0.00000000 2.12778147 2.04466287 1 In In2 1 2.12778147 0.00000000 2.04466287 1 Ir Ir3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuIn2Ir
I4/mmm
139
tetragonal
4/mmm
13,875.460135
false
[CIF] data_TiCrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05705322 _cell_length_b 4.05705322 _cell_length_c 4.05705322 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrNi _chemical_formula_sum 'Ti1 Cr1 Ni1' _cell_volume 47.21903583 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.86876984 2.86876984 2.86876984 1 Ni Ni1 1 1.43438492 1.43438492 1.43438492 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrNiTi
F-43m
216
cubic
-43m
5,575.913568
false
[CIF] data_CrTeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07597868 _cell_length_b 4.07597868 _cell_length_c 4.07597868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTeO3 _chemical_formula_sum 'Cr1 Te1 O3' _cell_volume 67.71668821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 2.03798934 0.00000000 2.03798934 1 O O2 1 0.00000000 2.03798934 2.03798934 1 O O3 1 2.03798934 2.03798934 0.00000000 1 Te Te4 1 2.03798934 2.03798934 2.03798934 1 [/CIF]
CrO3Te
Pm-3m
221
cubic
m-3m
5,581.035288
false
[CIF] data_ZrInOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73944694 _cell_length_b 4.73944694 _cell_length_c 4.73944694 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInOsAu _chemical_formula_sum 'Zr1 In1 Os1 Au1' _cell_volume 75.27798725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35129507 3.35129507 3.35129507 1 In In1 1 1.67564754 1.67564754 1.67564754 1 Os Os2 1 5.02694261 5.02694261 5.02694261 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuInOsZr
F-43m
216
cubic
-43m
13,086.107315
false
[CIF] data_LaGa2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34748051 _cell_length_b 3.34748051 _cell_length_c 7.16107794 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGa2Pd _chemical_formula_sum 'La1 Ga2 Pd1' _cell_volume 80.24435947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67374026 1.67374026 1.37949960 1 Ga Ga1 1 1.67374026 1.67374026 5.78157834 1 La La2 1 0.00000000 0.00000000 3.58053897 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2LaPd
P4/mmm
123
tetragonal
4/mmm
7,962.279989
false
[CIF] data_CdTc2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75457800 _cell_length_b 2.75457800 _cell_length_c 8.41731311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTc2Pt _chemical_formula_sum 'Cd1 Tc2 Pt1' _cell_volume 63.86804633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 4.20865656 1 Tc Tc2 1 1.37728900 1.37728900 6.18045659 1 Tc Tc3 1 1.37728900 1.37728900 2.23685652 1 [/CIF]
CdPtTc2
P4/mmm
123
tetragonal
4/mmm
13,137.753956
false
[CIF] data_BaNbCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68761579 _cell_length_b 4.68761579 _cell_length_c 4.68761579 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbCo2 _chemical_formula_sum 'Ba1 Nb1 Co2' _cell_volume 72.83515164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31464492 3.31464492 3.31464492 1 Co Co1 1 1.65732246 1.65732246 1.65732246 1 Co Co2 1 4.97196737 4.97196737 4.97196737 1 Nb Nb3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCo2Nb
Fm-3m
225
cubic
m-3m
7,936.193653
false
[CIF] data_NaHfZnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64097170 _cell_length_b 4.64097170 _cell_length_c 4.64097170 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfZnRh _chemical_formula_sum 'Na1 Hf1 Zn1 Rh1' _cell_volume 70.68247732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28166256 3.28166256 3.28166256 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.64083128 1.64083128 1.64083128 1 Zn Zn3 1 4.92249384 4.92249384 4.92249384 1 [/CIF]
HfNaRhZn
F-43m
216
cubic
-43m
8,686.872594
false
[CIF] data_LaNbBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01701910 _cell_length_b 5.01701910 _cell_length_c 5.01701910 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbBiIr _chemical_formula_sum 'La1 Nb1 Bi1 Ir1' _cell_volume 89.29399764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.32135235 5.32135235 5.32135235 1 Ir Ir1 1 3.54756823 3.54756823 3.54756823 1 La La2 1 1.77378411 1.77378411 1.77378411 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIrLaNb
F-43m
216
cubic
-43m
11,771.637702
false
[CIF] data_ZnAg2C4(SN)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.59613103 _cell_length_b 10.59613103 _cell_length_c 7.75345493 _cell_angle_alpha 96.12251734 _cell_angle_beta 96.12251734 _cell_angle_gamma 42.65719346 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAg2C4(SN)4 _chemical_formula_sum 'Zn2 Ag4 C8 S8 N8' _cell_volume 586.00923782 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 15.48269319 0.73812004 1.78974068 1 Ag Ag1 1 15.03882052 -0.73812004 5.64097332 1 Ag Ag2 1 3.81423414 0.73812004 2.06149197 1 Ag Ag3 1 3.37036147 -0.73812004 5.91272462 1 C C4 1 18.09756666 -0.44169002 0.25615550 1 C C5 1 17.65369399 0.44169002 4.10738814 1 C C6 1 7.05848764 -0.28997437 2.63378576 1 C C7 1 6.61461498 0.28997437 6.48501840 1 C C8 1 12.23843969 -0.28997437 1.21744689 1 C C9 1 11.79456702 0.28997437 5.06867953 1 C C10 1 1.19936067 -0.44169002 3.59507715 1 C C11 1 0.75548800 0.44169002 7.44630979 1 N N12 1 8.91094269 2.51822573 0.60792370 1 N N13 1 8.46707002 -2.51822573 4.45915634 1 N N14 1 8.13147397 0.14052564 2.41849723 1 N N15 1 7.68760130 -0.14052564 6.26972988 1 N N16 1 11.16545336 0.14052564 1.43273541 1 N N17 1 10.72158069 -0.14052564 5.28396806 1 N N18 1 10.38598464 2.51822573 3.24330895 1 N N19 1 9.94211197 -2.51822573 7.09454159 1 S S20 1 16.70291441 -0.78694999 3.60172977 1 S S21 1 16.25904174 0.78694999 7.45296241 1 S S22 1 5.56576406 -0.86663440 3.00071156 1 S S23 1 5.12189139 0.86663440 6.85194421 1 S S24 1 13.73116328 -0.86663440 0.85052108 1 S S25 1 13.28729061 0.86663440 4.70175373 1 S S26 1 2.59401292 -0.78694999 0.24950288 1 S S27 1 2.15014025 0.78694999 4.10073552 1 Zn Zn28 1 9.20459100 -1.27025471 5.77684897 1 Zn Zn29 1 9.64846367 1.27025471 1.92561632 1 [/CIF]
C8Ag4N8S8Zn2
C2/c
15
monoclinic
2/m
2,909.841984
false
[CIF] data_CdGaIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90593596 _cell_length_b 4.12419944 _cell_length_c 5.52463271 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.90138869 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaIr2 _chemical_formula_sum 'Cd1 Ga1 Ir2' _cell_volume 63.98416093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.71034682 0.00000000 2.66941923 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 0.74874346 2.06209972 1.22235403 1 Ir Ir3 1 0.73649886 2.06209972 4.11648444 1 [/CIF]
CdGaIr2
P2/m
10
monoclinic
2/m
14,703.768625
false
[CIF] data_Mg2NiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96849477 _cell_length_b 2.96849477 _cell_length_c 7.50151997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2NiGe _chemical_formula_sum 'Mg2 Ni1 Ge1' _cell_volume 66.10310285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 3.75075999 1 Mg Mg1 1 1.48424738 1.48424738 5.86628921 1 Mg Mg2 1 1.48424738 1.48424738 1.63523076 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeMg2Ni
P4/mmm
123
tetragonal
4/mmm
4,520.62486
false
[CIF] data_LiHgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.07125572 _cell_length_b 10.07125572 _cell_length_c 10.07125572 _cell_angle_alpha 20.11714874 _cell_angle_beta 20.11714874 _cell_angle_gamma 20.11714874 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHgPb2 _chemical_formula_sum 'Li1 Hg1 Pb2' _cell_volume 105.72710980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.79647773 1 Li Li1 1 -0.00000000 -0.00000000 -0.00000000 1 Pb Pb2 1 -0.00000000 -0.00000000 7.53036224 1 Pb Pb3 1 0.00000000 0.00000000 22.06259322 1 [/CIF]
HgLiPb2
R-3m
166
trigonal
-3m
9,767.984053
false
[CIF] data_LaIr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51334131 _cell_length_b 3.57006490 _cell_length_c 7.68273151 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.14486756 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaIr2Cl _chemical_formula_sum 'La1 Ir2 Cl1' _cell_volume 95.61512176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.36652073 0.00000000 5.27976217 1 Ir Ir1 1 3.18818094 1.78503245 0.95509775 1 Ir Ir2 1 1.42639807 0.00000000 1.55260724 1 La La3 1 -0.38776730 1.78503245 3.64714368 1 [/CIF]
ClIr2La
Pm
6
monoclinic
m
9,704.497673
false
[CIF] data_Na2LaGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41785487 _cell_length_b 5.41785487 _cell_length_c 6.77705401 _cell_angle_alpha 98.94534753 _cell_angle_beta 98.94534753 _cell_angle_gamma 38.38508935 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LaGa _chemical_formula_sum 'Na2 La1 Ga1' _cell_volume 121.83734630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 4.59097735 -0.00000000 3.24851498 1 La La1 1 7.53343496 -0.00000000 2.03817027 1 Na Na2 1 9.09725991 -0.00000000 6.44347687 1 Na Na3 1 1.57246627 -0.00000000 4.98125968 1 [/CIF]
GaLaNa2
Cm
8
monoclinic
m
3,470.0899
false
[CIF] data_LaIn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41273180 _cell_length_b 5.49606821 _cell_length_c 6.22731178 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.03632887 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaIn2Pb _chemical_formula_sum 'La1 In2 Pb1' _cell_volume 116.72947680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.25021111 2.74803410 4.70258274 1 In In1 1 1.94124461 2.74803410 1.52079647 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 1.59572786 0.00000000 3.11168961 1 [/CIF]
In2LaPb
P2/m
10
monoclinic
2/m
8,190.22949
false
[CIF] data_K2AlAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91297465 _cell_length_b 5.91297465 _cell_length_c 5.91297465 _cell_angle_alpha 129.06507634 _cell_angle_beta 129.06507634 _cell_angle_gamma 74.90588571 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AlAs _chemical_formula_sum 'K2 Al1 As1' _cell_volume 121.38134413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69403296 1 K K2 1 -0.00000000 2.54256994 2.34701648 1 K K3 1 2.54256994 0.00000000 2.34701648 1 [/CIF]
AlAsK2
I4/mmm
139
tetragonal
4/mmm
2,463.827155
false
[CIF] data_BaNaZr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53830777 _cell_length_b 5.53830777 _cell_length_c 5.53830777 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaZr2 _chemical_formula_sum 'Ba1 Na1 Zr2' _cell_volume 120.12025928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.95808749 1.95808749 1.95808749 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.87426247 5.87426247 5.87426247 1 Zr Zr3 1 3.91617498 3.91617498 3.91617498 1 [/CIF]
BaNaZr2
F-43m
216
cubic
-43m
4,738.370475
false
[CIF] data_Ba2NbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55837457 _cell_length_b 3.55837457 _cell_length_c 10.25469867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NbMo _chemical_formula_sum 'Ba2 Nb1 Mo1' _cell_volume 129.84529816 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.77918729 1.77918729 9.55478011 1 Ba Ba1 1 0.00000000 0.00000000 3.33611446 1 Mo Mo2 1 1.77918729 1.77918729 5.87050304 1 Nb Nb3 1 0.00000000 0.00000000 6.87534907 1 [/CIF]
Ba2MoNb
P4mm
99
tetragonal
4mm
5,927.813215
false
[CIF] data_CaBe2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81812417 _cell_length_b 5.81812417 _cell_length_c 5.81812417 _cell_angle_alpha 41.14845010 _cell_angle_beta 41.14845010 _cell_angle_gamma 41.14845010 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBe2Cd _chemical_formula_sum 'Ca1 Be2 Cd1' _cell_volume 77.00607241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.60629535 1 Be Be1 1 0.00000000 0.00000000 4.91175853 1 Ca Ca2 1 -0.00000000 -0.00000000 8.07628556 1 Cd Cd3 1 0.00000000 0.00000000 11.14761375 1 [/CIF]
Be2CaCd
R3m
160
trigonal
3m
3,682.478991
false
[CIF] data_TlCdP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83549625 _cell_length_b 4.83549625 _cell_length_c 4.83549625 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCdP _chemical_formula_sum 'Tl1 Cd1 P1' _cell_volume 79.94810149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.41921219 3.41921219 3.41921219 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.12881829 5.12881829 5.12881829 1 [/CIF]
CdPTl
F-43m
216
cubic
-43m
7,223.216591
false
[CIF] data_InP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57113473 _cell_length_b 7.57113473 _cell_length_c 7.57113473 _cell_angle_alpha 146.88735331 _cell_angle_beta 146.88735331 _cell_angle_gamma 47.53060301 _symmetry_Int_Tables_number 1 _chemical_formula_structural InP2 _chemical_formula_sum 'In2 P4' _cell_volume 129.00951084 _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 In In0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 -0.00000000 2.15745355 3.46456597 1 P P2 1 0.00000000 -0.00000000 8.06431070 1 P P3 1 2.15745355 -0.00000000 2.32938721 1 P P4 1 -0.00000000 0.00000000 5.79395318 1 P P5 1 2.15745354 0.00000000 4.59974473 1 [/CIF]
In2P4
I4_1/amd
141
tetragonal
4/mmm
4,550.863719
false
[CIF] data_LiYCrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60123530 _cell_length_b 4.60123530 _cell_length_c 4.60123530 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYCrW _chemical_formula_sum 'Li1 Y1 Cr1 W1' _cell_volume 68.88240947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.62678234 1.62678234 1.62678234 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.88034702 4.88034702 4.88034702 1 Y Y3 1 3.25356468 3.25356468 3.25356468 1 [/CIF]
CrLiWY
F-43m
216
cubic
-43m
7,995.836679
false
[CIF] data_Hf2ScP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19587214 _cell_length_b 3.19587214 _cell_length_c 8.41955361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.85683083 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ScP _chemical_formula_sum 'Hf2 Sc1 P1' _cell_volume 82.72165329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92651122 0.00000000 6.71986464 1 Hf Hf1 1 1.92651122 0.00000000 1.69968897 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 4.20977680 1 [/CIF]
Hf2PSc
Cmmm
65
orthorhombic
mmm
8,690.148195
false
[CIF] data_NaLiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74411989 _cell_length_b 5.74411989 _cell_length_c 5.74411989 _cell_angle_alpha 152.98373278 _cell_angle_beta 134.56627298 _cell_angle_gamma 53.65745969 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiRu2 _chemical_formula_sum 'Na1 Li1 Ru2' _cell_volume 61.02381926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 -0.00000000 0.00000000 5.12582066 1 Ru Ru2 1 1.34173104 0.00000000 2.29310189 1 Ru Ru3 1 -0.00000000 2.21825015 2.83271877 1 [/CIF]
LiNaRu2
Immm
71
orthorhombic
mmm
6,314.95346
false
[CIF] data_FeNiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15395265 _cell_length_b 4.15395265 _cell_length_c 4.15395265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNiTe _chemical_formula_sum 'Fe1 Ni1 Te1' _cell_volume 50.68385370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 2.93728809 2.93728809 2.93728809 1 Te Te2 1 4.40593213 4.40593213 4.40593214 1 [/CIF]
FeNiTe
F-43m
216
cubic
-43m
7,933.103807
false
[CIF] data_CuGe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82521973 _cell_length_b 4.82521973 _cell_length_c 4.82521973 _cell_angle_alpha 136.63998527 _cell_angle_beta 127.89255430 _cell_angle_gamma 70.04776481 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuGe2Mo _chemical_formula_sum 'Cu1 Ge2 Mo1' _cell_volume 59.71016005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 -0.00000000 2.11930261 2.03657336 1 Ge Ge2 1 1.78254486 -0.00000000 1.91486128 1 Mo Mo3 1 0.00000000 0.00000000 3.95143464 1 [/CIF]
CuGe2Mo
Immm
71
orthorhombic
mmm
8,476.096188
false
[CIF] data_SrSm2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66110376 _cell_length_b 5.66110376 _cell_length_c 5.66110376 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSm2Ti _chemical_formula_sum 'Sr1 Sm2 Ti1' _cell_volume 128.28868283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 2.00150243 2.00150243 2.00150243 1 Sm Sm1 1 6.00450728 6.00450728 6.00450728 1 Sr Sr2 1 4.00300486 4.00300485 4.00300486 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sm2SrTi
Fm-3m
225
cubic
m-3m
5,646.162613
false
[CIF] data_Hf2NiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52806925 _cell_length_b 6.52806925 _cell_length_c 6.52806925 _cell_angle_alpha 33.41053275 _cell_angle_beta 33.41053275 _cell_angle_gamma 33.41053275 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2NiAs _chemical_formula_sum 'Hf2 Ni1 As1' _cell_volume 75.11366269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.48149335 1 Hf Hf1 1 0.00000000 -0.00000000 0.40958062 1 Hf Hf2 1 0.00000000 0.00000000 4.16275747 1 Ni Ni3 1 0.00000000 -0.00000000 8.65709576 1 [/CIF]
AsHf2Ni
R3m
160
trigonal
3m
10,845.592324
false
[CIF] data_DyH5C6N2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.67993072 _cell_length_b 9.67993072 _cell_length_c 9.67993072 _cell_angle_alpha 79.37183590 _cell_angle_beta 79.37183590 _cell_angle_gamma 79.37183590 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyH5C6N2O7 _chemical_formula_sum 'Dy3 H15 C18 N6 O21' _cell_volume 865.47900796 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 3.03463379 -5.25613991 9.80807603 1 Dy Dy1 1 3.03463379 5.25613991 9.80807603 1 Dy Dy2 1 -6.06926759 0.00000000 9.80807603 1 H H3 1 -1.09116257 3.56883154 6.53871736 1 H H4 1 -2.54511749 -2.72939027 6.53871736 1 H H5 1 3.63628006 -0.83944126 6.53871736 1 H H6 1 -0.55184513 5.24296664 11.07994636 1 H H7 1 -4.26461974 -3.09939522 11.07994636 1 H H8 1 4.81646487 -2.14357142 11.07994636 1 H H9 1 4.81646487 2.14357142 8.53620571 1 H H10 1 -0.55184513 -5.24296664 8.53620571 1 H H11 1 -4.26461974 3.09939522 8.53620571 1 H H12 1 4.59436717 2.37094260 5.58015145 1 H H13 1 -4.35048011 2.79336739 5.58015145 1 H H14 1 -0.24388707 -5.16430999 5.58015145 1 H H15 1 -0.24388707 5.16430999 14.03600062 1 H H16 1 4.59436717 -2.37094260 14.03600062 1 H H17 1 -4.35048011 -2.79336739 14.03600062 1 C C18 1 0.02280549 4.75652012 8.74419281 1 C C19 1 -4.13067000 -2.35850992 8.74419281 1 C C20 1 4.10786451 -2.39801019 8.74419281 1 C C21 1 4.10786451 2.39801019 10.87195926 1 C C22 1 0.02280549 -4.75652012 10.87195926 1 C C23 1 -4.13067000 2.35850992 10.87195926 1 C C24 1 0.73779631 -2.99649653 14.10498282 1 C C25 1 2.22614396 2.13719861 14.10498282 1 C C26 1 -2.96394027 0.85929792 14.10498282 1 C C27 1 -2.96394027 -0.85929792 5.51116925 1 C C28 1 0.73779631 2.99649653 5.51116925 1 C C29 1 2.22614396 -2.13719861 5.51116925 1 C C30 1 -0.00413736 3.56883154 6.53871736 1 C C31 1 -3.08863009 -1.78799882 6.53871736 1 C C32 1 3.09276745 -1.78083271 6.53871736 1 C C33 1 2.75116721 3.56883154 6.53871736 1 C C34 1 -4.46628238 0.59816492 6.53871736 1 C C35 1 1.71511517 -4.16699646 6.53871736 1 N N36 1 2.07592876 4.14187078 7.60052368 1 N N37 1 -4.62492970 -0.27312835 7.60052368 1 N N38 1 2.54900094 -3.86874243 7.60052368 1 N N39 1 2.54900094 3.86874243 12.01562839 1 N N40 1 2.07592876 -4.14187078 12.01562839 1 N N41 1 -4.62492970 0.27312835 12.01562839 1 O O42 1 -1.20750362 -2.14905619 15.15103431 1 O O43 1 2.46488907 0.02879929 15.15103431 1 O O44 1 -1.25738545 2.12025690 15.15103431 1 O O45 1 -1.25738545 -2.12025690 4.46511776 1 O O46 1 -1.20750362 2.14905619 4.46511776 1 O O47 1 2.46488907 -0.02879929 4.46511776 1 O O48 1 0.71450421 4.97158697 9.79710638 1 O O49 1 -4.66277271 -1.86701469 9.79710638 1 O O50 1 3.94826851 -3.10457228 9.79710638 1 O O51 1 3.94826851 3.10457228 9.81904569 1 O O52 1 0.71450421 -4.97158697 9.81904569 1 O O53 1 -4.66277271 1.86701469 9.81904569 1 O O54 1 4.02544008 3.56883154 6.53871736 1 O O55 1 -5.10341881 1.70171760 6.53871736 1 O O56 1 1.07797873 -5.27054914 6.53871736 1 O O57 1 -1.47929602 5.22549786 11.41953173 1 O O58 1 -3.78576588 -3.89385686 11.41953173 1 O O59 1 5.26506190 -1.33164100 11.41953173 1 O O60 1 5.26506190 1.33164100 8.19662034 1 O O61 1 -1.47929602 -5.22549786 8.19662034 1 O O62 1 -3.78576588 3.89385686 8.19662034 1 [/CIF]
C18H15Dy3N6O21
R32
155
trigonal
32
2,185.016305
true
[CIF] data_Zn2SnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99931993 _cell_length_b 4.99931993 _cell_length_c 4.99931993 _cell_angle_alpha 132.34327476 _cell_angle_beta 130.71382150 _cell_angle_gamma 70.98278521 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2SnPt _chemical_formula_sum 'Zn2 Sn1 Pt1' _cell_volume 68.54942073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 4.07046002 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 -0.00000000 2.08453876 2.00468259 1 Zn Zn3 1 2.01971611 -0.00000000 2.06577743 1 [/CIF]
PtSnZn2
Immm
71
orthorhombic
mmm
10,768.862469
false
[CIF] data_GeSe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90116633 _cell_length_b 4.90116633 _cell_length_c 4.90116633 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeSe2Cl _chemical_formula_sum 'Ge1 Se2 Cl1' _cell_volume 83.24982458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.73282398 1.73282398 1.73282398 1 Se Se2 1 3.46564795 3.46564795 3.46564795 1 Se Se3 1 5.19847193 5.19847193 5.19847193 1 [/CIF]
ClGeSe2
F-43m
216
cubic
-43m
5,306.016931
false
[CIF] data_Ag4SnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49170525 _cell_length_b 5.49170525 _cell_length_c 5.49170525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag4SnB _chemical_formula_sum 'Ag4 Sn1 B1' _cell_volume 117.11341921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85576962 2.91067442 4.85576962 1 Ag Ag1 1 2.91067442 4.85576962 4.85576962 1 Ag Ag2 1 2.91067442 2.91067442 2.91067442 1 Ag Ag3 1 4.85576962 4.85576962 2.91067442 1 B B4 1 0.00000000 0.00000000 0.00000000 1 Sn Sn5 1 5.82483303 5.82483303 5.82483303 1 [/CIF]
Ag4BSn
F-43m
216
cubic
-43m
7,954.273108
false
[CIF] data_CrReTcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29883142 _cell_length_b 4.29883142 _cell_length_c 4.29883142 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrReTcRu _chemical_formula_sum 'Cr1 Re1 Tc1 Ru1' _cell_volume 56.17411594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 4.55959928 4.55959928 4.55959928 1 Ru Ru2 1 3.03973285 3.03973285 3.03973285 1 Tc Tc3 1 1.51986643 1.51986643 1.51986643 1 [/CIF]
CrReRuTc
F-43m
216
cubic
-43m
12,952.831275
false
[CIF] data_Na2OsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55223743 _cell_length_b 5.55223743 _cell_length_c 2.77594078 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.31161548 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2OsBr _chemical_formula_sum 'Na2 Os1 Br1' _cell_volume 79.72305368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 1.56618361 2.29213962 1.38797039 1 Na Na2 1 1.56618361 -2.29213962 1.38797039 1 Os Os3 1 3.13236721 -0.00000000 0.00000000 1 [/CIF]
BrNa2Os
Cmmm
65
orthorhombic
mmm
6,584.279653
false
[CIF] data_MoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41433784 _cell_length_b 3.41433784 _cell_length_c 3.41433784 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPb _chemical_formula_sum 'Mo1 Pb1' _cell_volume 39.80333609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.70716892 1.70716892 1.70716892 1 [/CIF]
MoPb
Pm-3m
221
cubic
m-3m
12,647.407803
false
[CIF] data_AlCrInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51850250 _cell_length_b 4.51850250 _cell_length_c 4.51850250 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrInCu _chemical_formula_sum 'Al1 Cr1 In1 Cu1' _cell_volume 65.23318501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.59753188 1.59753188 1.59753188 1 Cu Cu2 1 3.19506376 3.19506376 3.19506376 1 In In3 1 4.79259564 4.79259564 4.79259564 1 [/CIF]
AlCrCuIn
F-43m
216
cubic
-43m
6,550.743219
false
[CIF] data_LaCu2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18657129 _cell_length_b 4.18657129 _cell_length_c 9.42053620 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCu2P _chemical_formula_sum 'La2 Cu4 P2' _cell_volume 142.99578530 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.09328565 1.20855903 0.66270288 1 Cu Cu1 1 0.00000000 2.41711806 5.37297098 1 Cu Cu2 1 -0.00000000 2.41711806 8.75783332 1 Cu Cu3 1 2.09328565 1.20855903 4.04756522 1 La La4 1 2.09328565 1.20855903 7.06540215 1 La La5 1 -0.00000000 2.41711806 2.35513405 1 P P6 1 0.00000000 0.00000000 4.71026810 1 P P7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu4La2P2
P6_3/mmc
194
hexagonal
6/mmm
6,896.801286
false
[CIF] data_CdHg2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.63834987 _cell_length_b 9.63834987 _cell_length_c 9.63834987 _cell_angle_alpha 18.86683033 _cell_angle_beta 18.86683033 _cell_angle_gamma 18.86683033 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdHg2Rh _chemical_formula_sum 'Cd1 Hg2 Rh1' _cell_volume 81.81689443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.19624266 1 Hg Hg1 1 0.00000000 -0.00000000 21.09649108 1 Hg Hg2 1 0.00000000 0.00000000 7.29599424 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdHg2Rh
R-3m
166
trigonal
-3m
12,512.287711
false
[CIF] data_GaAgHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40426585 _cell_length_b 5.40426585 _cell_length_c 5.40426585 _cell_angle_alpha 131.86628397 _cell_angle_beta 131.86628397 _cell_angle_gamma 70.44029897 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAgHg2 _chemical_formula_sum 'Ga1 Ag1 Hg2' _cell_volume 85.77503463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20387245 2.20748623 1 Ga Ga1 1 -0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 2.20387245 0.00000000 2.20748623 1 Hg Hg3 1 0.00000000 -0.00000000 4.41497246 1 [/CIF]
AgGaHg2
I-4m2
119
tetragonal
-42m
11,204.567767
false
[CIF] data_Si2SnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85352537 _cell_length_b 4.85352537 _cell_length_c 3.86208764 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2SnPb _chemical_formula_sum 'Si2 Sn1 Pb1' _cell_volume 90.97807280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.42676268 2.42676268 0.00000000 1 Si Si1 1 2.42676268 0.00000000 1.93104382 1 Si Si2 1 0.00000000 2.42676268 1.93104382 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbSi2Sn
P4/mmm
123
tetragonal
4/mmm
6,973.772993
false
[CIF] data_Ba2SrLi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38145004 _cell_length_b 4.38145004 _cell_length_c 10.64559099 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SrLi _chemical_formula_sum 'Ba2 Sr1 Li1' _cell_volume 204.36452220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.19072502 2.19072502 8.50336818 1 Ba Ba1 1 2.19072502 2.19072502 2.14222281 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 5.32279550 1 [/CIF]
Ba2LiSr
P4/mmm
123
tetragonal
4/mmm
3,000.011572
false
[CIF] data_FeBPbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91634446 _cell_length_b 5.97533000 _cell_length_c 8.35824872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBPbO4 _chemical_formula_sum 'Fe4 B4 Pb4 O16' _cell_volume 345.42502701 _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 4.98056298 4.48149750 1.94832642 1 B B1 1 1.52239075 4.48149750 2.23079794 1 B B2 1 5.39395371 1.49383250 6.12745078 1 B B3 1 1.93578148 1.49383250 6.40992230 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 Fe Fe5 1 0.00000000 2.98766500 0.00000000 1 Fe Fe6 1 3.45817223 0.00000000 4.17912436 1 Fe Fe7 1 3.45817223 2.98766500 4.17912436 1 O O8 1 5.63384733 4.48149750 0.72469510 1 O O9 1 6.15296338 1.49383250 0.97565419 1 O O10 1 1.18384523 3.28159232 1.63249536 1 O O11 1 1.18384523 5.68140268 1.63249536 1 O O12 1 4.64201746 3.28159232 2.54662900 1 O O13 1 4.64201746 5.68140268 2.54662900 1 O O14 1 2.69479115 1.49383250 3.20347017 1 O O15 1 2.17567510 4.48149750 3.45442926 1 O O16 1 4.74066936 1.49383250 4.90381946 1 O O17 1 4.22155331 4.48149750 5.15477855 1 O O18 1 2.27432700 0.29392732 5.81161972 1 O O19 1 2.27432700 2.69373768 5.81161972 1 O O20 1 5.73249923 0.29392732 6.72575336 1 O O21 1 5.73249923 2.69373768 6.72575336 1 O O22 1 0.76338108 4.48149750 7.38259453 1 O O23 1 1.28249713 1.49383250 7.63355362 1 Pb Pb24 1 3.80543110 1.49383250 1.16637338 1 Pb Pb25 1 0.34725887 1.49383250 3.01275098 1 Pb Pb26 1 6.56908559 4.48149750 5.34549774 1 Pb Pb27 1 3.11091336 4.48149750 7.19187534 1 [/CIF]
B4Fe4O16Pb4
Pnma
62
orthorhombic
mmm
6,496.565769
false
[CIF] data_CoSn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23153777 _cell_length_b 8.23153777 _cell_length_c 8.23153777 _cell_angle_alpha 23.92097949 _cell_angle_beta 23.92097949 _cell_angle_gamma 23.92097949 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSn2Ge _chemical_formula_sum 'Co1 Sn2 Ge1' _cell_volume 80.56825473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 -0.00000000 -0.00000000 11.98857371 1 Sn Sn2 1 -0.00000000 -0.00000000 17.68681305 1 Sn Sn3 1 0.00000000 0.00000000 6.29033437 1 [/CIF]
CoGeSn2
R-3m
166
trigonal
-3m
7,605.074931
false
[CIF] data_Sc2FeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88933357 _cell_length_b 2.88933357 _cell_length_c 8.25583628 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2FeOs _chemical_formula_sum 'Sc2 Fe1 Os1' _cell_volume 68.92177267 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.39787680 1 Os Os1 1 1.44466678 1.44466678 5.84972142 1 Sc Sc2 1 0.00000000 0.00000000 7.86059951 1 Sc Sc3 1 1.44466678 1.44466678 2.53139296 1 [/CIF]
FeOsSc2
P4mm
99
tetragonal
4mm
8,094.963689
false
[CIF] data_Si2Sn13(SbO14)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84451000 _cell_length_b 9.81108359 _cell_length_c 11.45896207 _cell_angle_alpha 86.71606429 _cell_angle_beta 78.70763012 _cell_angle_gamma 76.20512759 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Sn13(SbO14)2 _chemical_formula_sum 'Si2 Sn13 Sb2 O28' _cell_volume 732.78491105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.29795071 6.97177208 11.06832177 1 Si Si1 1 2.12982129 2.68130192 0.16810823 1 Sn Sn2 1 4.46624794 3.58514321 8.14962537 1 Sn Sn3 1 3.64562263 6.37075565 2.29559141 1 Sn Sn4 1 9.60521331 6.27783752 7.83261197 1 Sn Sn5 1 6.96152406 6.06793079 3.08680463 1 Sn Sn6 1 7.78214937 3.28231835 8.94083859 1 Sn Sn7 1 3.16588481 0.89989717 4.85327255 1 Sn Sn8 1 5.64345008 3.22936025 1.37272094 1 Sn Sn9 1 0.00000000 0.00000000 0.00000000 1 Sn Sn10 1 5.94535018 9.36269616 1.94152027 1 Sn Sn11 1 5.78432192 6.42371375 9.86370906 1 Sn Sn12 1 1.82255869 3.37523648 3.40381803 1 Sn Sn13 1 5.48242182 0.29037784 9.29490973 1 Sn Sn14 1 8.26188719 8.75317683 6.38315745 1 Sb Sb15 1 8.98964384 9.49731483 3.37941250 1 Sb Sb16 1 2.43812816 0.15575917 7.85701750 1 O O17 1 8.84419286 5.49920558 3.60990539 1 O O18 1 5.17088936 6.59060537 3.69942603 1 O O19 1 4.04632735 7.27467278 10.92209087 1 O O20 1 6.25812040 8.31981986 0.08456537 1 O O21 1 6.25688264 3.06246863 7.53700397 1 O O22 1 2.58357914 4.15386842 7.62652461 1 O O23 1 6.08475153 8.99997786 6.41011364 1 O O24 1 5.34302047 0.65309614 4.82631636 1 O O25 1 5.16965160 1.33325414 11.15186463 1 O O26 1 5.56183830 1.01158088 1.99354494 1 O O27 1 6.69108785 5.83604875 1.07065200 1 O O28 1 6.72186035 3.93134826 3.13357065 1 O O29 1 1.83194243 1.27261127 6.36722419 1 O O30 1 3.38509361 8.58597159 2.07048077 1 O O31 1 2.65994679 3.34635354 1.57725768 1 O O32 1 7.38144465 2.37840122 0.31433913 1 O O33 1 8.04267839 1.06710241 9.16594923 1 O O34 1 5.86593370 8.64149312 9.24288506 1 O O35 1 9.59582957 8.38046273 4.86920581 1 O O36 1 7.52969218 8.08228649 2.82413061 1 O O37 1 3.89807982 1.57078751 8.41229939 1 O O38 1 8.76782521 6.30672046 9.65917232 1 O O39 1 10.14506323 8.32514109 7.61788379 1 O O40 1 8.01178497 6.79449786 6.78239904 1 O O41 1 4.73668415 3.81702525 10.16577800 1 O O42 1 1.28270877 1.32793291 3.61854621 1 O O43 1 4.70591165 5.72172574 8.10285935 1 O O44 1 3.41598703 2.85857614 4.45403096 1 [/CIF]
O28Sb2Si2Sn13
P-1
2
triclinic
-1
5,191.340412
true
[CIF] data_CaZrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77306390 _cell_length_b 4.77306390 _cell_length_c 4.77306390 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrW _chemical_formula_sum 'Ca1 Zr1 W1' _cell_volume 76.89121927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 5.06259877 5.06259877 5.06259877 1 Zr Zr2 1 3.37506585 3.37506585 3.37506585 1 [/CIF]
CaWZr
F-43m
216
cubic
-43m
6,805.791448
false
[CIF] data_Sc2CuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24827365 _cell_length_b 3.24827365 _cell_length_c 6.47124233 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CuRu _chemical_formula_sum 'Sc2 Cu1 Ru1' _cell_volume 68.27990081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 3.23562116 1 Sc Sc2 1 1.62413683 1.62413683 4.78536936 1 Sc Sc3 1 1.62413683 1.62413683 1.68587297 1 [/CIF]
CuRuSc2
P4/mmm
123
tetragonal
4/mmm
6,190.011853
false
[CIF] data_SrTiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18051677 _cell_length_b 3.18051677 _cell_length_c 8.17497786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiGe2 _chemical_formula_sum 'Sr1 Ti1 Ge2' _cell_volume 82.69551664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.59025839 1.59025839 1.72807301 1 Ge Ge1 1 1.59025839 1.59025839 6.44690485 1 Sr Sr2 1 0.00000000 0.00000000 4.08748893 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2SrTi
P4/mmm
123
tetragonal
4/mmm
5,637.845811
false
[CIF] data_NaBiMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80642476 _cell_length_b 4.80642476 _cell_length_c 4.80642476 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBiMoPd _chemical_formula_sum 'Na1 Bi1 Mo1 Pd1' _cell_volume 78.51478512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.09798331 5.09798331 5.09798331 1 Mo Mo1 1 3.39865554 3.39865554 3.39865554 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.69932777 1.69932777 1.69932777 1 [/CIF]
BiMoNaPd
F-43m
216
cubic
-43m
9,186.237007
false
[CIF] data_La2AsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34586877 _cell_length_b 4.34586877 _cell_length_c 6.12819598 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AsBr _chemical_formula_sum 'La2 As1 Br1' _cell_volume 115.74063523 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26489066 1 Br Br1 1 2.17293439 2.17293439 5.39134568 1 La La2 1 0.00000000 0.00000000 5.33299183 1 La La3 1 2.17293439 2.17293439 2.33126172 1 [/CIF]
AsBrLa2
P4mm
99
tetragonal
4mm
6,207.06699
false
[CIF] data_BaScPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67152759 _cell_length_b 5.67152759 _cell_length_c 5.67152759 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScPb2 _chemical_formula_sum 'Ba1 Sc1 Pb2' _cell_volume 128.99864544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.01556343 6.01556343 6.01556343 1 Pb Pb1 1 2.00518781 2.00518781 2.00518781 1 Pb Pb2 1 4.01037562 4.01037562 4.01037562 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPb2Sc
F-43m
216
cubic
-43m
7,680.819302
false
[CIF] data_MoPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24236200 _cell_length_b 5.24236200 _cell_length_c 3.07707940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.54781021 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPbAu2 _chemical_formula_sum 'Mo1 Pb1 Au2' _cell_volume 77.52338891 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43626109 -2.19265681 1.53853970 1 Au Au1 1 1.43626110 2.19265682 1.53853970 1 Mo Mo2 1 -0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.87252219 0.00000000 0.00000000 1 [/CIF]
Au2MoPb
Cmmm
65
orthorhombic
mmm
14,931.627796
false
[CIF] data_Hf2CoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65591379 _cell_length_b 4.65591379 _cell_length_c 4.65591379 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CoAu _chemical_formula_sum 'Hf2 Co1 Au1' _cell_volume 71.36738624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29222821 3.29222821 3.29222821 1 Co Co1 1 -0.00000000 -0.00000000 0.00000000 1 Hf Hf2 1 4.93834231 4.93834231 4.93834231 1 Hf Hf3 1 1.64611411 1.64611411 1.64611411 1 [/CIF]
AuCoHf2
Fm-3m
225
cubic
m-3m
14,260.166232
false
[CIF] data_ErTiSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00673600 _cell_length_b 4.00673600 _cell_length_c 7.50818500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErTiSi _chemical_formula_sum 'Er2 Ti2 Si2' _cell_volume 120.53590175 _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 Er Er0 1 2.00336800 0.00000000 2.57949019 1 Er Er1 1 0.00000000 2.00336800 4.92869481 1 Si Si2 1 0.00000000 2.00336800 1.81479011 1 Si Si3 1 2.00336800 0.00000000 5.69339489 1 Ti Ti4 1 2.00336800 2.00336800 0.00000000 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Er2Si2Ti2
P4/nmm
129
tetragonal
4/mmm
6,701.11048
false
[CIF] data_HfRuW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21083565 _cell_length_b 3.21083565 _cell_length_c 6.48103077 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRuW2 _chemical_formula_sum 'Hf1 Ru1 W2' _cell_volume 66.81596359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60541782 1.60541782 3.27654104 1 Ru Ru1 1 0.00000000 0.00000000 4.89526344 1 W W2 1 1.60541782 1.60541782 0.03825526 1 W W3 1 0.00000000 0.00000000 1.51148642 1 [/CIF]
HfRuW2
P4mm
99
tetragonal
4mm
16,085.486876
false
[CIF] data_CoSi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59332146 _cell_length_b 4.59332146 _cell_length_c 4.59332146 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSi2Pb _chemical_formula_sum 'Co1 Si2 Pb1' _cell_volume 68.52759997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.24796875 3.24796875 3.24796875 1 Pb Pb1 1 1.62398438 1.62398438 1.62398438 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 4.87195313 4.87195313 4.87195313 1 [/CIF]
CoPbSi2
F-43m
216
cubic
-43m
7,809.973023
false
[CIF] data_TaTeAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53977753 _cell_length_b 5.53977753 _cell_length_c 5.53977753 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTeAu4 _chemical_formula_sum 'Ta1 Te1 Au4' _cell_volume 120.21591771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.89553646 4.89553646 2.93889206 1 Au Au1 1 4.89553646 2.93889206 4.89553646 1 Au Au2 1 2.93889206 4.89553646 4.89553646 1 Au Au3 1 2.93889206 2.93889206 2.93889206 1 Ta Ta4 1 5.87582139 5.87582139 5.87582139 1 Te Te5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au4TaTe
F-43m
216
cubic
-43m
15,144.737685
false
[CIF] data_TaVInPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60804621 _cell_length_b 4.60804621 _cell_length_c 4.60804621 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaVInPd _chemical_formula_sum 'Ta1 V1 In1 Pd1' _cell_volume 69.18874892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 4.88757108 4.88757108 4.88757108 1 Pd Pd1 1 1.62919036 1.62919036 1.62919036 1 Ta Ta2 1 3.25838072 3.25838072 3.25838072 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InPdTaV
F-43m
216
cubic
-43m
10,875.116669
false
[CIF] data_Nb2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50320210 _cell_length_b 4.50320210 _cell_length_c 2.67784121 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Fe _chemical_formula_sum 'Nb2 Fe1' _cell_volume 47.02819703 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 2.25160105 1.29996247 1.33892061 1 Nb Nb2 1 -0.00000000 2.59992495 1.33892061 1 [/CIF]
FeNb2
P6/mmm
191
hexagonal
6/mmm
8,532.798969
false
[CIF] data_Hf2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66639468 _cell_length_b 4.66639468 _cell_length_c 4.66639468 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2IrPd _chemical_formula_sum 'Hf2 Ir1 Pd1' _cell_volume 71.85043574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64981966 1.64981966 1.64981966 1 Hf Hf1 1 4.94945898 4.94945898 4.94945898 1 Ir Ir2 1 3.29963932 3.29963932 3.29963932 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2IrPd
Fm-3m
225
cubic
m-3m
15,151.997757
false
[CIF] data_Sr2AlW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30463691 _cell_length_b 5.30463691 _cell_length_c 5.30463691 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlW _chemical_formula_sum 'Sr2 Al1 W1' _cell_volume 105.54848168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75094473 3.75094473 3.75094473 1 Sr Sr2 1 1.87547237 1.87547237 1.87547237 1 W W3 1 5.62641710 5.62641710 5.62641710 1 [/CIF]
AlSr2W
F-43m
216
cubic
-43m
6,073.704299
false
[CIF] data_CaHf2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41922371 _cell_length_b 5.41922371 _cell_length_c 5.78950966 _cell_angle_alpha 100.98174011 _cell_angle_beta 100.98174011 _cell_angle_gamma 34.36566692 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf2Ga _chemical_formula_sum 'Ca1 Hf2 Ga1' _cell_volume 94.04785716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 4.72953144 0.00000000 2.95247660 1 Ga Ga1 1 1.80301699 0.00000000 4.41060705 1 Hf Hf2 1 10.22924337 -0.00000000 0.05337842 1 Hf Hf3 1 7.39333753 0.00000000 1.09341401 1 [/CIF]
CaGaHf2
Cm
8
monoclinic
m
8,241.634732
false
[CIF] data_YMgGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44072342 _cell_length_b 4.44072342 _cell_length_c 4.17435862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgGa2 _chemical_formula_sum 'Y1 Mg1 Ga2' _cell_volume 82.31845413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22036171 0.00000000 2.08717931 1 Ga Ga1 1 0.00000000 2.22036171 2.08717931 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.22036171 2.22036171 0.00000000 1 [/CIF]
Ga2MgY
P4/mmm
123
tetragonal
4/mmm
5,096.632291
false
[CIF] data_NaHgAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61951109 _cell_length_b 5.61951109 _cell_length_c 5.61951109 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHgAu4 _chemical_formula_sum 'Na1 Hg1 Au4' _cell_volume 125.48175971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.96644700 4.96644700 2.98074180 1 Au Au1 1 4.96644700 2.98074180 4.96644700 1 Au Au2 1 2.98074180 4.96644700 4.96644700 1 Au Au3 1 2.98074180 2.98074180 2.98074180 1 Hg Hg4 1 5.96039160 5.96039160 5.96039160 1 Na Na5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au4HgNa
F-43m
216
cubic
-43m
13,384.779396
false
[CIF] data_Cr3Ag5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82550135 _cell_length_b 7.82550135 _cell_length_c 7.82550135 _cell_angle_alpha 96.47057453 _cell_angle_beta 96.47057453 _cell_angle_gamma 140.77006249 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3Ag5 _chemical_formula_sum 'Cr6 Ag10' _cell_volume 285.48860800 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 8.01374498 0.72949249 0.00000000 1 Ag Ag1 1 0.72949249 2.41096880 0.00000000 1 Ag Ag2 1 5.21235689 0.00000000 1.31350130 1 Ag Ag3 1 5.94184938 2.80138809 0.00000000 1 Ag Ag4 1 2.80138809 4.48286440 0.00000000 1 Ag Ag5 1 2.41096880 0.72949249 2.62700261 1 Ag Ag6 1 -0.72949249 2.41096880 2.62700261 1 Ag Ag7 1 0.00000000 5.21235689 1.31350130 1 Ag Ag8 1 4.48286440 2.80138809 2.62700261 1 Ag Ag9 1 -2.80138809 4.48286440 2.62700261 1 Cr Cr10 1 3.40052975 1.81182714 -0.00000000 1 Cr Cr11 1 0.00000000 0.00000000 1.31350130 1 Cr Cr12 1 3.40052975 -1.81182714 2.62700261 1 Cr Cr13 1 1.81182714 7.02418403 -0.00000000 1 Cr Cr14 1 0.00000000 0.00000000 3.94050391 1 Cr Cr15 1 1.81182714 3.40052975 2.62700261 1 [/CIF]
Ag10Cr6
I4/mcm
140
tetragonal
4/mmm
8,088.746165
false
[CIF] data_YTa4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66171524 _cell_length_b 5.66171524 _cell_length_c 5.66171524 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTa4Se _chemical_formula_sum 'Y1 Ta4 Se1' _cell_volume 128.33025867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 4.97913305 4.97913305 3.02774143 1 Ta Ta2 1 4.97913305 3.02774143 4.97913305 1 Ta Ta3 1 3.02774143 4.97913305 4.97913305 1 Ta Ta4 1 3.02774143 3.02774143 3.02774143 1 Y Y5 1 6.00515586 6.00515586 6.00515586 1 [/CIF]
SeTa4Y
F-43m
216
cubic
-43m
11,537.667829
false
[CIF] data_CaBe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48765811 _cell_length_b 3.48765811 _cell_length_c 6.43398805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBe2Te _chemical_formula_sum 'Ca1 Be2 Te1' _cell_volume 78.26148064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74382906 1.74382906 4.33299518 1 Be Be1 1 1.74382906 1.74382906 2.10099287 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.21699402 1 [/CIF]
Be2CaTe
P4/mmm
123
tetragonal
4/mmm
3,940.201842
false
[CIF] data_BaMgCuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03874273 _cell_length_b 5.03874273 _cell_length_c 5.03874273 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgCuTc _chemical_formula_sum 'Ba1 Mg1 Cu1 Tc1' _cell_volume 90.45895257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.34439373 5.34439373 5.34439373 1 Cu Cu1 1 3.56292915 3.56292915 3.56292915 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.78146458 1.78146458 1.78146458 1 [/CIF]
BaCuMgTc
F-43m
216
cubic
-43m
5,949.156603
false
[CIF] data_K2FeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72391934 _cell_length_b 4.56459961 _cell_length_c 6.97591518 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2FeMo _chemical_formula_sum 'K2 Fe1 Mo1' _cell_volume 86.73574705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.84222340 1 K K1 1 1.36195967 2.28229981 6.80104908 1 K K2 1 0.00000000 0.00000000 1.87154261 1 Mo Mo3 1 1.36195967 2.28229981 3.92497293 1 [/CIF]
FeK2Mo
Pmm2
25
orthorhombic
mm2
4,403.336054
false
[CIF] data_SrMn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40595613 _cell_length_b 4.27540831 _cell_length_c 4.89368047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2Mo _chemical_formula_sum 'Sr1 Mn2 Mo1' _cell_volume 71.26105633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70297807 0.00000000 2.44684023 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 0.00000000 2.13770416 2.44684023 1 Sr Sr3 1 1.70297807 2.13770416 0.00000000 1 [/CIF]
Mn2MoSr
Pmmm
47
orthorhombic
mmm
6,838.171182
false
[CIF] data_LaNbB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46310943 _cell_length_b 4.46310943 _cell_length_c 4.46310943 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbB2 _chemical_formula_sum 'La1 Nb1 B2' _cell_volume 62.86336244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.73384241 4.73384241 4.73384241 1 B B1 1 1.57794747 1.57794747 1.57794747 1 La La2 1 3.15589494 3.15589494 3.15589494 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2LaNb
Fm-3m
225
cubic
m-3m
6,694.468644
false
[CIF] data_Na2InNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64597721 _cell_length_b 5.64597721 _cell_length_c 3.12407947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.75038944 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2InNi _chemical_formula_sum 'Na2 In1 Ni1' _cell_volume 83.75573555 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.70482915 -0.00000000 0.00000000 1 Na Na1 1 1.35241458 -2.47795066 1.56203973 1 Na Na2 1 1.35241458 2.47795066 1.56203973 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InNa2Ni
Cmmm
65
orthorhombic
mmm
4,351.621723
false
[CIF] data_Mg2NbCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99798641 _cell_length_b 9.99798641 _cell_length_c 9.99798641 _cell_angle_alpha 16.31876544 _cell_angle_beta 16.31876544 _cell_angle_gamma 16.31876544 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2NbCr _chemical_formula_sum 'Mg2 Nb1 Cr1' _cell_volume 68.79358175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 -0.00000000 -0.00000000 22.01359198 1 Mg Mg2 1 -0.00000000 -0.00000000 7.57484011 1 Nb Nb3 1 -0.00000000 0.00000000 14.79421605 1 [/CIF]
CrMg2Nb
R-3m
166
trigonal
-3m
4,671.003089
false
[CIF] data_KBaMnNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18108574 _cell_length_b 5.18108574 _cell_length_c 5.18108574 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaMnNb _chemical_formula_sum 'K1 Ba1 Mn1 Nb1' _cell_volume 98.34388028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.83179043 1.83179043 1.83179043 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 5.49537129 5.49537129 5.49537129 1 Nb Nb3 1 3.66358086 3.66358086 3.66358086 1 [/CIF]
BaKMnNb
F-43m
216
cubic
-43m
5,475.303038
false
[CIF] data_Sr2ZrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31233328 _cell_length_b 4.31233328 _cell_length_c 5.41970334 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZrIr _chemical_formula_sum 'Sr2 Zr1 Ir1' _cell_volume 100.78598653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15616664 2.15616664 0.00000000 1 Sr Sr1 1 2.15616664 0.00000000 2.70985167 1 Sr Sr2 1 0.00000000 2.15616664 2.70985167 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrSr2Zr
P4/mmm
123
tetragonal
4/mmm
7,557.178789
false
[CIF] data_ScRePdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70390854 _cell_length_b 4.70390854 _cell_length_c 4.70390854 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRePdPb _chemical_formula_sum 'Sc1 Re1 Pd1 Pb1' _cell_volume 73.59725397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32616563 3.32616563 3.32616563 1 Pd Pd1 1 4.98924845 4.98924845 4.98924845 1 Re Re2 1 1.66308282 1.66308282 1.66308282 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbPdReSc
F-43m
216
cubic
-43m
12,291.672031
false