Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
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_CdAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24872981 _cell_length_b 5.24872981 _cell_length_c 5.24872981 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAgTe2 _chemical_formula_sum 'Cd1 Ag1 Te2' _cell_volume 102.24631221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.71141244 3.71141244 3.71141244 1 Te Te2 1 5.56711866 5.56711866 5.56711866 1 Te Te3 1 1.85570622 1.85570622 1.85570622 1 [/CIF]
AgCdTe2
Fm-3m
225
cubic
m-3m
7,722.056375
false
[CIF] data_Tl4ZnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45071475 _cell_length_b 6.45071475 _cell_length_c 6.45071475 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl4ZnSb _chemical_formula_sum 'Tl4 Zn1 Sb1' _cell_volume 189.80537849 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28067207 2.28067207 2.28067207 1 Tl Tl1 1 3.42239311 3.42239311 5.70029517 1 Tl Tl2 1 3.42239311 5.70029517 3.42239311 1 Tl Tl3 1 5.70029517 3.42239311 3.42239311 1 Tl Tl4 1 5.70029517 5.70029517 5.70029517 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbTl4Zn
F-43m
216
cubic
-43m
8,789.524886
false
[CIF] data_PuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69435819 _cell_length_b 3.69435819 _cell_length_c 3.69435819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuBr _chemical_formula_sum 'Pu1 Br1' _cell_volume 50.42164400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pu Pu1 1 1.84717909 1.84717909 1.84717909 1 [/CIF]
BrPu
Pm-3m
221
cubic
m-3m
10,667.15012
false
[CIF] data_Sc2CrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52433339 _cell_length_b 5.52433339 _cell_length_c 5.52433339 _cell_angle_alpha 133.47347287 _cell_angle_beta 133.47347287 _cell_angle_gamma 67.91155945 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CrBi _chemical_formula_sum 'Sc2 Cr1 Bi1' _cell_volume 87.25661484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 -0.00000000 4.58226277 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 2.18187160 -0.00000000 2.29113139 1 Sc Sc3 1 -0.00000000 2.18187160 2.29113139 1 [/CIF]
BiCrSc2
I4/mmm
139
tetragonal
4/mmm
6,677.588525
false
[CIF] data_KTa2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48874432 _cell_length_b 3.48874432 _cell_length_c 8.78465390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTa2Te _chemical_formula_sum 'K1 Ta2 Te1' _cell_volume 106.92098243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.52686573 1 Ta Ta1 1 1.74437216 1.74437216 0.75507368 1 Ta Ta2 1 0.00000000 0.00000000 2.11699784 1 Te Te3 1 1.74437216 1.74437216 3.77804351 1 [/CIF]
KTa2Te
P4mm
99
tetragonal
4mm
8,209.483147
false
[CIF] data_LiZrB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23956248 _cell_length_b 4.23956248 _cell_length_c 4.23956248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrB4 _chemical_formula_sum 'Li1 Zr1 B4' _cell_volume 53.88254778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.74679502 2.24885174 3.74679502 1 B B1 1 2.24885174 3.74679502 3.74679502 1 B B2 1 2.24885174 2.24885174 2.24885174 1 B B3 1 3.74679502 3.74679502 2.24885174 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 Zr Zr5 1 4.49673507 4.49673507 4.49673507 1 [/CIF]
B4LiZr
F-43m
216
cubic
-43m
4,357.907682
false
[CIF] data_KCr2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64141213 _cell_length_b 4.64141213 _cell_length_c 6.97684785 _cell_angle_alpha 97.57154931 _cell_angle_beta 97.57154931 _cell_angle_gamma 34.89648418 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCr2Re _chemical_formula_sum 'K1 Cr2 Re1' _cell_volume 85.16194191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.68193032 0.00000000 6.86314892 1 Cr Cr1 1 1.79478698 -0.00000000 6.02867878 1 K K2 1 4.02928766 -0.00000000 3.50802681 1 Re Re3 1 6.22416374 0.00000000 0.87509293 1 [/CIF]
Cr2KRe
Cm
8
monoclinic
m
6,420.841881
false
[CIF] data_ScSiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39401771 _cell_length_b 4.39401771 _cell_length_c 4.39401771 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSiPd _chemical_formula_sum 'Sc1 Si1 Pd1' _cell_volume 59.98883273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10703972 3.10703972 3.10703972 1 Sc Sc1 1 1.55351986 1.55351986 1.55351986 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdScSi
F-43m
216
cubic
-43m
4,967.636009
false
[CIF] data_Si2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06405581 _cell_length_b 5.06405581 _cell_length_c 5.06405581 _cell_angle_alpha 144.55942120 _cell_angle_beta 144.55942120 _cell_angle_gamma 50.99157566 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2P _chemical_formula_sum 'Si2 P1' _cell_volume 43.43739128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 -0.00000000 0.00000000 5.96530095 1 Si Si2 1 0.00000000 -0.00000000 3.17650409 1 [/CIF]
PSi2
I4/mmm
139
tetragonal
4/mmm
3,331.401659
false
[CIF] data_TiNbRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63680857 _cell_length_b 4.63680857 _cell_length_c 4.63680857 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbRuPb _chemical_formula_sum 'Ti1 Nb1 Ru1 Pb1' _cell_volume 70.49243317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63935939 1.63935939 1.63935939 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 4.91807817 4.91807817 4.91807817 1 Ru Ru3 1 3.27871878 3.27871878 3.27871878 1 [/CIF]
NbPbRuTi
F-43m
216
cubic
-43m
10,577.788872
false
[CIF] data_CaY2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65832267 _cell_length_b 5.65832267 _cell_length_c 5.65832267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaY2Sc _chemical_formula_sum 'Ca1 Y2 Sc1' _cell_volume 128.09970556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 6.00155750 6.00155750 6.00155750 1 Y Y2 1 4.00103833 4.00103833 4.00103833 1 Y Y3 1 2.00051917 2.00051917 2.00051917 1 [/CIF]
CaScY2
F-43m
216
cubic
-43m
3,407.231932
false
[CIF] data_MgCrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56721960 _cell_length_b 4.56721960 _cell_length_c 2.96468587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrAu _chemical_formula_sum 'Mg1 Cr1 Au1' _cell_volume 53.55661290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.28360982 1.31844272 2.92539907 1 Cr Cr1 1 0.00000002 2.63688545 0.94631193 1 Mg Mg2 1 0.00000000 0.00000000 2.05766074 1 [/CIF]
AuCrMg
P3m1
156
trigonal
3m
8,472.747165
false
[CIF] data_HoCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71858878 _cell_length_b 5.71858878 _cell_length_c 5.71858878 _cell_angle_alpha 56.00873789 _cell_angle_beta 56.00873789 _cell_angle_gamma 56.00873789 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoCrO3 _chemical_formula_sum 'Ho2 Cr2 O6' _cell_volume 120.00969699 _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 Cr Cr0 1 -0.00000000 0.00000000 12.15503056 1 Cr Cr1 1 0.00000000 -0.00000000 2.26034963 1 Ho Ho2 1 -0.00000000 0.00000000 9.13442031 1 Ho Ho3 1 -0.00000000 0.00000000 5.28095988 1 O O4 1 -0.90841269 -1.79678907 8.33453133 1 O O5 1 2.01027132 0.11168607 8.33453133 1 O O6 1 -1.10185863 1.68510300 8.33453133 1 O O7 1 1.10185863 -1.68510300 6.08084886 1 O O8 1 -2.01027132 -0.11168607 6.08084886 1 O O9 1 0.90841269 1.79678907 6.08084886 1 [/CIF]
Cr2Ho2O6
R-3
148
trigonal
-3
7,331.369433
false
[CIF] data_Co2NiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65595487 _cell_length_b 2.65595487 _cell_length_c 6.16423202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.39847061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2NiP _chemical_formula_sum 'Co2 Ni1 P1' _cell_volume 43.44499274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83832662 0.00000000 0.19851817 1 Co Co1 1 0.00000000 0.00000000 4.64589772 1 Ni Ni2 1 1.83832662 0.00000000 2.89126313 1 P P3 1 0.00000000 0.00000000 1.51066902 1 [/CIF]
Co2NiP
Cmm2
35
orthorhombic
mm2
7,932.27364
false
[CIF] data_Zr2CdMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52806659 _cell_length_b 3.52806659 _cell_length_c 6.51944786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2CdMo _chemical_formula_sum 'Zr2 Cd1 Mo1' _cell_volume 81.14922256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.76403329 1.76403329 3.34827381 1 Mo Mo1 1 0.00000000 0.00000000 4.98123747 1 Zr Zr2 1 1.76403329 1.76403329 6.35377285 1 Zr Zr3 1 0.00000000 0.00000000 1.61533559 1 [/CIF]
CdMoZr2
P4mm
99
tetragonal
4mm
7,997.245038
false
[CIF] data_TlRe2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76368743 _cell_length_b 2.76368743 _cell_length_c 9.25692141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRe2Ag _chemical_formula_sum 'Tl1 Re2 Ag1' _cell_volume 70.70407146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38184372 1.38184372 2.17225889 1 Re Re2 1 1.38184372 1.38184372 7.08466252 1 Tl Tl3 1 0.00000000 0.00000000 4.62846071 1 [/CIF]
AgRe2Tl
P4/mmm
123
tetragonal
4/mmm
16,079.891679
false
[CIF] data_HfBePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59202215 _cell_length_b 4.59202215 _cell_length_c 4.59202215 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBePb _chemical_formula_sum 'Hf1 Be1 Pb1' _cell_volume 68.46946340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 3.24705000 3.24705000 3.24705000 1 Pb Pb2 1 1.62352500 1.62352500 1.62352500 1 [/CIF]
BeHfPb
F-43m
216
cubic
-43m
9,572.419008
false
[CIF] data_MnP3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31328820 _cell_length_b 4.31328820 _cell_length_c 4.31328820 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnP3Pt _chemical_formula_sum 'Mn1 P3 Pt1' _cell_volume 80.24637663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 2.15664410 0.00000000 1 P P1 1 0.00000000 0.00000000 2.15664410 1 P P2 1 2.15664410 0.00000000 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 Pt Pt4 1 2.15664410 2.15664410 2.15664410 1 [/CIF]
MnP3Pt
Pm-3m
221
cubic
m-3m
7,096.529746
false
[CIF] data_NbCo2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70711120 _cell_length_b 3.67654095 _cell_length_c 5.39801363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCo2Mo _chemical_formula_sum 'Nb1 Co2 Mo1' _cell_volume 53.72537803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35355560 1.83827047 1.40048927 1 Co Co1 1 1.35355560 1.83827047 3.99752436 1 Mo Mo2 1 0.00000000 0.00000000 2.69900682 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2MoNb
Pmmm
47
orthorhombic
mmm
9,480.468379
false
[CIF] data_Be2SbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79966671 _cell_length_b 4.79966671 _cell_length_c 3.16413693 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2SbBr _chemical_formula_sum 'Be2 Sb1 Br1' _cell_volume 72.89159130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 2.39983336 0.00000000 1.58206847 1 Be Be1 1 0.00000000 2.39983336 1.58206847 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 2.39983336 2.39983336 0.00000000 1 [/CIF]
Be2BrSb
P4/mmm
123
tetragonal
4/mmm
5,004.707737
false
[CIF] data_Hf2TaN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34913446 _cell_length_b 5.34913446 _cell_length_c 3.03304300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TaN3 _chemical_formula_sum 'Hf2 Ta1 N3' _cell_volume 75.15817554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 3.08832422 1.51652150 1 Hf Hf1 1 2.67456723 1.54416211 1.51652150 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 N N3 1 2.67456723 0.00000000 0.00000000 1 N N4 1 -1.33728362 2.31624317 0.00000000 1 N N5 1 1.33728362 2.31624317 0.00000000 1 [/CIF]
Hf2N3Ta
P6/mmm
191
hexagonal
6/mmm
12,813.326228
false
[CIF] data_AlOsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10643812 _cell_length_b 4.10643812 _cell_length_c 4.10643812 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlOsPd _chemical_formula_sum 'Al1 Os1 Pd1' _cell_volume 48.96444656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.45184512 1.45184512 1.45184512 1 Pd Pd2 1 4.35553536 4.35553536 4.35553536 1 [/CIF]
AlOsPd
F-43m
216
cubic
-43m
10,975.367859
false
[CIF] data_AlTlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22005441 _cell_length_b 5.22005441 _cell_length_c 5.22005441 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlHg2 _chemical_formula_sum 'Al1 Tl1 Hg2' _cell_volume 100.57964329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.69113587 3.69113587 3.69113587 1 Hg Hg2 1 5.53670381 5.53670381 5.53670381 1 Tl Tl3 1 1.84556794 1.84556794 1.84556794 1 [/CIF]
AlHg2Tl
F-43m
216
cubic
-43m
10,443.121307
false
[CIF] data_Cu2PbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39687542 _cell_length_b 4.39687542 _cell_length_c 4.33388599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2PbBr _chemical_formula_sum 'Cu2 Pb1 Br1' _cell_volume 83.78490923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 2.19843771 2.16694299 1 Cu Cu2 1 2.19843771 0.00000000 2.16694299 1 Pb Pb3 1 2.19843771 2.19843771 0.00000000 1 [/CIF]
BrCu2Pb
P4/mmm
123
tetragonal
4/mmm
8,208.979941
false
[CIF] data_YTiTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46324203 _cell_length_b 5.46324203 _cell_length_c 3.35351269 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.98761808 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiTl2 _chemical_formula_sum 'Y1 Ti1 Tl2' _cell_volume 96.22089104 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 1.64416628 2.18139190 1.67675634 1 Tl Tl2 1 1.64416628 -2.18139190 1.67675634 1 Y Y3 1 3.28833256 -0.00000000 0.00000000 1 [/CIF]
TiTl2Y
Cmmm
65
orthorhombic
mmm
9,414.68697
false
[CIF] data_YCd2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39524364 _cell_length_b 4.39524364 _cell_length_c 4.40128357 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCd2W _chemical_formula_sum 'Y1 Cd2 W1' _cell_volume 85.02472969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19762182 2.20064179 1 Cd Cd1 1 2.19762182 0.00000000 2.20064179 1 W W2 1 2.19762182 2.19762182 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2WY
P4/mmm
123
tetragonal
4/mmm
9,717.946266
false
[CIF] data_Be2TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63727288 _cell_length_b 4.63727288 _cell_length_c 4.63727288 _cell_angle_alpha 121.11442088 _cell_angle_beta 121.11442088 _cell_angle_gamma 88.08036658 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TlHg _chemical_formula_sum 'Be2 Tl1 Hg1' _cell_volume 69.28362799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27947122 1.66675746 1 Be Be1 1 2.27947122 -0.00000000 1.66675746 1 Hg Hg2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 -0.00000000 -0.00000000 3.33351492 1 [/CIF]
Be2HgTl
I4/mmm
139
tetragonal
4/mmm
10,138.097073
false
[CIF] data_TcSbRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75349719 _cell_length_b 4.75349719 _cell_length_c 4.75349719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcSbRu3 _chemical_formula_sum 'Tc1 Sb1 Ru3' _cell_volume 107.40876537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37674860 2.37674860 2.37674860 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 2.37674860 0.00000000 2.37674860 1 Ru Ru3 1 2.37674860 2.37674860 0.00000000 1 Ru Ru4 1 0.00000000 2.37674860 2.37674860 1 [/CIF]
Ru3SbTc
Pm-3m
221
cubic
m-3m
8,099.123876
false
[CIF] data_BaCuSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64198027 _cell_length_b 5.64198027 _cell_length_c 5.64198027 _cell_angle_alpha 130.43220552 _cell_angle_beta 130.43220552 _cell_angle_gamma 72.71675222 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCuSb _chemical_formula_sum 'Ba1 Cu1 Sb1' _cell_volume 101.66276036 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 9.08711642 1 Cu Cu1 1 0.00000000 0.00000000 5.78828492 1 Sb Sb2 1 -0.00000000 0.00000000 3.29910267 1 [/CIF]
BaCuSb
I4mm
107
tetragonal
4mm
5,269.827699
false
[CIF] data_ZrBi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89813559 _cell_length_b 5.89813559 _cell_length_c 3.37488193 _cell_angle_alpha 100.30691155 _cell_angle_beta 100.30691155 _cell_angle_gamma 113.99271853 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBi2As _chemical_formula_sum 'Zr1 Bi2 As1' _cell_volume 101.30938941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.05204286 2.47319430 1.59380603 1 Bi Bi2 1 1.05204286 -2.47319429 1.59380603 1 Zr Zr3 1 3.21266919 0.00000000 0.00000000 1 [/CIF]
AsBi2Zr
C2/m
12
monoclinic
2/m
9,573.954615
false
[CIF] data_HfMnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22104253 _cell_length_b 4.22104253 _cell_length_c 4.22104253 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnMo _chemical_formula_sum 'Hf1 Mn1 Mo1' _cell_volume 53.17949240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49236390 1.49236390 1.49236390 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.47709170 4.47709170 4.47709170 1 [/CIF]
HfMnMo
F-43m
216
cubic
-43m
10,285.20003
false
[CIF] data_ZnAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32877233 _cell_length_b 4.32877233 _cell_length_c 4.32877233 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAgOs _chemical_formula_sum 'Zn1 Ag1 Os1' _cell_volume 57.35605035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06090427 3.06090427 3.06090427 1 Os Os1 1 4.59135641 4.59135641 4.59135641 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgOsZn
F-43m
216
cubic
-43m
10,523.209797
false
[CIF] data_VCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89032800 _cell_length_b 2.89032800 _cell_length_c 2.89032800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCr _chemical_formula_sum 'V1 Cr1' _cell_volume 24.14578840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44516400 1.44516400 1.44516400 1 V V1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrV
Pm-3m
221
cubic
m-3m
7,079.160282
false
[CIF] data_LaCrMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71416967 _cell_length_b 4.71416967 _cell_length_c 4.71416967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrMoPt _chemical_formula_sum 'La1 Cr1 Mo1 Pt1' _cell_volume 74.07994134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.00013201 5.00013201 5.00013201 1 Mo Mo2 1 1.66671067 1.66671067 1.66671067 1 Pt Pt3 1 3.33342134 3.33342134 3.33342134 1 [/CIF]
CrLaMoPt
F-43m
216
cubic
-43m
10,803.051845
false
[CIF] data_Ga2BiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53136151 _cell_length_b 4.71414297 _cell_length_c 5.00307372 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2BiPd _chemical_formula_sum 'Ga2 Bi1 Pd1' _cell_volume 83.28788446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35707149 2.50153686 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 1.76568075 2.35707149 0.00000000 1 Pd Pd3 1 1.76568075 0.00000000 2.50153686 1 [/CIF]
BiGa2Pd
Pmmm
47
orthorhombic
mmm
9,068.428397
false
[CIF] data_VB2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84238525 _cell_length_b 2.99983766 _cell_length_c 4.83917715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VB2Os _chemical_formula_sum 'V1 B2 Os1' _cell_volume 41.26218432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.42119263 1.49991883 0.85343714 1 B B1 1 1.42119263 1.49991883 3.98574001 1 Os Os2 1 1.42119263 0.00000000 2.41958857 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2OsV
Pmmm
47
orthorhombic
mmm
10,575.978696
false
[CIF] data_Be4ZnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45716170 _cell_length_b 4.45716170 _cell_length_c 4.45716170 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be4ZnP _chemical_formula_sum 'Be4 Zn1 P1' _cell_volume 62.61237404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.93758346 2.36579506 3.93758346 1 Be Be1 1 2.36579506 3.93758346 3.93758346 1 Be Be2 1 2.36579506 2.36579506 2.36579506 1 Be Be3 1 3.93758346 3.93758346 2.36579506 1 P P4 1 0.00000000 0.00000000 0.00000000 1 Zn Zn5 1 4.72753389 4.72753389 4.72753389 1 [/CIF]
Be4PZn
F-43m
216
cubic
-43m
3,511.438602
false
[CIF] data_NaZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13171107 _cell_length_b 4.57406589 _cell_length_c 7.48781219 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZr _chemical_formula_sum 'Na2 Zr2' _cell_volume 107.26030972 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 4.71336594 1 Na Na1 1 1.56585554 2.28703294 2.77444625 1 Zr Zr2 1 0.00000000 0.00000000 0.60836879 1 Zr Zr3 1 1.56585554 2.28703294 6.87944340 1 [/CIF]
Na2Zr2
Pmmn
59
orthorhombic
mmm
3,536.376621
false
[CIF] data_TiZn2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73032801 _cell_length_b 3.73032801 _cell_length_c 4.76585404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZn2Se _chemical_formula_sum 'Ti1 Zn2 Se1' _cell_volume 66.31851301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 1.86516401 1.86516401 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 1.86516401 2.38292702 1 Zn Zn3 1 1.86516401 0.00000000 2.38292702 1 [/CIF]
SeTiZn2
P4/mmm
123
tetragonal
4/mmm
6,449.68135
false
[CIF] data_Hf2ZrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00945831 _cell_length_b 3.00945831 _cell_length_c 9.82378215 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.36725042 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZrW _chemical_formula_sum 'Hf2 Zr1 W1' _cell_volume 82.27846065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67486311 0.00000000 9.79726884 1 Hf Hf1 1 0.00000000 0.00000000 7.13879641 1 W W2 1 1.67486311 0.00000000 4.93307174 1 Zr Zr3 1 0.00000000 0.00000000 2.69031829 1 [/CIF]
Hf2WZr
Cmm2
35
orthorhombic
mm2
12,755.874934
false
[CIF] data_TiHgSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71834746 _cell_length_b 3.71834746 _cell_length_c 6.68739920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiHgSb2 _chemical_formula_sum 'Ti1 Hg1 Sb2' _cell_volume 92.46070246 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 3.34369960 1 Sb Sb1 1 1.85917373 1.85917373 5.23072476 1 Sb Sb2 1 1.85917373 1.85917373 1.45667444 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSb2Ti
P4/mmm
123
tetragonal
4/mmm
8,835.895395
false
[CIF] data_IrRuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11378159 _cell_length_b 3.11378159 _cell_length_c 9.16086925 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrRuPb2 _chemical_formula_sum 'Ir1 Ru1 Pb2' _cell_volume 88.82045178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55689080 1.55689080 6.44453456 1 Pb Pb1 1 0.00000000 0.00000000 8.56613811 1 Pb Pb2 1 1.55689080 1.55689080 2.89834806 1 Ru Ru3 1 0.00000000 0.00000000 4.99315240 1 [/CIF]
IrPb2Ru
P4mm
99
tetragonal
4mm
13,230.57095
false
[CIF] data_Fe2PBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86652351 _cell_length_b 2.86652351 _cell_length_c 6.47603317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2PBr _chemical_formula_sum 'Fe2 P1 Br1' _cell_volume 53.21328630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23801659 1 Fe Fe1 1 1.43326176 1.43326176 5.24915788 1 Fe Fe2 1 1.43326176 1.43326176 1.22687529 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrFe2P
P4/mmm
123
tetragonal
4/mmm
6,945.30654
false
[CIF] data_Li2ScBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93314056 _cell_length_b 4.93314056 _cell_length_c 4.93314056 _cell_angle_alpha 132.26359645 _cell_angle_beta 132.26359645 _cell_angle_gamma 69.81302222 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ScBe _chemical_formula_sum 'Li2 Sc1 Be1' _cell_volume 64.47856002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.99611703 -0.00000000 2.02280186 1 Li Li2 1 -0.00000000 1.99611703 2.02280186 1 Sc Sc3 1 0.00000000 -0.00000000 4.04560371 1 [/CIF]
BeLi2Sc
I4/mmm
139
tetragonal
4/mmm
1,747.367369
false
[CIF] data_InPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04043921 _cell_length_b 4.04043921 _cell_length_c 4.04043921 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPd3 _chemical_formula_sum 'In1 Pd3' _cell_volume 65.96077217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 2.02021960 2.02021960 1 Pd Pd2 1 2.02021960 0.00000000 2.02021960 1 Pd Pd3 1 2.02021960 2.02021960 0.00000000 1 [/CIF]
InPd3
Pm-3m
221
cubic
m-3m
10,927.759838
false
[CIF] data_ScMn2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31060995 _cell_length_b 4.31060995 _cell_length_c 4.31060995 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMn2Fe _chemical_formula_sum 'Sc1 Mn2 Fe1' _cell_volume 56.63712305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04806153 3.04806153 3.04806153 1 Mn Mn1 1 4.57209230 4.57209230 4.57209230 1 Mn Mn2 1 1.52403077 1.52403077 1.52403077 1 Sc Sc3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
FeMn2Sc
Fm-3m
225
cubic
m-3m
6,176.821375
false
[CIF] data_AlBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60742018 _cell_length_b 4.60742018 _cell_length_c 4.60742018 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBiMo _chemical_formula_sum 'Al1 Bi1 Mo1' _cell_volume 69.16055367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 3.25793805 3.25793805 3.25793805 1 Mo Mo2 1 1.62896902 1.62896902 1.62896902 1 [/CIF]
AlBiMo
F-43m
216
cubic
-43m
7,969.417781
false
[CIF] data_KReHgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76503790 _cell_length_b 4.76503790 _cell_length_c 4.76503790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KReHgRh _chemical_formula_sum 'K1 Re1 Hg1 Rh1' _cell_volume 76.50398882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68469531 1.68469531 1.68469530 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 5.05408592 5.05408592 5.05408592 1 Rh Rh3 1 3.36939061 3.36939061 3.36939061 1 [/CIF]
HgKReRh
F-43m
216
cubic
-43m
11,477.759531
false
[CIF] data_MnTlTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85219425 _cell_length_b 2.85219425 _cell_length_c 7.67035862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlTc2 _chemical_formula_sum 'Mn1 Tl1 Tc2' _cell_volume 62.39845972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 1.42609713 1.42609713 1.57360928 1 Tc Tc2 1 1.42609713 1.42609713 6.09674934 1 Tl Tl3 1 0.00000000 0.00000000 3.83517931 1 [/CIF]
MnTc2Tl
P4/mmm
123
tetragonal
4/mmm
12,165.179166
false
[CIF] data_Ni3BrO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38076732 _cell_length_b 4.38076732 _cell_length_c 4.38076732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3BrO _chemical_formula_sum 'Ni3 Br1 O1' _cell_volume 84.07184146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 2.19038366 0.00000000 2.19038366 1 Ni Ni1 1 2.19038366 2.19038366 0.00000000 1 Ni Ni2 1 0.00000000 2.19038366 2.19038366 1 O O3 1 0.00000000 0.00000000 0.00000000 1 Br Br4 1 2.19038366 2.19038366 2.19038366 1 [/CIF]
BrNi3O
Pm-3m
221
cubic
m-3m
5,372.064956
false
[CIF] data_CoGeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81219758 _cell_length_b 4.35270146 _cell_length_c 4.55707219 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoGeOs2 _chemical_formula_sum 'Co1 Ge1 Os2' _cell_volume 55.78155538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40609879 0.00000000 2.27853610 1 Os Os2 1 1.40609879 2.17635073 0.00000000 1 Os Os3 1 0.00000000 2.17635073 2.27853610 1 [/CIF]
CoGeOs2
Pmmm
47
orthorhombic
mmm
15,242.513729
false
[CIF] data_La12Be17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42521274 _cell_length_b 9.42521274 _cell_length_c 9.42521274 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural La12Be17 _chemical_formula_sum 'La12 Be17' _cell_volume 644.54255077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58809441 6.47303289 1.58809441 1 Be Be1 1 3.85355470 1.03138378 3.85355470 1 Be Be2 1 1.58809441 4.41026533 -1.58809441 1 Be Be3 1 -1.58809441 4.41026533 1.58809441 1 Be Be4 1 1.58809441 -1.58809441 4.41026533 1 Be Be5 1 -1.58809441 1.58809441 4.41026533 1 Be Be6 1 3.85355470 3.85355470 1.03138378 1 Be Be7 1 1.58809441 1.58809441 6.47303289 1 Be Be8 1 4.41026533 -1.58809441 1.58809441 1 Be Be9 1 4.41026533 1.58809441 -1.58809441 1 Be Be10 1 6.47303289 1.58809441 1.58809441 1 Be Be11 1 1.03138378 3.85355470 3.85355470 1 Be Be12 1 2.19262963 -2.19262963 2.19262963 1 Be Be13 1 3.24901948 3.24901948 3.24901948 1 Be Be14 1 2.19262963 2.19262963 -2.19262963 1 Be Be15 1 -2.19262963 2.19262963 2.19262963 1 Be Be16 1 0.00000000 0.00000000 0.00000000 1 La La17 1 4.37814774 -1.89588453 4.37814774 1 La La18 1 1.06350137 3.54576458 1.06350137 1 La La19 1 -1.06350137 7.33753364 1.06350137 1 La La20 1 1.06350137 7.33753364 -1.06350137 1 La La21 1 -1.06350137 1.06350137 7.33753364 1 La La22 1 1.06350137 -1.06350137 7.33753364 1 La La23 1 1.06350137 1.06350137 3.54576458 1 La La24 1 4.37814774 4.37814774 -1.89588453 1 La La25 1 7.33753364 1.06350137 -1.06350137 1 La La26 1 7.33753364 -1.06350137 1.06350137 1 La La27 1 -1.89588453 4.37814774 4.37814774 1 La La28 1 3.54576458 1.06350137 1.06350137 1 [/CIF]
Be17La12
I-43m
217
cubic
-43m
4,689.064943
false
[CIF] data_BaSbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31350578 _cell_length_b 5.31350578 _cell_length_c 5.31350578 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSbPt _chemical_formula_sum 'Ba1 Sb1 Pt1' _cell_volume 106.07876980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.63582396 5.63582396 5.63582396 1 Pt Pt1 1 3.75721597 3.75721597 3.75721597 1 Sb Sb2 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
BaPtSb
F-43m
216
cubic
-43m
7,109.515786
false
[CIF] data_BaInNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23138685 _cell_length_b 5.23138685 _cell_length_c 5.23138685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaInNiAu _chemical_formula_sum 'Ba1 In1 Ni1 Au1' _cell_volume 101.23612479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.54872368 5.54872368 5.54872368 1 Ba Ba1 1 3.69914912 3.69914912 3.69914912 1 In In2 1 1.84957456 1.84957456 1.84957456 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBaInNi
F-43m
216
cubic
-43m
8,329.33887
false
[CIF] data_Ca2AlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34727729 _cell_length_b 5.34727729 _cell_length_c 3.74283785 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2AlHg _chemical_formula_sum 'Ca2 Al1 Hg1' _cell_volume 107.02036402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 0.00000000 2.67363865 1.87141892 1 Ca Ca2 1 2.67363865 0.00000000 1.87141892 1 Hg Hg3 1 2.67363865 2.67363865 0.00000000 1 [/CIF]
AlCa2Hg
P4/mmm
123
tetragonal
4/mmm
4,774.732401
false
[CIF] data_RbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91382100 _cell_length_b 3.91382100 _cell_length_c 3.91382100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbCl _chemical_formula_sum 'Rb1 Cl1' _cell_volume 59.95188980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rb Rb1 1 1.95691050 1.95691050 1.95691050 1 [/CIF]
ClRb
Pm-3m
221
cubic
m-3m
3,349.247422
false
[CIF] data_SeBrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38354734 _cell_length_b 4.38354734 _cell_length_c 5.21074381 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SeBrCl _chemical_formula_sum 'Se1 Br1 Cl1' _cell_volume 86.71250933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.19177369 1.26542110 4.62896239 1 Cl Cl1 1 0.00000000 0.00000000 2.23056138 1 Se Se2 1 0.00000002 2.53084222 3.56196390 1 [/CIF]
BrClSe
P3m1
156
trigonal
3m
3,721.158251
false
[CIF] data_OsRh2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79281682 _cell_length_b 4.79281682 _cell_length_c 4.79281682 _cell_angle_alpha 132.71055088 _cell_angle_beta 132.71055088 _cell_angle_gamma 69.10907778 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsRh2W _chemical_formula_sum 'Os1 Rh2 W1' _cell_volume 58.34042864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 -0.00000000 0.00000000 3.94730001 1 Rh Rh1 1 -0.00000000 1.92222732 1.97365001 1 Rh Rh2 1 1.92222731 0.00000000 1.97365000 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsRh2W
I4/mmm
139
tetragonal
4/mmm
16,505.184123
false
[CIF] data_BaY2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68839783 _cell_length_b 4.29752827 _cell_length_c 8.94662994 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Pb _chemical_formula_sum 'Ba1 Y2 Pb1' _cell_volume 141.81297701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 4.47331497 1 Y Y2 1 1.84419892 2.14876413 6.20851653 1 Y Y3 1 1.84419892 2.14876413 2.73811341 1 [/CIF]
BaPbY2
Pmmm
47
orthorhombic
mmm
6,116.251387
false
[CIF] data_YbBiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87882324 _cell_length_b 4.87882324 _cell_length_c 4.87882324 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbBiPd2 _chemical_formula_sum 'Yb1 Bi1 Pd2' _cell_volume 82.11646681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Yb Yb0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 3.44984900 3.44984900 3.44984900 1 Pd Pd2 1 1.72492450 1.72492450 1.72492450 1 Pd Pd3 1 5.17477350 5.17477350 5.17477350 1 [/CIF]
BiPd2Yb
Fm-3m
225
cubic
m-3m
12,029.404324
false
[CIF] data_YTa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26766416 _cell_length_b 4.53169256 _cell_length_c 4.96702241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTa2Fe _chemical_formula_sum 'Y1 Ta2 Fe1' _cell_volume 73.55191303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 2.26584628 2.48351121 1 Ta Ta2 1 1.63383208 0.00000000 2.48351121 1 Y Y3 1 1.63383208 2.26584628 0.00000000 1 [/CIF]
FeTa2Y
Pmmm
47
orthorhombic
mmm
11,438.267941
false
[CIF] data_FeNCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41366725 _cell_length_b 4.41366725 _cell_length_c 4.41366725 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNCl3 _chemical_formula_sum 'Fe1 N1 Cl3' _cell_volume 85.98026211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N N0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 2.20683362 2.20683362 2.20683362 1 Cl Cl2 1 0.00000000 2.20683362 0.00000000 1 Cl Cl3 1 0.00000000 0.00000000 2.20683362 1 Cl Cl4 1 2.20683362 0.00000000 0.00000000 1 [/CIF]
Cl3FeN
Pm-3m
221
cubic
m-3m
3,403.16189
false
[CIF] data_Be2CuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76241663 _cell_length_b 2.76241663 _cell_length_c 5.48802646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2CuRu _chemical_formula_sum 'Be2 Cu1 Ru1' _cell_volume 41.87883157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.11323522 1 Be Be1 1 1.38120832 1.38120832 1.27358155 1 Cu Cu2 1 0.00000000 0.00000000 2.53249026 1 Ru Ru3 1 1.38120832 1.38120832 4.31273272 1 [/CIF]
Be2CuRu
P4mm
99
tetragonal
4mm
7,242.053763
false
[CIF] data_CaPd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32288178 _cell_length_b 5.32288178 _cell_length_c 5.32288178 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPd5 _chemical_formula_sum 'Ca1 Pd5' _cell_volume 106.64130807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 4.70279630 4.70279630 2.82489530 1 Pd Pd2 1 5.64576870 5.64576870 5.64576870 1 Pd Pd3 1 2.82489530 4.70279630 4.70279630 1 Pd Pd4 1 2.82489530 2.82489530 2.82489530 1 Pd Pd5 1 4.70279630 2.82489530 4.70279630 1 [/CIF]
CaPd5
F-43m
216
cubic
-43m
8,909.529893
false
[CIF] data_LaBeReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80586149 _cell_length_b 4.80586149 _cell_length_c 4.80586149 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeReSn _chemical_formula_sum 'La1 Be1 Re1 Sn1' _cell_volume 78.48718481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 5.09738587 5.09738588 5.09738588 1 Re Re2 1 3.39825725 3.39825725 3.39825725 1 Sn Sn3 1 1.69912862 1.69912862 1.69912862 1 [/CIF]
BeLaReSn
F-43m
216
cubic
-43m
9,580.540214
false
[CIF] data_Sn5Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75772953 _cell_length_b 5.75772953 _cell_length_c 5.55409170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn5Se _chemical_formula_sum 'Sn5 Se1' _cell_volume 159.45795753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.87453718 0.00000000 2.77704585 1 Sn Sn2 1 0.94159617 1.63089241 2.77704585 1 Sn Sn3 1 -1.93726859 3.35544763 2.77704585 1 Sn Sn4 1 2.87886476 1.66211335 0.00000000 1 Sn Sn5 1 0.00000000 3.32422669 0.00000000 1 [/CIF]
SeSn5
P-62m
189
hexagonal
-6m2
7,003.282532
false
[CIF] data_MgCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01870719 _cell_length_b 3.01870719 _cell_length_c 7.10352534 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCr _chemical_formula_sum 'Mg2 Cr2' _cell_volume 64.73153599 _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 Cr Cr0 1 1.50935360 0.00000000 0.47834280 1 Cr Cr1 1 0.00000000 1.50935360 6.62518254 1 Mg Mg2 1 1.50935360 0.00000000 4.71420693 1 Mg Mg3 1 0.00000000 1.50935360 2.38931841 1 [/CIF]
Cr2Mg2
P4/nmm
129
tetragonal
4/mmm
3,914.659383
false
[CIF] data_CaYBeAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05392308 _cell_length_b 5.05392308 _cell_length_c 5.05392308 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYBeAl _chemical_formula_sum 'Ca1 Y1 Be1 Al1' _cell_volume 91.27900237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.57366328 3.57366328 3.57366328 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 1.78683164 1.78683164 1.78683164 1 Y Y3 1 5.36049492 5.36049492 5.36049492 1 [/CIF]
AlBeCaY
F-43m
216
cubic
-43m
3,001.256521
false
[CIF] data_Y3ZnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16606947 _cell_length_b 5.16606947 _cell_length_c 5.16606947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3ZnCr _chemical_formula_sum 'Y3 Zn1 Cr1' _cell_volume 137.87347632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.58303474 0.00000000 1 Y Y1 1 0.00000000 0.00000000 2.58303474 1 Y Y2 1 2.58303474 0.00000000 0.00000000 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 Zn Zn4 1 2.58303474 2.58303474 2.58303474 1 [/CIF]
CrY3Zn
Pm-3m
221
cubic
m-3m
4,625.998619
false
[CIF] data_Al2MoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44785242 _cell_length_b 4.44785242 _cell_length_c 4.44785242 _cell_angle_alpha 121.33402779 _cell_angle_beta 121.33402779 _cell_angle_gamma 87.70452032 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2MoW _chemical_formula_sum 'Al2 Mo1 W1' _cell_volume 60.91315714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 2.17893367 -0.00000000 1.60373683 1 Mo Mo2 1 0.00000000 0.00000000 3.20747366 1 W W3 1 -0.00000000 2.17893367 1.60373683 1 [/CIF]
Al2MoW
I-4m2
119
tetragonal
-42m
9,098.635741
false
[CIF] data_HfNi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65004006 _cell_length_b 4.65004006 _cell_length_c 4.61810895 _cell_angle_alpha 102.68646406 _cell_angle_beta 102.68646406 _cell_angle_gamma 42.71642154 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNi2Sb _chemical_formula_sum 'Hf1 Ni2 Sb1' _cell_volume 65.82953884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.18939019 -0.00000000 0.85322442 1 Ni Ni1 1 7.56319912 -0.00000000 4.46029801 1 Ni Ni2 1 1.37497148 -0.00000000 3.39176677 1 Sb Sb3 1 3.80335504 -0.00000000 2.51439471 1 [/CIF]
HfNi2Sb
Cm
8
monoclinic
m
10,534.818173
false
[CIF] data_Mn2HgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85170009 _cell_length_b 4.22324848 _cell_length_c 4.78205022 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2HgTe _chemical_formula_sum 'Mn2 Hg1 Te1' _cell_volume 77.78811200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92585005 2.11162424 0.00000000 1 Mn Mn1 1 0.00000000 2.11162424 2.39102511 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 1.92585005 0.00000000 2.39102511 1 [/CIF]
HgMn2Te
Pmmm
47
orthorhombic
mmm
9,351.375647
false
[CIF] data_LiCd4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90820687 _cell_length_b 5.90820687 _cell_length_c 5.90820687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCd4Pb _chemical_formula_sum 'Li1 Cd4 Pb1' _cell_volume 145.83174795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.22759881 3.12786747 3.12786747 1 Cd Cd1 1 3.12786747 3.12786747 5.22759881 1 Cd Cd2 1 3.12786747 5.22759881 3.12786747 1 Cd Cd3 1 5.22759881 5.22759881 5.22759881 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 Pb Pb5 1 2.08886657 2.08886657 2.08886657 1 [/CIF]
Cd4LiPb
F-43m
216
cubic
-43m
7,558.305649
false
[CIF] data_KGaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10122397 _cell_length_b 5.10122397 _cell_length_c 5.10122397 _cell_angle_alpha 132.55519339 _cell_angle_beta 132.55519339 _cell_angle_gamma 69.35356012 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGaRu2 _chemical_formula_sum 'K1 Ga1 Ru2' _cell_volume 70.67493913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.19511744 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 2.05225189 -0.00000000 2.09755872 1 Ru Ru3 1 0.00000000 2.05225189 2.09755872 1 [/CIF]
GaKRu2
I4/mmm
139
tetragonal
4/mmm
7,306.173776
false
[CIF] data_TcMoIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44052236 _cell_length_b 4.44052236 _cell_length_c 4.44052236 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoIrW _chemical_formula_sum 'Tc1 Mo1 Ir1 W1' _cell_volume 61.91376078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.13992347 3.13992347 3.13992347 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.70988521 4.70988521 4.70988521 1 W W3 1 1.56996174 1.56996174 1.56996174 1 [/CIF]
IrMoTcW
F-43m
216
cubic
-43m
15,312.270902
false
[CIF] data_NaLi2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14601641 _cell_length_b 5.14601641 _cell_length_c 5.69217249 _cell_angle_alpha 121.87519865 _cell_angle_beta 121.87519865 _cell_angle_gamma 33.43827187 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi2B _chemical_formula_sum 'Na1 Li2 B1' _cell_volume 69.29481032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.14986890 -0.00000000 4.57888557 1 Li Li1 1 6.43954114 0.00000000 4.09643683 1 Li Li2 1 6.55562566 -0.00000000 0.79984249 1 Na Na3 1 3.95071382 0.00000000 2.39663653 1 [/CIF]
BLi2Na
Cm
8
monoclinic
m
1,142.641142
false
[CIF] data_MgZnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27777532 _cell_length_b 6.27777532 _cell_length_c 6.27777532 _cell_angle_alpha 154.62150013 _cell_angle_beta 154.62150013 _cell_angle_gamma 36.19688964 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnFe _chemical_formula_sum 'Mg1 Zn1 Fe1' _cell_volume 45.38945201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.85941859 1 Mg Mg1 1 0.00000000 0.00000000 7.87073147 1 Zn Zn2 1 0.00000000 -0.00000000 4.13855850 1 [/CIF]
FeMgZn
I4mm
107
tetragonal
4mm
5,324.879188
false
[CIF] data_BaTlZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50479760 _cell_length_b 5.00577759 _cell_length_c 5.22033097 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlZn2 _chemical_formula_sum 'Ba1 Tl1 Zn2' _cell_volume 117.71854102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.25239880 0.00000000 2.61016549 1 Tl Tl1 1 2.25239880 2.50288880 0.00000000 1 Zn Zn2 1 0.00000000 2.50288880 2.61016549 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaTlZn2
Pmmm
47
orthorhombic
mmm
6,664.671378
false
[CIF] data_NbGaPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95271694 _cell_length_b 4.95271694 _cell_length_c 4.95271694 _cell_angle_alpha 133.10950468 _cell_angle_beta 133.10950468 _cell_angle_gamma 68.48222967 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaPt2 _chemical_formula_sum 'Nb1 Ga1 Pt2' _cell_volume 63.59373050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 0.00000000 4.09429726 1 Pt Pt2 1 0.00000000 1.97055005 2.04714863 1 Pt Pt3 1 1.97055005 0.00000000 2.04714863 1 [/CIF]
GaNbPt2
I4/mmm
139
tetragonal
4/mmm
14,434.467647
false
[CIF] data_CrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37766580 _cell_length_b 6.37766580 _cell_length_c 3.82287208 _cell_angle_alpha 91.01223629 _cell_angle_beta 91.01223629 _cell_angle_gamma 37.43493179 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrBr _chemical_formula_sum 'Cr2 Br2' _cell_volume 94.50207187 _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 Br Br0 1 10.37029210 -0.00000000 2.87779264 1 Br Br1 1 1.63913608 -0.00000000 0.94441438 1 Cr Cr2 1 7.35743808 -0.00000000 2.85080996 1 Cr Cr3 1 4.65199010 -0.00000000 0.97139706 1 [/CIF]
Br2Cr2
C2/m
12
monoclinic
2/m
4,635.353799
false
[CIF] data_Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64951412 _cell_length_b 2.64951412 _cell_length_c 4.99036891 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn _chemical_formula_sum Zn2 _cell_volume 30.33861570 _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 Zn Zn0 1 -0.00000000 1.52969769 1.24759223 1 Zn Zn1 1 1.32475706 0.76484885 3.74277668 1 [/CIF]
Zn2
P6_3/mmc
194
hexagonal
6/mmm
7,156.954371
false
[CIF] data_BaHfNiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19421922 _cell_length_b 5.19421922 _cell_length_c 5.19421922 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfNiHg _chemical_formula_sum 'Ba1 Hf1 Ni1 Hg1' _cell_volume 99.09365005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83643382 1.83643382 1.83643382 1 Hf Hf1 1 5.50930145 5.50930145 5.50930145 1 Hg Hg2 1 3.67286763 3.67286763 3.67286763 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHfHgNi
F-43m
216
cubic
-43m
9,637.112781
false
[CIF] data_Mg2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37106562 _cell_length_b 3.37106562 _cell_length_c 7.22755473 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2HgGe _chemical_formula_sum 'Mg2 Hg1 Ge1' _cell_volume 82.13453483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 3.61377737 1 Mg Mg2 1 1.68553281 1.68553281 5.50084196 1 Mg Mg3 1 1.68553281 1.68553281 1.72671277 1 [/CIF]
GeHgMg2
P4/mmm
123
tetragonal
4/mmm
6,506.73793
false
[CIF] data_YHfP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32459206 _cell_length_b 3.32459206 _cell_length_c 6.78216646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfP2 _chemical_formula_sum 'Y1 Hf1 P2' _cell_volume 74.96269153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 3.39108323 1 P P1 1 1.66229603 1.66229603 4.91419762 1 P P2 1 1.66229603 1.66229603 1.86796884 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfP2Y
P4/mmm
123
tetragonal
4/mmm
7,295.462952
false
[CIF] data_TaMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75679066 _cell_length_b 4.75679066 _cell_length_c 2.59563841 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMo2 _chemical_formula_sum 'Ta1 Mo2' _cell_volume 50.86310890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37839533 1.37316718 1.29781920 1 Mo Mo1 1 -0.00000000 2.74633437 1.29781920 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2Ta
P6/mmm
191
hexagonal
6/mmm
12,173.099422
false
[CIF] data_ZrCr2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52685817 _cell_length_b 3.52685817 _cell_length_c 4.14255742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCr2B _chemical_formula_sum 'Zr1 Cr2 B1' _cell_volume 51.52814726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 0.00000000 1.76342909 2.07127871 1 Cr Cr2 1 1.76342909 0.00000000 2.07127871 1 Zr Zr3 1 1.76342909 1.76342909 0.00000000 1 [/CIF]
BCr2Zr
P4/mmm
123
tetragonal
4/mmm
6,639.404531
false
[CIF] data_AlHg2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29100954 _cell_length_b 5.29100954 _cell_length_c 5.29100954 _cell_angle_alpha 135.55381818 _cell_angle_beta 135.55381818 _cell_angle_gamma 64.67089875 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHg2Rh _chemical_formula_sum 'Al1 Hg2 Rh1' _cell_volume 71.60970090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.00113332 -0.00000000 2.23526916 1 Hg Hg2 1 -0.00000000 2.00113332 2.23526916 1 Rh Rh3 1 0.00000000 -0.00000000 4.47053832 1 [/CIF]
AlHg2Rh
I4/mmm
139
tetragonal
4/mmm
12,314.777936
false
[CIF] data_TiOF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94721400 _cell_length_b 3.94721400 _cell_length_c 3.69838400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiOF2 _chemical_formula_sum 'Ti1 O1 F2' _cell_volume 57.62266585 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 1.84919200 1 O O1 1 0.00000000 0.00000000 0.00000000 1 F F2 1 1.97360700 0.00000000 1.84919200 1 F F3 1 0.00000000 1.97360700 1.84919200 1 [/CIF]
F2OTi
P4/mmm
123
tetragonal
4/mmm
2,935.439226
false
[CIF] data_HfTcGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31612863 _cell_length_b 4.31612863 _cell_length_c 4.31612863 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTcGe _chemical_formula_sum 'Hf1 Tc1 Ge1' _cell_volume 56.85493120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 4.57794573 4.57794573 4.57794573 1 Tc Tc2 1 1.52598191 1.52598191 1.52598191 1 [/CIF]
GeHfTc
F-43m
216
cubic
-43m
10,223.36625
false
[CIF] data_La2MgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10016692 _cell_length_b 5.10016692 _cell_length_c 4.56972495 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MgHg _chemical_formula_sum 'La2 Mg1 Hg1' _cell_volume 118.86632665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55008346 2.55008346 0.00000000 1 La La1 1 2.55008346 0.00000000 2.28486248 1 La La2 1 0.00000000 2.55008346 2.28486248 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgLa2Mg
P4/mmm
123
tetragonal
4/mmm
7,022.706814
false
[CIF] data_MnPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64427300 _cell_length_b 5.92863400 _cell_length_c 4.77654400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPO4 _chemical_formula_sum 'Mn4 P4 O16' _cell_volume 273.11019883 _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 Mn Mn0 1 6.92107977 4.44647550 2.75259293 1 Mn Mn1 1 2.09894327 4.44647550 4.41222307 1 Mn Mn2 1 7.54532973 1.48215850 0.36432093 1 Mn Mn3 1 2.72319323 1.48215850 2.02395107 1 O O4 1 4.22431970 1.48215850 3.17291300 1 O O5 1 3.71240969 4.44647550 3.41868300 1 O O6 1 1.60625960 0.27624722 3.57994299 1 O O7 1 1.60625960 2.68806978 3.57994299 1 O O8 1 6.42839610 0.27624722 3.58487301 1 O O9 1 6.42839610 2.68806978 3.58487301 1 O O10 1 8.53454619 4.44647550 3.74613300 1 O O11 1 9.04645620 1.48215850 3.99190300 1 O O12 1 0.59781680 4.44647550 0.78464100 1 O O13 1 1.10972681 1.48215850 1.03041100 1 O O14 1 3.21587690 3.24056422 1.19167099 1 O O15 1 3.21587690 5.65238678 1.19167099 1 O O16 1 8.03801340 3.24056422 1.19660101 1 O O17 1 8.03801340 5.65238678 1.19660101 1 O O18 1 5.93186331 1.48215850 1.35786100 1 O O19 1 5.41995330 4.44647550 1.60363100 1 P P20 1 5.73353973 1.48215850 2.88265297 1 P P21 1 0.91140323 1.48215850 4.28216303 1 P P22 1 8.73286977 4.44647550 0.49438097 1 P P23 1 3.91073327 4.44647550 1.89389103 1 [/CIF]
Mn4O16P4
Pnma
62
orthorhombic
mmm
3,645.860577
false
[CIF] data_MnCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65807075 _cell_length_b 4.65807075 _cell_length_c 4.27835421 _cell_angle_alpha 102.54258413 _cell_angle_beta 102.54258413 _cell_angle_gamma 32.75731811 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCu2Si _chemical_formula_sum 'Mn1 Cu2 Si1' _cell_volume 48.92505323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.41284500 -0.00000000 1.03239068 1 Cu Cu1 1 1.55683039 -0.00000000 3.13492258 1 Mn Mn2 1 3.98483770 -0.00000000 2.08365663 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2MnSi
C2/m
12
monoclinic
2/m
7,131.419343
false
[CIF] data_HfSeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50110849 _cell_length_b 7.50110849 _cell_length_c 7.50110849 _cell_angle_alpha 155.37981055 _cell_angle_beta 142.43651424 _cell_angle_gamma 45.43100131 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSeCl2 _chemical_formula_sum 'Hf1 Se1 Cl2' _cell_volume 106.89839198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59925527 -0.00000000 4.89634698 1 Cl Cl1 1 -0.00000000 2.41508713 2.02292793 1 Hf Hf2 1 -0.00000000 0.00000000 6.91927491 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2HfSe
Immm
71
orthorhombic
mmm
5,100.618995
false
[CIF] data_FeTcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66829522 _cell_length_b 2.66829522 _cell_length_c 6.40981345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTcRu _chemical_formula_sum 'Fe1 Tc1 Ru1' _cell_volume 39.52244279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00044189 1 Ru Ru1 1 1.33414761 0.77027048 2.07384418 1 Tc Tc2 1 0.00000000 1.54054097 4.34129659 1 [/CIF]
FeRuTc
P3m1
156
trigonal
3m
10,748.351242
false
[CIF] data_Co2(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57653938 _cell_length_b 8.57653938 _cell_length_c 8.57653938 _cell_angle_alpha 60.15935926 _cell_angle_beta 60.15935926 _cell_angle_gamma 60.15935926 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2(SO4)3 _chemical_formula_sum 'Co4 S6 O24' _cell_volume 447.69886348 _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 Co Co0 1 -0.00000000 0.00000000 7.55706335 1 Co Co1 1 -0.00000000 0.00000000 2.93434084 1 Co Co2 1 -0.00000000 0.00000000 13.42574502 1 Co Co3 1 -0.00000000 0.00000000 18.04846753 1 S S4 1 3.04871815 -0.31694506 8.74283682 1 S S5 1 1.79884155 2.48179484 12.23997155 1 S S6 1 1.24987661 -2.79873990 12.23997155 1 S S7 1 -1.24987661 2.79873990 8.74283682 1 S S8 1 -1.79884155 -2.48179484 8.74283682 1 S S9 1 -3.04871815 0.31694506 12.23997155 1 O O10 1 3.66484863 1.03307937 8.71280343 1 O O11 1 2.72709729 -2.65731233 12.27000494 1 O O12 1 1.68011436 -0.02932985 14.51050725 1 O O13 1 -2.61848040 -2.45246499 9.96943584 1 O O14 1 1.57149747 -0.17551749 8.77287021 1 O O15 1 0.93775134 1.27319798 12.20993816 1 O O16 1 0.93775134 3.69039170 12.27000494 1 O O17 1 -3.43313718 1.04143805 11.01337253 1 O O18 1 0.86545758 1.44035679 6.47230112 1 O O19 1 0.81465678 -1.46968664 6.47230112 1 O O20 1 0.81465678 -3.49390304 11.01337253 1 O O21 1 0.63374612 -1.44871547 12.20993816 1 O O22 1 -0.63374612 1.44871547 8.77287021 1 O O23 1 -0.81465678 1.46968664 14.51050725 1 O O24 1 -0.81465678 3.49390304 9.96943584 1 O O25 1 3.43313718 -1.04143805 9.96943584 1 O O26 1 -0.86545758 -1.44035679 14.51050725 1 O O27 1 -0.93775134 -3.69039170 8.71280343 1 O O28 1 -0.93775134 -1.27319798 8.77287021 1 O O29 1 -1.57149747 0.17551749 12.20993816 1 O O30 1 -1.68011436 0.02932985 6.47230112 1 O O31 1 2.61848040 2.45246499 11.01337253 1 O O32 1 -2.72709729 2.65731233 8.71280343 1 O O33 1 -3.66484863 -1.03307937 12.27000494 1 [/CIF]
Co4O24S6
R-3c
167
trigonal
-3m
3,012.153597
false
[CIF] data_KCoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70865117 _cell_length_b 4.70865117 _cell_length_c 4.70865117 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCoAs2 _chemical_formula_sum 'K1 Co1 As2' _cell_volume 73.82008736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.99427875 4.99427875 4.99427875 1 As As1 1 1.66475959 1.66475959 1.66475959 1 Co Co2 1 3.32951917 3.32951917 3.32951917 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CoK
Fm-3m
225
cubic
m-3m
5,575.794196
false
[CIF] data_KTcB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88970272 _cell_length_b 2.88970272 _cell_length_c 8.04076770 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTcB2 _chemical_formula_sum 'K1 Tc1 B2' _cell_volume 67.14348034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.44485136 1.44485136 6.16773720 1 B B1 1 1.44485136 1.44485136 1.87303050 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 4.02038385 1 [/CIF]
B2KTc
P4/mmm
123
tetragonal
4/mmm
3,947.755433
false
[CIF] data_TaSnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00319761 _cell_length_b 4.52606698 _cell_length_c 5.13866636 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.77023236 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSnIr2 _chemical_formula_sum 'Ta1 Sn1 Ir2' _cell_volume 68.37955096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84739202 0.00000000 0.22514738 1 Ir Ir1 1 1.67763500 2.26303349 3.51049064 1 Sn Sn2 1 0.18375217 0.00000000 2.87502828 1 Ta Ta3 1 1.22687956 2.26303349 0.93526104 1 [/CIF]
Ir2SnTa
Pm
6
monoclinic
m
16,612.587769
false
[CIF] data_TiCrP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16561879 _cell_length_b 3.16561879 _cell_length_c 5.22541318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrP2 _chemical_formula_sum 'Ti1 Cr1 P2' _cell_volume 52.36460918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58280939 1.58280939 4.16402490 1 P P1 1 0.00000000 0.00000000 5.03592721 1 P P2 1 1.58280939 1.58280939 1.44322432 1 Ti Ti3 1 0.00000000 0.00000000 2.42035652 1 [/CIF]
CrP2Ti
P4mm
99
tetragonal
4mm
5,131.191978
false
[CIF] data_BaCu4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23687050 _cell_length_b 5.23687050 _cell_length_c 5.23687050 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCu4W _chemical_formula_sum 'Ba1 Cu4 W1' _cell_volume 101.55481163 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 4.60705680 4.60705680 2.79899648 1 Cu Cu2 1 4.60705680 2.79899648 4.60705680 1 Cu Cu3 1 2.79899648 4.60705680 4.60705680 1 Cu Cu4 1 2.79899648 2.79899648 2.79899648 1 W W5 1 5.55453996 5.55453996 5.55453996 1 [/CIF]
BaCu4W
F-43m
216
cubic
-43m
9,407.656783
false