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_CrCoRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98491960 _cell_length_b 3.98491960 _cell_length_c 3.98491960 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCoRe _chemical_formula_sum 'Cr1 Co1 Re1' _cell_volume 44.74491545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 2.81776367 2.81776367 2.81776367 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.40888184 1.40888184 1.40888184 1 [/CIF]
CoCrRe
F-43m
216
cubic
-43m
11,027.094832
false
[CIF] data_AlSiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95822169 _cell_length_b 4.95822169 _cell_length_c 4.95822169 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSiSn2 _chemical_formula_sum 'Al1 Si1 Sn2' _cell_volume 86.19117976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 3.50599218 3.50599218 3.50599218 1 Sn Sn2 1 5.25898827 5.25898827 5.25898827 1 Sn Sn3 1 1.75299609 1.75299609 1.75299609 1 [/CIF]
AlSiSn2
Fm-3m
225
cubic
m-3m
5,634.986728
false
[CIF] data_Na2ZrCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09391349 _cell_length_b 3.30937119 _cell_length_c 9.67234673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZrCu _chemical_formula_sum 'Na2 Zr1 Cu1' _cell_volume 99.03426994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 7.02801380 1 Na Na1 1 1.54695674 1.65468559 9.07898230 1 Na Na2 1 0.00000000 0.00000000 2.58068492 1 Zr Zr3 1 1.54695674 1.65468559 5.49318589 1 [/CIF]
CuNa2Zr
Pmm2
25
orthorhombic
mm2
3,366.03129
false
[CIF] data_SrHf2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27041567 _cell_length_b 5.27041567 _cell_length_c 5.27041567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Cd _chemical_formula_sum 'Sr1 Hf2 Cd1' _cell_volume 103.51889044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 5.59011999 5.59011999 5.59011999 1 Hf Hf1 1 1.86337333 1.86337333 1.86337333 1 Hf Hf2 1 3.72674666 3.72674666 3.72674666 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdHf2Sr
F-43m
216
cubic
-43m
8,934.973338
false
[CIF] data_Cd2BAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13250774 _cell_length_b 3.13250774 _cell_length_c 7.95437961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2BAu _chemical_formula_sum 'Cd2 B1 Au1' _cell_volume 78.05318307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56625387 1.56625387 5.08702597 1 B B1 1 0.00000000 0.00000000 4.59739899 1 Cd Cd2 1 1.56625387 1.56625387 0.00515324 1 Cd Cd3 1 0.00000000 0.00000000 2.24199113 1 [/CIF]
AuBCd2
P4mm
99
tetragonal
4mm
9,203.320816
false
[CIF] data_ReAgRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41846581 _cell_length_b 4.41846581 _cell_length_c 4.41846581 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAgRh2 _chemical_formula_sum 'Re1 Ag1 Rh2' _cell_volume 60.99573935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 3.12432714 3.12432714 3.12432714 1 Rh Rh2 1 1.56216357 1.56216357 1.56216357 1 Rh Rh3 1 4.68649071 4.68649071 4.68649071 1 [/CIF]
AgReRh2
Fm-3m
225
cubic
m-3m
13,608.82863
false
[CIF] data_SrTa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67437868 _cell_length_b 4.67437868 _cell_length_c 4.67437868 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTa2Fe _chemical_formula_sum 'Sr1 Ta2 Fe1' _cell_volume 72.21986599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 3.30528486 3.30528486 3.30528486 1 Ta Ta2 1 4.95792729 4.95792729 4.95792729 1 Ta Ta3 1 1.65264243 1.65264243 1.65264243 1 [/CIF]
FeSrTa2
Fm-3m
225
cubic
m-3m
11,619.6738
false
[CIF] data_Mg2FeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11946226 _cell_length_b 5.11946226 _cell_length_c 5.11946226 _cell_angle_alpha 134.71133399 _cell_angle_beta 134.71133399 _cell_angle_gamma 65.97905365 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2FeAs _chemical_formula_sum 'Mg2 Fe1 As1' _cell_volume 66.72966946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 4.29405192 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 0.00000000 1.97104185 2.14702596 1 Mg Mg3 1 1.97104185 -0.00000000 2.14702596 1 [/CIF]
AsFeMg2
I4/mmm
139
tetragonal
4/mmm
4,463.744684
false
[CIF] data_ReSiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26573487 _cell_length_b 3.26573487 _cell_length_c 7.37308504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSiSb2 _chemical_formula_sum 'Re1 Si1 Sb2' _cell_volume 78.63413083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 0.00000000 3.68654252 1 Sb Sb1 1 1.63286744 1.63286744 5.34296786 1 Sb Sb2 1 1.63286744 1.63286744 2.03011718 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReSb2Si
P4/mmm
123
tetragonal
4/mmm
9,667.782921
false
[CIF] data_YTaTlV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91292255 _cell_length_b 4.91292255 _cell_length_c 4.91292255 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaTlV _chemical_formula_sum 'Y1 Ta1 Tl1 V1' _cell_volume 83.85032595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 5.21094128 5.21094128 5.21094128 1 Tl Tl1 1 3.47396085 3.47396085 3.47396085 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.73698043 1.73698043 1.73698043 1 [/CIF]
TaTlVY
F-43m
216
cubic
-43m
10,400.430245
false
[CIF] data_KTcBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92221785 _cell_length_b 4.92221785 _cell_length_c 4.92221785 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTcBiPt _chemical_formula_sum 'K1 Tc1 Bi1 Pt1' _cell_volume 84.32716406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74026681 1.74026681 1.74026681 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.22080043 5.22080043 5.22080043 1 Tc Tc3 1 3.48053362 3.48053362 3.48053362 1 [/CIF]
BiKPtTc
F-43m
216
cubic
-43m
10,674.218626
false
[CIF] data_Ti2AlTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14827511 _cell_length_b 5.14827511 _cell_length_c 5.14827511 _cell_angle_alpha 133.05258250 _cell_angle_beta 133.05258250 _cell_angle_gamma 68.57158227 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2AlTl _chemical_formula_sum 'Ti2 Al1 Tl1' _cell_volume 71.55377486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 0.00000000 2.05070324 2.12685032 1 Ti Ti2 1 2.05070325 -0.00000000 2.12685032 1 Tl Tl3 1 0.00000000 0.00000000 4.25370063 1 [/CIF]
AlTi2Tl
I4/mmm
139
tetragonal
4/mmm
7,591.08933
false
[CIF] data_MgRe2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47716982 _cell_length_b 4.47716982 _cell_length_c 4.47716982 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRe2Ag _chemical_formula_sum 'Mg1 Re2 Ag1' _cell_volume 63.45936248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.16583714 3.16583714 3.16583714 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.58291857 1.58291857 1.58291857 1 Re Re3 1 4.74875571 4.74875571 4.74875571 1 [/CIF]
AgMgRe2
Fm-3m
225
cubic
m-3m
13,203.516792
false
[CIF] data_MgNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30824800 _cell_length_b 2.96622800 _cell_length_c 4.30739200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi _chemical_formula_sum 'Mg2 Ni2' _cell_volume 55.04522133 _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 Mg Mg0 1 3.23118600 0.00000000 1.03980594 1 Mg Mg1 1 1.07706200 0.00000000 3.26758606 1 Ni Ni2 1 1.07706200 1.48311400 1.12983594 1 Ni Ni3 1 3.23118600 1.48311400 3.17755606 1 [/CIF]
Mg2Ni2
Pmma
51
orthorhombic
mmm
5,007.594931
false
[CIF] data_Zn2CuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64345531 _cell_length_b 4.64345531 _cell_length_c 4.64345531 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CuSn _chemical_formula_sum 'Zn2 Cu1 Sn1' _cell_volume 70.79601513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 3.28341874 3.28341874 3.28341874 1 Zn Zn2 1 4.92512811 4.92512811 4.92512811 1 Zn Zn3 1 1.64170937 1.64170937 1.64170937 1 [/CIF]
CuSnZn2
Fm-3m
225
cubic
m-3m
7,341.872216
false
[CIF] data_AgHg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03545248 _cell_length_b 3.03545248 _cell_length_c 8.60941397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHg2Pt _chemical_formula_sum 'Ag1 Hg2 Pt1' _cell_volume 79.32689718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.26552538 1 Hg Hg1 1 1.51772624 1.51772624 8.44949729 1 Hg Hg2 1 0.00000000 0.00000000 2.43437844 1 Pt Pt3 1 1.51772624 1.51772624 4.37413382 1 [/CIF]
AgHg2Pt
P4mm
99
tetragonal
4mm
14,739.502839
false
[CIF] data_AlCdGaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12413471 _cell_length_b 5.12413471 _cell_length_c 5.12413471 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdGaPb _chemical_formula_sum 'Al1 Cd1 Ga1 Pb1' _cell_volume 95.13637893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 5.43496560 5.43496560 5.43496560 1 Ga Ga2 1 3.62331040 3.62331040 3.62331040 1 Pb Pb3 1 1.81165520 1.81165520 1.81165520 1 [/CIF]
AlCdGaPb
F-43m
216
cubic
-43m
7,266.49704
false
[CIF] data_MnZn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27269646 _cell_length_b 4.27269646 _cell_length_c 4.27269646 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZn2W _chemical_formula_sum 'Mn1 Zn2 W1' _cell_volume 55.15579190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 4.53187896 4.53187896 4.53187896 1 Zn Zn2 1 3.02125264 3.02125264 3.02125264 1 Zn Zn3 1 1.51062632 1.51062632 1.51062632 1 [/CIF]
MnWZn2
F-43m
216
cubic
-43m
11,125.438311
false
[CIF] data_MgBePtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42938315 _cell_length_b 4.42938315 _cell_length_c 4.42938315 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBePtAu _chemical_formula_sum 'Mg1 Be1 Pt1 Au1' _cell_volume 61.44898999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13204686 3.13204686 3.13204686 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.56602343 1.56602343 1.56602343 1 Pt Pt3 1 4.69807029 4.69807029 4.69807029 1 [/CIF]
AuBeMgPt
F-43m
216
cubic
-43m
11,494.733571
false
[CIF] data_NbVBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.71297289 _cell_length_b 10.71297289 _cell_length_c 10.71297289 _cell_angle_alpha 17.66227309 _cell_angle_beta 17.66227309 _cell_angle_gamma 17.66227309 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVBi2 _chemical_formula_sum 'Nb1 V1 Bi2' _cell_volume 98.79459192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.68950701 1 Bi Bi1 1 -0.00000000 0.00000000 7.28961036 1 Nb Nb2 1 0.00000000 0.00000000 15.38473986 1 V V3 1 0.00000000 0.00000000 24.08098379 1 [/CIF]
Bi2NbV
R3m
160
trigonal
3m
9,442.877829
false
[CIF] data_Re2TcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.22964616 _cell_length_b 9.22964616 _cell_length_c 9.22964616 _cell_angle_alpha 17.20015923 _cell_angle_beta 17.20015923 _cell_angle_gamma 17.20015923 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TcPt _chemical_formula_sum 'Re2 Tc1 Pt1' _cell_volume 59.98860284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.63652128 1 Re Re1 1 0.00000000 0.00000000 20.39421313 1 Re Re2 1 0.00000000 0.00000000 6.87882943 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtRe2Tc
R-3m
166
trigonal
-3m
18,446.674141
false
[CIF] data_Fe(ReN2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80091424 _cell_length_b 5.29098387 _cell_length_c 8.64695169 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.67605824 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe(ReN2)3 _chemical_formula_sum 'Fe2 Re6 N12' _cell_volume 192.70575830 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -2.07464984 2.64549193 3.79318750 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 -2.09329581 4.85056740 5.60022333 1 Re Re3 1 -0.01864597 3.08590841 1.80703583 1 Re Re4 1 2.74491037 0.44041647 1.98615167 1 Re Re5 1 0.67026053 2.20507546 5.77933917 1 Re Re6 1 0.32580728 0.00000000 3.79318750 1 Re Re7 1 2.40045712 2.64549193 0.00000000 1 N N8 1 1.19162199 3.59554761 4.46024478 1 N N9 1 3.26627183 4.34092819 0.66705728 1 N N10 1 -0.54000743 1.69543626 3.12613022 1 N N11 1 -2.61465727 0.95005568 6.91931772 1 N N12 1 -3.39560896 3.68877686 6.92119770 1 N N13 1 -1.32095912 4.24769894 3.12801020 1 N N14 1 4.04722351 1.60220701 0.66517730 1 N N15 1 1.97257367 1.04328493 4.45836481 1 N N16 1 -0.30301940 0.36940036 5.75964547 1 N N17 1 1.77163044 2.27609158 1.96645797 1 N N18 1 0.95463395 4.92158351 1.82672953 1 N N19 1 -1.12001589 3.01489229 5.61991703 1 [/CIF]
Fe2N12Re6
P2_1/c
14
monoclinic
2/m
12,038.009072
false
[CIF] data_Bi2BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22790102 _cell_length_b 5.22790102 _cell_length_c 5.22790102 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2BSb _chemical_formula_sum 'Bi2 B1 Sb1' _cell_volume 101.03388911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 5.54502639 5.54502639 5.54502639 1 Bi Bi2 1 1.84834213 1.84834213 1.84834213 1 Sb Sb3 1 3.69668426 3.69668426 3.69668426 1 [/CIF]
BBi2Sb
Fm-3m
225
cubic
m-3m
9,048.246775
false
[CIF] data_InHgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11566212 _cell_length_b 4.77116437 _cell_length_c 6.16621447 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InHgTe2 _chemical_formula_sum 'In1 Hg1 Te2' _cell_volume 121.08287331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05783106 2.38558219 0.00000000 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.38558219 3.08310723 1 Te Te3 1 2.05783106 0.00000000 3.08310723 1 [/CIF]
HgInTe2
Pmmm
47
orthorhombic
mmm
7,825.358366
false
[CIF] data_Tl2CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55615449 _cell_length_b 4.42284288 _cell_length_c 5.02833393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CuPd _chemical_formula_sum 'Tl2 Cu1 Pd1' _cell_volume 79.08720774 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 2.21142144 2.51416696 1 Tl Tl2 1 1.77807724 2.21142144 0.00000000 1 Tl Tl3 1 1.77807724 0.00000000 2.51416696 1 [/CIF]
CuPdTl2
Pmmm
47
orthorhombic
mmm
12,151.24568
false
[CIF] data_NbZnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25627267 _cell_length_b 3.25627267 _cell_length_c 7.00636027 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnSe2 _chemical_formula_sum 'Nb1 Zn1 Se2' _cell_volume 74.29062184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 3.50318014 1 Se Se1 1 1.62813633 1.62813633 5.02866844 1 Se Se2 1 1.62813633 1.62813633 1.97769183 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbSe2Zn
P4/mmm
123
tetragonal
4/mmm
7,067.824096
false
[CIF] data_CaBeBiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75530520 _cell_length_b 4.75530520 _cell_length_c 4.75530520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeBiRh _chemical_formula_sum 'Ca1 Be1 Bi1 Rh1' _cell_volume 76.03616205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 3.36250855 3.36250855 3.36250855 1 Ca Ca2 1 1.68125427 1.68125427 1.68125427 1 Rh Rh3 1 5.04376282 5.04376282 5.04376283 1 [/CIF]
BeBiCaRh
F-43m
216
cubic
-43m
7,883.286979
false
[CIF] data_YPtAuC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56047520 _cell_length_b 4.56047520 _cell_length_c 4.56047520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPtAuC _chemical_formula_sum 'Y1 Pt1 Au1 C1' _cell_volume 67.06799096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61237147 1.61237147 1.61237147 1 Pt Pt1 1 4.83711441 4.83711441 4.83711441 1 Au Au2 1 3.22474294 3.22474294 3.22474294 1 C C3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CAuPtY
F-43m
216
cubic
-43m
12,205.392587
false
[CIF] data_CaY3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55560396 _cell_length_b 5.55560396 _cell_length_c 5.55560396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaY3As _chemical_formula_sum 'Ca1 Y3 As1' _cell_volume 171.47224599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77780198 0.00000000 2.77780198 1 Y Y1 1 2.77780198 2.77780198 0.00000000 1 Y Y2 1 0.00000000 2.77780198 2.77780198 1 As As3 1 2.77780198 2.77780198 2.77780198 1 Ca Ca4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCaY3
Pm-3m
221
cubic
m-3m
3,696.552969
false
[CIF] data_TaRu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44060449 _cell_length_b 4.44060449 _cell_length_c 4.44060449 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRu2Pt _chemical_formula_sum 'Ta1 Ru2 Pt1' _cell_volume 61.91719655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13998155 3.13998155 3.13998155 1 Ru Ru1 1 4.70997232 4.70997233 4.70997233 1 Ru Ru2 1 1.56999078 1.56999078 1.56999077 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtRu2Ta
Fm-3m
225
cubic
m-3m
15,505.821443
false
[CIF] data_La2MgI8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46298139 _cell_length_b 9.46298139 _cell_length_c 13.54212782 _cell_angle_alpha 110.97991533 _cell_angle_beta 110.97991533 _cell_angle_gamma 61.56952152 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MgI8 _chemical_formula_sum 'La4 Mg2 I16' _cell_volume 969.38861934 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 2.62635147 -2.03470003 2.33294025 1 La La1 1 -0.19558703 2.03470003 8.48793575 1 La La2 1 10.81093003 -2.03470003 3.82205525 1 La La3 1 7.98899153 2.03470003 9.97705075 1 Mg Mg4 1 6.71864075 -4.75461905 3.07749775 1 Mg Mg5 1 3.89670225 4.75461905 9.23249325 1 I I6 1 3.96837461 -0.03980216 4.45880184 1 I I7 1 12.21682036 0.77498936 4.61419086 1 I I8 1 5.14986134 2.88104074 1.83076648 1 I I9 1 5.64571874 -2.67391745 1.16088139 1 I I10 1 1.14643611 0.03980216 10.61379734 1 I I11 1 9.39488186 -0.77498936 10.76918636 1 I I12 1 2.32792284 -2.88104074 7.98576198 1 I I13 1 2.82378024 2.67391745 7.31587689 1 I I14 1 7.79156276 -2.67391745 4.99411411 1 I I15 1 8.28742016 2.88104074 4.32422902 1 I I16 1 1.22046114 0.77498936 1.54080464 1 I I17 1 9.46890689 -0.03980216 1.69619366 1 I I18 1 4.96962426 2.67391745 11.14910961 1 I I19 1 5.46548166 -2.88104074 10.47922452 1 I I20 1 -1.60147736 -0.77498936 7.69580014 1 I I21 1 6.64696839 0.03980216 7.85118916 1 [/CIF]
I16La4Mg2
C2/c
15
monoclinic
2/m
4,513.182678
false
[CIF] data_VZnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24520033 _cell_length_b 4.24520033 _cell_length_c 4.24520033 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnSe _chemical_formula_sum 'V1 Zn1 Se1' _cell_volume 54.09779574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.50271491 4.50271491 4.50271491 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 3.00180994 3.00180994 3.00180994 1 [/CIF]
SeVZn
F-43m
216
cubic
-43m
5,994.191728
false
[CIF] data_KSc2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93293799 _cell_length_b 5.93293799 _cell_length_c 7.27181947 _cell_angle_alpha 104.82052696 _cell_angle_beta 104.82052696 _cell_angle_gamma 33.11332586 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSc2Br _chemical_formula_sum 'K1 Sc2 Br1' _cell_volume 134.76265782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04566427 0.00000000 3.93410200 1 K K1 1 8.29436048 0.00000000 2.06008795 1 Sc Sc2 1 9.24459199 -0.00000000 5.99956602 1 Sc Sc3 1 0.99879806 -0.00000000 5.52653491 1 [/CIF]
BrKSc2
Cm
8
monoclinic
m
2,574.22991
false
[CIF] data_Be2SbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20870546 _cell_length_b 4.20870546 _cell_length_c 5.40491809 _cell_angle_alpha 101.60043616 _cell_angle_beta 101.60043616 _cell_angle_gamma 44.68534862 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2SbAu _chemical_formula_sum 'Be2 Sb1 Au1' _cell_volume 65.71415403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30521169 -0.00000000 2.63781916 1 Be Be1 1 5.55340298 -0.00000000 1.79963344 1 Be Be2 1 1.05702040 0.00000000 3.47600487 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBe2Sb
C2/m
12
monoclinic
2/m
8,509.400877
false
[CIF] data_MnPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55446497 _cell_length_b 5.55446497 _cell_length_c 13.64910699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPt3 _chemical_formula_sum 'Mn6 Pt18' _cell_volume 364.68620428 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.23683024 1 Mn Mn1 1 0.00000000 0.00000000 3.41227675 1 Mn Mn2 1 0.00000000 3.20687185 1.16585171 1 Mn Mn3 1 -0.00000000 3.20687185 5.65870178 1 Mn Mn4 1 2.77723249 1.60343592 12.48325528 1 Mn Mn5 1 2.77723249 1.60343592 7.99040521 1 Pt Pt6 1 -1.38325588 2.40824869 10.23683024 1 Pt Pt7 1 4.16048837 2.40205908 3.41227675 1 Pt Pt8 1 0.00000000 1.60355540 12.52239491 1 Pt Pt9 1 0.00000000 1.60355540 7.95126557 1 Pt Pt10 1 -1.38851278 4.00853007 12.52239491 1 Pt Pt11 1 -1.38851278 4.00853007 7.95126557 1 Pt Pt12 1 1.38871971 0.80177770 1.12671208 1 Pt Pt13 1 1.38871971 0.80177770 5.69784142 1 Pt Pt14 1 -0.00000000 4.80411816 10.23683024 1 Pt Pt15 1 2.77723249 0.00618962 3.41227675 1 Pt Pt16 1 1.38325588 2.40824869 10.23683024 1 Pt Pt17 1 1.39397661 2.40205908 3.41227675 1 Pt Pt18 1 1.38851278 4.00853007 12.52239491 1 Pt Pt19 1 1.38851278 4.00853007 7.95126557 1 Pt Pt20 1 4.16574526 0.80177770 1.12671208 1 Pt Pt21 1 4.16574526 0.80177770 5.69784142 1 Pt Pt22 1 2.77723249 3.20675238 1.12671208 1 Pt Pt23 1 2.77723249 3.20675238 5.69784142 1 [/CIF]
Mn6Pt18
P6_3/mmc
194
hexagonal
6/mmm
17,490.004676
false
[CIF] data_GaNi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22952387 _cell_length_b 4.22952387 _cell_length_c 3.30509845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaNi2Sb _chemical_formula_sum 'Ga1 Ni2 Sb1' _cell_volume 59.12448381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 0.00000000 2.11476194 1.65254923 1 Ni Ni2 1 2.11476194 0.00000000 1.65254923 1 Sb Sb3 1 2.11476194 2.11476194 0.00000000 1 [/CIF]
GaNi2Sb
P4/mmm
123
tetragonal
4/mmm
8,675.746887
false
[CIF] data_TaGeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21865361 _cell_length_b 5.21865361 _cell_length_c 5.21865361 _cell_angle_alpha 129.95921133 _cell_angle_beta 129.95921133 _cell_angle_gamma 73.47198049 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGeBr2 _chemical_formula_sum 'Ta1 Ge1 Br2' _cell_volume 81.49745121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.18222947 1 Br Br1 1 0.00000000 2.20718171 2.09111474 1 Ge Ge2 1 -0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 2.20718171 0.00000000 2.09111474 1 [/CIF]
Br2GeTa
I-4m2
119
tetragonal
-42m
8,423.085612
false
[CIF] data_LiHfPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27204135 _cell_length_b 5.27204135 _cell_length_c 5.27204135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfPt4 _chemical_formula_sum 'Li1 Hf1 Pt4' _cell_volume 103.61471245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86394810 1.86394810 1.86394810 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 2.79246362 4.66332876 2.79246362 1 Pt Pt3 1 4.66332876 2.79246362 2.79246362 1 Pt Pt4 1 4.66332876 4.66332876 4.66332876 1 Pt Pt5 1 2.79246362 2.79246362 4.66332876 1 [/CIF]
HfLiPt4
F-43m
216
cubic
-43m
15,477.472213
false
[CIF] data_NbAlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27366200 _cell_length_b 4.27366200 _cell_length_c 4.27366200 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlPd _chemical_formula_sum 'Nb1 Al1 Pd1' _cell_volume 55.19319253 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.51096769 1.51096769 1.51096769 1 Pd Pd2 1 4.53290307 4.53290307 4.53290307 1 [/CIF]
AlNbPd
F-43m
216
cubic
-43m
6,808.686411
false
[CIF] data_YNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21723179 _cell_length_b 6.21723179 _cell_length_c 6.21723179 _cell_angle_alpha 148.33742820 _cell_angle_beta 148.33742820 _cell_angle_gamma 45.38749973 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNiPb _chemical_formula_sum 'Y1 Ni1 Pb1' _cell_volume 66.00273135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.45122349 1 Pb Pb1 1 -0.00000000 0.00000000 4.12381769 1 Y Y2 1 0.00000000 0.00000000 7.36853814 1 [/CIF]
NiPbY
I4mm
107
tetragonal
4mm
8,926.267192
false
[CIF] data_HfCdMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92840438 _cell_length_b 4.92840438 _cell_length_c 4.92840438 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdMoPb _chemical_formula_sum 'Hf1 Cd1 Mo1 Pb1' _cell_volume 84.64552592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 5.22736224 5.22736224 5.22736224 1 Hf Hf1 1 1.74245408 1.74245408 1.74245408 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.48490816 3.48490816 3.48490816 1 [/CIF]
CdHfMoPb
F-43m
216
cubic
-43m
11,654.03
false
[CIF] data_Sm2Mo2C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94246047 _cell_length_b 5.94246047 _cell_length_c 5.81682099 _cell_angle_alpha 105.64352035 _cell_angle_beta 105.64352035 _cell_angle_gamma 33.81832448 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Mo2C3 _chemical_formula_sum 'Sm2 Mo2 C3' _cell_volume 109.68807311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 C C1 1 6.99573014 0.00000000 4.27256121 1 C C2 1 2.73598191 0.00000000 1.30846108 1 Mo Mo3 1 0.28757921 0.00000000 4.92223512 1 Mo Mo4 1 9.44413284 0.00000000 0.65878716 1 Sm Sm5 1 6.41573418 0.00000000 1.80711286 1 Sm Sm6 1 3.31597787 -0.00000000 3.77390943 1 [/CIF]
C3Mo2Sm2
C2/m
12
monoclinic
2/m
8,003.428728
false
[CIF] data_Tb3Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17542419 _cell_length_b 6.17542419 _cell_length_c 6.17542419 _cell_angle_alpha 131.77123026 _cell_angle_beta 131.77123026 _cell_angle_gamma 70.59058467 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Y _chemical_formula_sum 'Tb3 Y1' _cell_volume 128.33937347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.52302900 2.52014450 1 Tb Tb1 1 2.52302900 0.00000000 2.52014450 1 Tb Tb2 1 0.00000000 0.00000000 5.04028900 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Tb3Y
I4/mmm
139
tetragonal
4/mmm
7,319.163783
false
[CIF] data_Al2SiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69255941 _cell_length_b 4.69255941 _cell_length_c 4.69255941 _cell_angle_alpha 131.49509908 _cell_angle_beta 131.49509908 _cell_angle_gamma 71.02764154 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SiIr _chemical_formula_sum 'Al2 Si1 Ir1' _cell_volume 56.76391718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92750560 0.00000000 1.90981401 1 Al Al1 1 -0.00000000 1.92750560 1.90981401 1 Ir Ir2 1 0.00000000 -0.00000000 3.81962801 1 Si Si3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
Al2IrSi
I4/mmm
139
tetragonal
4/mmm
8,023.207844
false
[CIF] data_SiPbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69261383 _cell_length_b 4.69261383 _cell_length_c 4.34320626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPbCl2 _chemical_formula_sum 'Si1 Pb1 Cl2' _cell_volume 95.64011443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34630691 2.17160313 1 Cl Cl1 1 2.34630691 0.00000000 2.17160313 1 Pb Pb2 1 2.34630691 2.34630691 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2PbSi
P4/mmm
123
tetragonal
4/mmm
5,316.210156
false
[CIF] data_Sr3GaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01951345 _cell_length_b 6.01951345 _cell_length_c 6.01951345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3GaB _chemical_formula_sum 'Sr3 Ga1 B1' _cell_volume 218.11431398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 3.00975673 0.00000000 3.00975673 1 Sr Sr1 1 3.00975673 3.00975673 0.00000000 1 Sr Sr2 1 0.00000000 3.00975673 3.00975673 1 B B3 1 0.00000000 0.00000000 0.00000000 1 Ga Ga4 1 3.00975673 3.00975673 3.00975673 1 [/CIF]
BGaSr3
Pm-3m
221
cubic
m-3m
2,614.313301
false
[CIF] data_YFeBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89977780 _cell_length_b 4.89977780 _cell_length_c 4.89977780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeBiPt _chemical_formula_sum 'Y1 Fe1 Bi1 Pt1' _cell_volume 83.17908909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46466611 3.46466611 3.46466611 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.19699917 5.19699917 5.19699917 1 Bi Bi3 1 1.73233306 1.73233306 1.73233306 1 [/CIF]
BiFePtY
F-43m
216
cubic
-43m
10,956.229179
false
[CIF] data_Cs3CdO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05964143 _cell_length_b 6.05964143 _cell_length_c 6.05964143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3CdO _chemical_formula_sum 'Cs3 Cd1 O1' _cell_volume 222.50551439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 3.02982072 0.00000000 1 Cs Cs1 1 0.00000000 0.00000000 3.02982072 1 Cs Cs2 1 3.02982072 0.00000000 0.00000000 1 O O3 1 0.00000000 0.00000000 0.00000000 1 Cd Cd4 1 3.02982072 3.02982072 3.02982072 1 [/CIF]
CdCs3O
Pm-3m
221
cubic
m-3m
3,933.900574
false
[CIF] data_Mg2MoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99021350 _cell_length_b 4.65506963 _cell_length_c 4.68141409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2MoIr _chemical_formula_sum 'Mg2 Mo1 Ir1' _cell_volume 65.16365524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32753481 2.34070705 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.49510675 0.00000000 2.34070705 1 Mo Mo3 1 1.49510675 2.32753481 0.00000000 1 [/CIF]
IrMg2Mo
Pmmm
47
orthorhombic
mmm
8,582.206885
false
[CIF] data_ZnPd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20594414 _cell_length_b 3.20594414 _cell_length_c 7.09938706 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPd2Pb _chemical_formula_sum 'Zn1 Pd2 Pb1' _cell_volume 72.96805274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60297207 1.60297207 5.47194473 1 Pd Pd1 1 0.00000000 0.00000000 0.13114740 1 Pd Pd2 1 1.60297207 1.60297207 1.88237231 1 Zn Zn3 1 0.00000000 0.00000000 3.16361615 1 [/CIF]
PbPd2Zn
P4mm
99
tetragonal
4mm
11,046.736804
false
[CIF] data_SnAs2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16256695 _cell_length_b 5.16256695 _cell_length_c 5.16256695 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnAs2Pb _chemical_formula_sum 'Sn1 As2 Pb1' _cell_volume 97.29311158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.47572915 5.47572915 5.47572915 1 As As1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.82524305 1.82524305 1.82524305 1 Sn Sn3 1 3.65048610 3.65048610 3.65048610 1 [/CIF]
As2PbSn
F-43m
216
cubic
-43m
8,119.863389
false
[CIF] data_NaInAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97362339 _cell_length_b 4.11169689 _cell_length_c 6.83564957 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.70419850 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaInAu2 _chemical_formula_sum 'Na1 In1 Au2' _cell_volume 83.57070058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47859918 2.05584845 1.76324142 1 Au Au1 1 1.41101221 2.05584845 5.07189186 1 In In2 1 -0.04200600 0.00000000 3.41756664 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2InNa
P2/m
10
monoclinic
2/m
10,565.623403
false
[CIF] data_MnSbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.78254339 _cell_length_b 11.78254339 _cell_length_c 11.78254339 _cell_angle_alpha 16.86711723 _cell_angle_beta 16.86711723 _cell_angle_gamma 16.86711723 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSbCl2 _chemical_formula_sum 'Mn1 Sb1 Cl2' _cell_volume 120.12315093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 24.73314723 1 Cl Cl1 1 -0.00000000 0.00000000 10.10391365 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 -0.00000000 17.41853044 1 [/CIF]
Cl2MnSb
R-3m
166
trigonal
-3m
3,422.788915
false
[CIF] data_CaTa2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73293415 _cell_length_b 5.73293415 _cell_length_c 5.73293415 _cell_angle_alpha 139.60869547 _cell_angle_beta 139.60869547 _cell_angle_gamma 58.44792337 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa2Cu _chemical_formula_sum 'Ca1 Ta2 Cu1' _cell_volume 78.39244990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 0.00000000 5.00323467 1 Ta Ta2 1 0.00000000 1.97916356 2.50161733 1 Ta Ta3 1 1.97916356 0.00000000 2.50161734 1 [/CIF]
CaCuTa2
I4/mmm
139
tetragonal
4/mmm
9,860.818851
false
[CIF] data_Sr2MoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26386858 _cell_length_b 3.26386858 _cell_length_c 9.27372758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MoPt _chemical_formula_sum 'Sr2 Mo1 Pt1' _cell_volume 98.79151831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 4.63686379 1 Sr Sr2 1 1.63193429 1.63193429 6.74321537 1 Sr Sr3 1 1.63193429 1.63193429 2.53051221 1 [/CIF]
MoPtSr2
P4/mmm
123
tetragonal
4/mmm
7,837.816678
false
[CIF] data_ReBiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15833161 _cell_length_b 5.15833161 _cell_length_c 3.52124808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBiSb2 _chemical_formula_sum 'Re1 Bi1 Sb2' _cell_volume 93.69472459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.57916581 2.57916581 0.00000000 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 2.57916581 1.76062404 1 Sb Sb3 1 2.57916581 0.00000000 1.76062404 1 [/CIF]
BiReSb2
P4/mmm
123
tetragonal
4/mmm
11,319.725785
false
[CIF] data_Dy2PuNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13194765 _cell_length_b 5.13194765 _cell_length_c 5.13194765 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2PuNb _chemical_formula_sum 'Dy2 Pu1 Nb1' _cell_volume 95.57221584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81441749 1.81441749 1.81441749 1 Dy Dy1 1 5.44325248 5.44325248 5.44325248 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pu Pu3 1 3.62883498 3.62883499 3.62883498 1 [/CIF]
Dy2NbPu
Fm-3m
225
cubic
m-3m
11,500.428161
false
[CIF] data_LiReTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47369624 _cell_length_b 5.44615866 _cell_length_c 4.61544644 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.65595529 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiReTe2 _chemical_formula_sum 'Li1 Re1 Te2' _cell_volume 86.32185949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.17810200 0.00000000 2.00771099 1 Re Re1 1 2.52809047 2.72307933 3.54244010 1 Te Te2 1 2.48256965 0.00000000 4.27060332 1 Te Te3 1 0.75890644 2.72307933 1.58643535 1 [/CIF]
LiReTe2
Pm
6
monoclinic
m
8,624.691055
false
[CIF] data_LiTiZnCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55731033 _cell_length_b 4.55731033 _cell_length_c 4.55731033 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiZnCd _chemical_formula_sum 'Li1 Ti1 Zn1 Cd1' _cell_volume 66.92845681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.83375756 4.83375756 4.83375756 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 3.22250504 3.22250504 3.22250504 1 Zn Zn3 1 1.61125252 1.61125252 1.61125252 1 [/CIF]
CdLiTiZn
F-43m
216
cubic
-43m
5,770.93429
false
[CIF] data_Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85470098 _cell_length_b 2.85470098 _cell_length_c 2.85470098 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag _chemical_formula_sum Ag1 _cell_volume 17.90853179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Ag
Im-3m
229
cubic
m-3m
10,001.900895
false
[CIF] data_NbCr4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82908910 _cell_length_b 4.82908910 _cell_length_c 4.82908910 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr4Pt _chemical_formula_sum 'Nb1 Cr4 Pt1' _cell_volume 79.63072281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.27825628 2.55110702 4.27825628 1 Cr Cr1 1 2.55110702 4.27825628 4.27825628 1 Cr Cr2 1 2.55110702 2.55110702 2.55110702 1 Cr Cr3 1 4.27825628 4.27825628 2.55110702 1 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1 Pt Pt5 1 5.12202248 5.12202248 5.12202247 1 [/CIF]
Cr4NbPt
F-43m
216
cubic
-43m
10,342.55962
false
[CIF] data_SrLiZrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05562996 _cell_length_b 5.05562996 _cell_length_c 5.05562996 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiZrMo _chemical_formula_sum 'Sr1 Li1 Zr1 Mo1' _cell_volume 91.37151786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.36230535 5.36230535 5.36230535 1 Sr Sr2 1 3.57487023 3.57487023 3.57487023 1 Zr Zr3 1 1.78743512 1.78743512 1.78743512 1 [/CIF]
LiMoSrZr
F-43m
216
cubic
-43m
5,120.289016
false
[CIF] data_Mg2TeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06234204 _cell_length_b 5.06234204 _cell_length_c 4.03502074 _cell_angle_alpha 102.81762252 _cell_angle_beta 102.81762252 _cell_angle_gamma 101.28602458 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TeAs _chemical_formula_sum 'Mg2 Te1 As1' _cell_volume 94.99927383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 0.89934548 1.95712637 1.89002603 1 Mg Mg2 1 0.89934548 -1.95712637 1.89002603 1 Te Te3 1 3.21028541 -0.00000000 0.00000000 1 [/CIF]
AsMg2Te
C2/m
12
monoclinic
2/m
4,389.652845
false
[CIF] data_NaSb3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31932216 _cell_length_b 5.31932216 _cell_length_c 5.31932216 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSb3S _chemical_formula_sum 'Na1 Sb3 S1' _cell_volume 150.51122184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.65966108 0.00000000 2.65966108 1 Sb Sb1 1 2.65966108 2.65966108 0.00000000 1 Sb Sb2 1 0.00000000 2.65966108 2.65966108 1 S S3 1 2.65966108 2.65966108 2.65966108 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NaSSb3
Pm-3m
221
cubic
m-3m
4,637.4104
false
[CIF] data_YRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07182948 _cell_length_b 7.77899755 _cell_length_c 4.47354298 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRh2 _chemical_formula_sum 'Y2 Rh4' _cell_volume 106.89868255 _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 Rh Rh0 1 0.56381624 2.62080394 0.00000000 1 Rh Rh1 1 0.97209850 6.51030271 2.23677149 1 Rh Rh2 1 2.09973098 1.26869484 2.23677149 1 Rh Rh3 1 2.50801324 5.15819361 0.00000000 1 Y Y4 1 0.00000000 0.00000000 0.00000000 1 Y Y5 1 1.53591474 3.88949878 2.23677149 1 [/CIF]
Rh4Y2
Pnnm
58
orthorhombic
mmm
9,156.124871
false
[CIF] data_Mg2InB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42331332 _cell_length_b 3.69722875 _cell_length_c 6.15719394 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.78767003 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2InB _chemical_formula_sum 'Mg2 In1 B1' _cell_volume 75.68468962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 -0.73370498 0.00000000 2.98988901 1 Mg Mg2 1 1.05909791 1.84861437 4.77362971 1 Mg Mg3 1 0.89680545 1.84861437 1.20614832 1 [/CIF]
BInMg2
P2/m
10
monoclinic
2/m
3,822.842742
false
[CIF] data_EuBeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37703367 _cell_length_b 4.37703367 _cell_length_c 4.37703367 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuBeOs2 _chemical_formula_sum 'Eu1 Be1 Os2' _cell_volume 59.29590003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Eu Eu1 1 3.09503019 3.09503019 3.09503019 1 Os Os2 1 1.54751510 1.54751510 1.54751510 1 Os Os3 1 4.64254529 4.64254529 4.64254529 1 [/CIF]
BeEuOs2
Fm-3m
225
cubic
m-3m
15,162.531168
false
[CIF] data_Er2CoTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94266840 _cell_length_b 4.94266840 _cell_length_c 4.94266840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2CoTe _chemical_formula_sum 'Er2 Co1 Te1' _cell_volume 85.38261008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Er Er1 1 5.24249151 5.24249151 5.24249151 1 Er Er2 1 1.74749717 1.74749717 1.74749717 1 Te Te3 1 3.49499434 3.49499434 3.49499434 1 [/CIF]
CoEr2Te
Fm-3m
225
cubic
m-3m
10,133.513888
false
[CIF] data_BaBIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17179784 _cell_length_b 5.17179784 _cell_length_c 5.17179784 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBIr3 _chemical_formula_sum 'Ba1 B1 Ir3' _cell_volume 138.33262599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 2.58589892 2.58589892 2.58589892 1 Ir Ir2 1 2.58589892 0.00000000 2.58589892 1 Ir Ir3 1 2.58589892 2.58589892 0.00000000 1 Ir Ir4 1 0.00000000 2.58589892 2.58589892 1 [/CIF]
BBaIr3
Pm-3m
221
cubic
m-3m
8,700.336894
false
[CIF] data_ZrAl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03328695 _cell_length_b 4.03328695 _cell_length_c 4.32132940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Ge _chemical_formula_sum 'Zr1 Al2 Ge1' _cell_volume 70.29680953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.01664347 0.00000000 2.16066470 1 Al Al1 1 0.00000000 2.01664347 2.16066470 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.01664347 2.01664347 0.00000000 1 [/CIF]
Al2GeZr
P4/mmm
123
tetragonal
4/mmm
5,145.473513
false
[CIF] data_Sc2NbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77432345 _cell_length_b 5.77432345 _cell_length_c 5.77432345 _cell_angle_alpha 147.32541298 _cell_angle_beta 131.28805996 _cell_angle_gamma 59.89439208 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2NbPd _chemical_formula_sum 'Sc2 Nb1 Pd1' _cell_volume 77.41133883 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 5.14716243 1 Pd Pd1 1 0.00000000 2.38135684 2.46299719 1 Sc Sc2 1 0.00000000 -0.00000000 9.82465746 1 Sc Sc3 1 1.62426742 -0.00000000 2.57866078 1 [/CIF]
NbPdSc2
Imm2
44
orthorhombic
mm2
6,204.405512
false
[CIF] data_LaTlFePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28086042 _cell_length_b 5.28086042 _cell_length_c 5.28086042 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlFePb _chemical_formula_sum 'La1 Tl1 Fe1 Pb1' _cell_volume 104.13556243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.60119832 5.60119832 5.60119832 1 Pb Pb2 1 1.86706610 1.86706610 1.86706610 1 Tl Tl3 1 3.73413221 3.73413221 3.73413221 1 [/CIF]
FeLaPbTl
F-43m
216
cubic
-43m
9,668.559798
false
[CIF] data_Y2BBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99667416 _cell_length_b 4.99667416 _cell_length_c 3.31375305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2BBr _chemical_formula_sum 'Y2 B1 Br1' _cell_volume 82.73365278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 2.49833708 2.49833708 0.00000000 1 Y Y2 1 2.49833708 0.00000000 1.65687653 1 Y Y3 1 0.00000000 2.49833708 1.65687653 1 [/CIF]
BBrY2
P4/mmm
123
tetragonal
4/mmm
5,389.573176
false
[CIF] data_VHgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40467680 _cell_length_b 3.40467680 _cell_length_c 8.63505576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VHgPb2 _chemical_formula_sum 'V1 Hg1 Pb2' _cell_volume 100.09604757 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70233840 1.70233840 6.10221058 1 Pb Pb1 1 0.00000000 0.00000000 8.37945258 1 Pb Pb2 1 1.70233840 1.70233840 2.61231990 1 V V3 1 0.00000000 0.00000000 4.49365634 1 [/CIF]
HgPb2V
P4mm
99
tetragonal
4mm
11,047.441915
false
[CIF] data_BeCrNiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03858282 _cell_length_b 4.03858282 _cell_length_c 4.03858282 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrNiPt _chemical_formula_sum 'Be1 Cr1 Ni1 Pt1' _cell_volume 46.57705050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 4.28356395 4.28356395 4.28356395 1 Ni Ni2 1 2.85570930 2.85570930 2.85570930 1 Pt Pt3 1 1.42785465 1.42785465 1.42785465 1 [/CIF]
BeCrNiPt
F-43m
216
cubic
-43m
11,222.563837
false
[CIF] data_CoHgS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68684304 _cell_length_b 5.68684304 _cell_length_c 5.68684304 _cell_angle_alpha 101.64249264 _cell_angle_beta 101.64249264 _cell_angle_gamma 126.61187775 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHgS4 _chemical_formula_sum 'Co1 Hg1 S4' _cell_volume 131.89196558 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 3.59261700 1.27734000 1 S S2 1 1.19326977 1.29739100 1.09609823 1 S S3 1 2.39934723 2.29522600 -1.45858177 1 S S4 1 1.29739100 -1.19326977 4.01326177 1 S S5 1 2.29522600 4.78588677 1.45858177 1 [/CIF]
CoHgS4
I-4
82
tetragonal
-4
4,882.246935
false
[CIF] data_KNbCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86251848 _cell_length_b 5.37066345 _cell_length_c 6.54337595 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbCd2 _chemical_formula_sum 'K1 Nb1 Cd2' _cell_volume 100.59539746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.13338967 1 Cd Cd1 1 1.43125924 2.68533172 1.77248453 1 K K2 1 0.00000000 0.00000000 3.01970263 1 Nb Nb3 1 1.43125924 2.68533172 5.43286304 1 [/CIF]
Cd2KNb
Pmm2
25
orthorhombic
mm2
5,890.17646
false
[CIF] data_LaW2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96310942 _cell_length_b 3.96310942 _cell_length_c 5.41737805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaW2Se _chemical_formula_sum 'La1 W2 Se1' _cell_volume 85.08661964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.98155471 1.98155471 0.00000000 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 1.98155471 2.70868902 1 W W3 1 1.98155471 0.00000000 2.70868902 1 [/CIF]
LaSeW2
P4/mmm
123
tetragonal
4/mmm
11,427.426924
false
[CIF] data_BeNi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67714949 _cell_length_b 2.67714949 _cell_length_c 6.07850787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNi2Os _chemical_formula_sum 'Be1 Ni2 Os1' _cell_volume 43.56545241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69872834 1 Ni Ni1 1 1.33857475 1.33857475 5.87271816 1 Ni Ni2 1 0.00000000 0.00000000 1.46328479 1 Os Os3 1 1.33857475 1.33857475 3.16153832 1 [/CIF]
BeNi2Os
P4mm
99
tetragonal
4mm
12,068.617795
false
[CIF] data_CdNi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49004662 _cell_length_b 7.49004662 _cell_length_c 7.49004662 _cell_angle_alpha 25.72940653 _cell_angle_beta 25.72940653 _cell_angle_gamma 25.72940653 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNi2Se _chemical_formula_sum 'Cd1 Ni2 Se1' _cell_volume 69.73307176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.99114480 1 Ni Ni1 1 -0.00000000 -0.00000000 21.36962730 1 Ni Ni2 1 0.00000000 -0.00000000 5.46679524 1 Se Se3 1 0.00000000 -0.00000000 11.45953259 1 [/CIF]
CdNi2Se
R3m
160
trigonal
3m
7,352.384965
false
[CIF] data_ZrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99473981 _cell_length_b 2.99473981 _cell_length_c 4.39088302 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.23703143 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAu _chemical_formula_sum 'Zr1 Au1' _cell_volume 38.97324242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96004678 0.00000000 2.19544151 1 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2Zr2
Cmmm
65
orthorhombic
mmm
12,278.980878
false
[CIF] data_Y2ZnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38072085 _cell_length_b 5.38072085 _cell_length_c 5.38072085 _cell_angle_alpha 134.62455123 _cell_angle_beta 111.92658538 _cell_angle_gamma 85.64842293 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2ZnCl _chemical_formula_sum 'Y2 Zn1 Cl1' _cell_volume 98.66894895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Y Y1 1 -0.00000000 3.01171818 2.11976983 1 Y Y2 1 2.07538912 -0.00000000 1.82668053 1 Zn Zn3 1 0.00000000 -0.00000000 3.94645036 1 [/CIF]
ClY2Zn
Immm
71
orthorhombic
mmm
4,689.422711
false
[CIF] data_ScTcRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.97200592 _cell_length_b 8.97200592 _cell_length_c 8.97200592 _cell_angle_alpha 18.26503463 _cell_angle_beta 18.26503463 _cell_angle_gamma 18.26503463 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTcRu2 _chemical_formula_sum 'Sc1 Tc1 Ru2' _cell_volume 61.95765979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 -0.00000000 0.00000000 19.93596319 1 Ru Ru1 1 -0.00000000 -0.00000000 6.52415629 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 -0.00000000 0.00000000 13.23005974 1 [/CIF]
Ru2ScTc
R-3m
166
trigonal
-3m
9,273.268653
false
[CIF] data_Ta2InO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61851151 _cell_length_b 6.61851151 _cell_length_c 6.61851151 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2InO4 _chemical_formula_sum 'Ta4 In2 O8' _cell_volume 205.00572370 _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 2.33999718 2.33999718 2.33999718 1 O O2 1 3.73990391 5.62008482 5.62008482 1 O O3 1 3.73990391 3.73990391 3.73990391 1 O O4 1 5.62008482 3.73990391 5.62008482 1 O O5 1 6.07990110 6.07990110 7.96008200 1 O O6 1 5.62008482 5.62008482 3.73990391 1 O O7 1 6.07990110 7.96008200 6.07990110 1 O O8 1 7.96008200 7.96008200 7.96008200 1 O O9 1 7.96008200 6.07990110 6.07990110 1 Ta Ta10 1 3.50999578 3.50999578 5.84999296 1 Ta Ta11 1 5.84999296 3.50999578 3.50999577 1 Ta Ta12 1 3.50999578 5.84999296 3.50999577 1 Ta Ta13 1 5.84999296 5.84999296 5.84999296 1 [/CIF]
In2O8Ta4
Fd-3m
227
cubic
m-3m
8,759.499264
false
[CIF] data_YCr2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05449503 _cell_length_b 3.05449503 _cell_length_c 6.98253934 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2Re _chemical_formula_sum 'Y1 Cr2 Re1' _cell_volume 65.14667252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52724752 1.52724752 0.45874138 1 Cr Cr1 1 0.00000000 0.00000000 1.69542507 1 Re Re2 1 1.52724752 1.52724752 3.06007608 1 Y Y3 1 0.00000000 0.00000000 5.25956641 1 [/CIF]
Cr2ReY
P4mm
99
tetragonal
4mm
9,663.110601
false
[CIF] data_BeIn2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28414090 _cell_length_b 5.28414090 _cell_length_c 3.13933259 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeIn2Se _chemical_formula_sum 'Be1 In2 Se1' _cell_volume 87.65689994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 0.00000000 2.64207045 1.56966630 1 In In2 1 2.64207045 0.00000000 1.56966630 1 Se Se3 1 2.64207045 2.64207045 0.00000000 1 [/CIF]
BeIn2Se
P4/mmm
123
tetragonal
4/mmm
6,016.64894
false
[CIF] data_AlMoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12302948 _cell_length_b 5.12302948 _cell_length_c 5.12302948 _cell_angle_alpha 144.79875709 _cell_angle_beta 131.43608739 _cell_angle_gamma 61.38533393 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlMoRu2 _chemical_formula_sum 'Al1 Mo1 Ru2' _cell_volume 57.50859356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.44073671 1 Mo Mo1 1 1.54910283 0.00000000 2.20759649 1 Ru Ru2 1 -0.00000000 0.00000000 0.04852433 1 Ru Ru3 1 0.00000000 2.10672967 2.11390897 1 [/CIF]
AlMoRu2
Imm2
44
orthorhombic
mm2
9,386.607484
false
[CIF] data_NaCdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30358090 _cell_length_b 5.30358090 _cell_length_c 3.78011956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdBr2 _chemical_formula_sum 'Na1 Cd1 Br2' _cell_volume 106.32709113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 2.65179045 1.89005978 1 Br Br1 1 2.65179045 0.00000000 1.89005978 1 Cd Cd2 1 2.65179045 2.65179045 0.00000000 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2CdNa
P4/mmm
123
tetragonal
4/mmm
4,610.359465
false
[CIF] data_InSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88030929 _cell_length_b 5.88030929 _cell_length_c 5.88030929 _cell_angle_alpha 131.78449202 _cell_angle_beta 131.78449202 _cell_angle_gamma 70.56961201 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSb3 _chemical_formula_sum 'In1 Sb3' _cell_volume 110.76223089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 2.40183581 -0.00000000 2.40002119 1 Sb Sb2 1 0.00000000 0.00000000 4.80004238 1 Sb Sb3 1 0.00000000 2.40183581 2.40002119 1 [/CIF]
InSb3
I4/mmm
139
tetragonal
4/mmm
7,197.593245
false
[CIF] data_YB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08067537 _cell_length_b 5.08067537 _cell_length_c 5.21941899 _cell_angle_alpha 94.72708159 _cell_angle_beta 94.72708159 _cell_angle_gamma 36.65045784 _symmetry_Int_Tables_number 1 _chemical_formula_structural YB2 _chemical_formula_sum 'Y2 B4' _cell_volume 80.12111185 _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 0.94791208 -0.00000000 3.75607519 1 B B1 1 5.27374587 -0.00000000 3.34296668 1 B B2 1 3.91918504 -0.00000000 1.85674747 1 B B3 1 8.24501882 -0.00000000 1.44363897 1 Y Y4 1 7.88414005 -0.00000000 3.98364276 1 Y Y5 1 1.30879085 0.00000000 1.21607140 1 [/CIF]
B4Y2
C2/m
12
monoclinic
2/m
4,581.459459
false
[CIF] data_KZrIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74103355 _cell_length_b 4.74103355 _cell_length_c 4.74103355 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrIrPt _chemical_formula_sum 'K1 Zr1 Ir1 Pt1' _cell_volume 75.35361412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.67620849 1.67620849 1.67620849 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.35241697 3.35241697 3.35241697 1 Zr Zr3 1 5.02862546 5.02862546 5.02862546 1 [/CIF]
IrKPtZr
F-43m
216
cubic
-43m
11,406.668697
false
[CIF] data_TaHgSbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73464198 _cell_length_b 4.73464198 _cell_length_c 4.73464198 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaHgSbW _chemical_formula_sum 'Ta1 Hg1 Sb1 W1' _cell_volume 75.04926350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 1.67394872 1.67394872 1.67394872 1 W W1 1 5.02184617 5.02184617 5.02184617 1 Hg Hg2 1 3.34789745 3.34789745 3.34789745 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSbTaW
F-43m
216
cubic
-43m
15,203.604149
false
[CIF] data_MgRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31432990 _cell_length_b 4.31432990 _cell_length_c 5.89617518 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRu2 _chemical_formula_sum 'Mg2 Ru4' _cell_volume 95.04465779 _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 Mg Mg0 1 0.00000000 0.00000000 4.42213139 1 Mg Mg1 1 0.00000000 0.00000000 1.47404380 1 Ru Ru2 1 0.00000000 2.49087953 5.67963655 1 Ru Ru3 1 2.15716495 1.24543976 2.73154896 1 Ru Ru4 1 2.15716495 1.24543976 0.21653863 1 Ru Ru5 1 -0.00000000 2.49087953 3.16462622 1 [/CIF]
Mg2Ru4
P6_3/mmc
194
hexagonal
6/mmm
7,912.507189
false
[CIF] data_Al2NiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12786385 _cell_length_b 5.12786385 _cell_length_c 5.12786385 _cell_angle_alpha 136.54889898 _cell_angle_beta 124.71133492 _cell_angle_gamma 72.81825103 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2NiPb _chemical_formula_sum 'Al2 Ni1 Pb1' _cell_volume 74.55014734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09075922 1 Al Al1 1 1.89813551 -0.00000000 2.32090158 1 Ni Ni2 1 0.00000000 0.00000000 3.91438616 1 Pb Pb3 1 -0.00000000 2.37923445 1.92775524 1 [/CIF]
Al2NiPb
Imm2
44
orthorhombic
mm2
7,124.522151
false
[CIF] data_Sr2VB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58566948 _cell_length_b 3.58566948 _cell_length_c 9.69603712 _cell_angle_alpha 99.61465491 _cell_angle_beta 99.61465491 _cell_angle_gamma 58.22427003 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2VB _chemical_formula_sum 'Sr2 V1 B1' _cell_volume 104.02272444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 0.19736827 0.00000000 7.55361472 1 Sr Sr2 1 4.21440058 0.00000000 1.96359439 1 V V3 1 2.20588442 0.00000000 4.75860455 1 [/CIF]
BSr2V
C2/m
12
monoclinic
2/m
3,783.166677
false
[CIF] data_MgZnAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23217796 _cell_length_b 3.23217796 _cell_length_c 6.59925070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnAg2 _chemical_formula_sum 'Mg1 Zn1 Ag2' _cell_volume 68.94220289 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61608898 1.61608898 4.86447822 1 Ag Ag1 1 1.61608898 1.61608898 1.73477248 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 3.29962535 1 [/CIF]
Ag2MgZn
P4/mmm
123
tetragonal
4/mmm
7,356.367293
false
[CIF] data_NpVPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14392606 _cell_length_b 5.14392606 _cell_length_c 5.14392606 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpVPb2 _chemical_formula_sum 'Np1 V1 Pb2' _cell_volume 96.24300055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Np Np0 1 3.63730500 3.63730500 3.63730500 1 Pb Pb1 1 1.81865250 1.81865250 1.81865250 1 Pb Pb2 1 5.45595750 5.45595750 5.45595750 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NpPb2V
Fm-3m
225
cubic
m-3m
12,117.925378
false
[CIF] data_ZrSc2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29425579 _cell_length_b 5.28152416 _cell_length_c 5.36298831 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.57043599 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc2Cl _chemical_formula_sum 'Zr1 Sc2 Cl1' _cell_volume 93.12786606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63836425 0.00000000 4.41522748 1 Sc Sc1 1 1.91194850 2.64076208 5.04557552 1 Sc Sc2 1 1.83908298 0.00000000 1.68366959 1 Zr Zr3 1 0.36415836 2.64076208 2.23697421 1 [/CIF]
ClSc2Zr
Pm
6
monoclinic
m
3,861.939706
false
[CIF] data_Li2MnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03132018 _cell_length_b 5.03132018 _cell_length_c 2.46650941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 123.58717647 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MnOs _chemical_formula_sum 'Li2 Mn1 Os1' _cell_volume 52.01339348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.18902520 -2.21692687 1.23325470 1 Li Li1 1 1.18902520 2.21692687 1.23325470 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.37805039 0.00000000 0.00000000 1 [/CIF]
Li2MnOs
Cmmm
65
orthorhombic
mmm
8,270.229861
false
[CIF] data_CsIrPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06456289 _cell_length_b 6.06456289 _cell_length_c 6.06456289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsIrPb3 _chemical_formula_sum 'Cs1 Ir1 Pb3' _cell_volume 223.04809184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 3.03228145 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 3.03228145 1 Pb Pb2 1 3.03228145 0.00000000 0.00000000 1 Cs Cs3 1 0.00000000 0.00000000 0.00000000 1 Ir Ir4 1 3.03228145 3.03228145 3.03228145 1 [/CIF]
CsIrPb3
Pm-3m
221
cubic
m-3m
7,048.11955
false