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_SiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19919273 _cell_length_b 8.19919273 _cell_length_c 8.19919273 _cell_angle_alpha 27.74235429 _cell_angle_beta 27.74235429 _cell_angle_gamma 27.74235429 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBr _chemical_formula_sum 'Si2 Br2' _cell_volume 105.45589093 _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 0.00000000 -0.00000000 2.18326121 1 Br Br1 1 -0.00000000 -0.00000000 21.45303419 1 Si Si2 1 -0.00000000 -0.00000000 7.58862141 1 Si Si3 1 -0.00000000 -0.00000000 16.04767399 1 [/CIF]
Br6Si6
R-3m
166
trigonal
-3m
3,400.86802
false
[CIF] data_ZrNi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87649615 _cell_length_b 4.06387757 _cell_length_c 4.17171459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi2Te _chemical_formula_sum 'Zr1 Ni2 Te1' _cell_volume 65.71954697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 0.00000000 2.03193878 2.08585729 1 Te Te2 1 1.93824807 2.03193878 0.00000000 1 Zr Zr3 1 1.93824807 0.00000000 2.08585729 1 [/CIF]
Ni2TeZr
Pmmm
47
orthorhombic
mmm
8,495.055029
false
[CIF] data_HfVSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60555725 _cell_length_b 4.60555725 _cell_length_c 4.60555725 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVSnRu _chemical_formula_sum 'Hf1 V1 Sn1 Ru1' _cell_volume 69.07669602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62831038 1.62831038 1.62831038 1 Ru Ru1 1 3.25662076 3.25662076 3.25662076 1 Sn Sn2 1 4.88493114 4.88493114 4.88493114 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfRuSnV
F-43m
216
cubic
-43m
10,798.623674
false
[CIF] data_Tl2PSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21682502 _cell_length_b 6.21682502 _cell_length_c 6.21682502 _cell_angle_alpha 147.65727087 _cell_angle_beta 124.04978281 _cell_angle_gamma 66.12290164 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2PSe _chemical_formula_sum 'Tl2 P1 Se1' _cell_volume 105.23284308 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.56677937 1 Se Se1 1 -0.00000000 2.91623760 2.05248278 1 Tl Tl2 1 -0.00000000 0.00000000 10.31205734 1 Tl Tl3 1 1.73145498 -0.00000000 2.90961541 1 [/CIF]
PSeTl2
Imm2
44
orthorhombic
mm2
8,184.918223
false
[CIF] data_ScRe2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19397799 _cell_length_b 9.19397799 _cell_length_c 9.19397799 _cell_angle_alpha 19.26830583 _cell_angle_beta 19.26830583 _cell_angle_gamma 19.26830583 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRe2Sb _chemical_formula_sum 'Sc1 Re2 Sb1' _cell_volume 73.98120839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12394000 1 Re Re1 1 -0.00000000 -0.00000000 20.11342197 1 Sb Sb2 1 0.00000000 0.00000000 13.38421807 1 Sc Sc3 1 -0.00000000 0.00000000 6.97145093 1 [/CIF]
Re2SbSc
R3m
160
trigonal
3m
12,100.995642
false
[CIF] data_TlWBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12753155 _cell_length_b 6.12753155 _cell_length_c 6.12753155 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlWBr4 _chemical_formula_sum 'Tl1 W1 Br4' _cell_volume 162.68281179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43143830 5.43143830 3.23419992 1 Br Br1 1 5.43143830 3.23419992 5.43143830 1 Br Br2 1 3.23419992 5.43143830 5.43143830 1 Br Br3 1 3.23419992 3.23419992 3.23419992 1 Tl Tl4 1 6.49922867 6.49922867 6.49922867 1 W W5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br4TlW
F-43m
216
cubic
-43m
7,225.070661
false
[CIF] data_GaCoPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33508207 _cell_length_b 4.33508207 _cell_length_c 4.33508207 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCoPdPt _chemical_formula_sum 'Ga1 Co1 Pd1 Pt1' _cell_volume 57.60722749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.53268296 1.53268296 1.53268297 1 Pd Pd2 1 3.06536593 3.06536593 3.06536593 1 Pt Pt3 1 4.59804889 4.59804889 4.59804890 1 [/CIF]
CoGaPdPt
F-43m
216
cubic
-43m
12,399.447776
false
[CIF] data_Ta2AlB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95404795 _cell_length_b 4.95404795 _cell_length_c 4.95404795 _cell_angle_alpha 142.61237458 _cell_angle_beta 121.87286693 _cell_angle_gamma 71.18085362 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2AlB _chemical_formula_sum 'Ta2 Al1 B1' _cell_volume 61.57703615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02862195 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.58782538 -0.00000000 1.58288392 1 Ta Ta3 1 0.00000000 2.40657575 2.44573803 1 [/CIF]
AlBTa2
Immm
71
orthorhombic
mmm
10,778.337019
false
[CIF] data_CaNi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41662595 _cell_length_b 5.41662595 _cell_length_c 5.41662595 _cell_angle_alpha 141.97094103 _cell_angle_beta 135.56565103 _cell_angle_gamma 59.88405351 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNi2P _chemical_formula_sum 'Ca1 Ni2 P1' _cell_volume 67.86094427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.76477961 -0.00000000 2.67228327 1 Ni Ni1 1 -0.00000000 0.00000000 0.19126157 1 Ni Ni2 1 -0.00000000 2.04812540 1.51121045 1 P P3 1 -0.00000000 -0.00000000 5.01259193 1 [/CIF]
CaNi2P
Imm2
44
orthorhombic
mm2
4,611.040964
false
[CIF] data_BaNaVHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65122180 _cell_length_b 5.65122180 _cell_length_c 5.65122180 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaVHg _chemical_formula_sum 'Ba1 Na1 V1 Hg1' _cell_volume 127.61803753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.99601726 3.99601726 3.99601726 1 Hg Hg1 1 1.99800863 1.99800863 1.99800863 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 5.99402589 5.99402589 5.99402589 1 [/CIF]
BaHgNaV
F-43m
216
cubic
-43m
5,358.883069
false
[CIF] data_HfBeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16632846 _cell_length_b 4.16632846 _cell_length_c 3.38399064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeIr2 _chemical_formula_sum 'Hf1 Be1 Ir2' _cell_volume 58.74030049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08316423 2.08316423 0.00000000 1 Ir Ir2 1 2.08316423 0.00000000 1.69199532 1 Ir Ir3 1 0.00000000 2.08316423 1.69199532 1 [/CIF]
BeHfIr2
P4/mmm
123
tetragonal
4/mmm
16,168.163375
false
[CIF] data_Fe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71394415 _cell_length_b 4.71394415 _cell_length_c 4.71394415 _cell_angle_alpha 146.41136523 _cell_angle_beta 146.41136523 _cell_angle_gamma 48.23614990 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2P _chemical_formula_sum 'Fe2 P1' _cell_volume 31.92638399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.58442385 1 Fe Fe1 1 0.00000000 -0.00000000 3.02045993 1 P P2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2P
I4/mmm
139
tetragonal
4/mmm
7,420.189473
false
[CIF] data_ScGe4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35115191 _cell_length_b 5.35115191 _cell_length_c 5.35115191 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGe4W _chemical_formula_sum 'Sc1 Ge4 W1' _cell_volume 108.34948248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84015590 2.84015590 4.72751570 1 Ge Ge1 1 2.84015590 4.72751570 2.84015590 1 Ge Ge2 1 4.72751570 2.84015590 2.84015590 1 Ge Ge3 1 4.72751570 4.72751570 4.72751570 1 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 1.89191790 1.89191790 1.89191790 1 [/CIF]
Ge4ScW
F-43m
216
cubic
-43m
7,959.528385
false
[CIF] data_Na2CrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51956120 _cell_length_b 5.51956120 _cell_length_c 7.20973538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.85633027 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CrO4 _chemical_formula_sum 'Na4 Cr2 O8' _cell_volume 199.30137279 _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 2.97149216 -1.33880259 1.80243385 1 Cr Cr1 1 2.97149216 1.33880259 5.40730154 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 0.00000000 0.00000000 3.60486769 1 Na Na4 1 2.97149216 1.74152509 1.80243385 1 Na Na5 1 2.97149216 -1.74152509 5.40730154 1 O O6 1 2.97149216 -2.30122443 3.14784230 1 O O7 1 2.97149216 2.30122443 6.75270999 1 O O8 1 1.60940000 -0.36301374 1.80243385 1 O O9 1 4.33358432 0.36301374 5.40730154 1 O O10 1 1.60940000 0.36301374 5.40730154 1 O O11 1 4.33358432 -0.36301374 1.80243385 1 O O12 1 2.97149216 2.30122443 4.06189308 1 O O13 1 2.97149216 -2.30122443 0.45702539 1 [/CIF]
Cr2Na4O8
Cmcm
63
orthorhombic
mmm
2,699.057093
false
[CIF] data_Zn2FeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65027000 _cell_length_b 6.65027000 _cell_length_c 6.65027000 _cell_angle_alpha 146.45569462 _cell_angle_beta 59.99468428 _cell_angle_gamma 131.80684847 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2FeS3 _chemical_formula_sum 'Zn2 Fe1 S3' _cell_volume 120.03826728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91823323 2.71692614 1 Zn Zn1 1 1.91904500 3.84122377 0.00178114 1 Fe Fe2 1 1.91904500 -0.00000000 0.00772187 1 S S3 1 1.91904500 1.90379427 1.34335872 1 S S4 1 1.91904500 -1.90379427 1.34335872 1 S S5 1 0.00000000 -0.00000000 4.08985550 1 [/CIF]
FeS3Zn2
Imm2
44
orthorhombic
mm2
3,912.089525
false
[CIF] data_AgBi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03037926 _cell_length_b 5.03037926 _cell_length_c 5.03037926 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBi2Ir _chemical_formula_sum 'Ag1 Bi2 Ir1' _cell_volume 90.00926011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 3.55701529 3.55701529 3.55701529 1 Bi Bi2 1 1.77850765 1.77850765 1.77850764 1 Ir Ir3 1 5.33552294 5.33552294 5.33552294 1 [/CIF]
AgBi2Ir
F-43m
216
cubic
-43m
13,246.89741
false
[CIF] data_Ni2Te2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60232515 _cell_length_b 3.25259671 _cell_length_c 17.84996409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2Te2P _chemical_formula_sum 'Ni8 Te8 P4' _cell_volume 383.32264279 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.62440526 2.43944753 3.30346340 1 Ni Ni1 1 2.67675731 0.81314918 12.22844545 1 Ni Ni2 1 5.97791989 0.81314918 14.54650069 1 Ni Ni3 1 3.92556784 2.43944753 5.62151864 1 Ni Ni4 1 1.41795721 2.43944753 5.68015435 1 Ni Ni5 1 1.88320537 0.81314918 14.60513639 1 Ni Ni6 1 5.18436794 0.81314918 12.16980974 1 Ni Ni7 1 4.71911978 2.43944753 3.24482770 1 P P8 1 2.58595534 0.81314918 4.39703003 1 P P9 1 0.71520724 2.43944753 13.32201207 1 P P10 1 4.01636981 2.43944753 13.45293406 1 P P11 1 5.88711791 0.81314918 4.52795202 1 Te Te12 1 2.67677223 0.81314918 7.29251144 1 Te Te13 1 0.62439034 2.43944753 16.21749348 1 Te Te14 1 3.92555292 2.43944753 10.55745265 1 Te Te15 1 5.97793481 0.81314918 1.63247061 1 Te Te16 1 2.65123279 2.43944753 1.70932880 1 Te Te17 1 0.64992978 0.81314918 10.63431085 1 Te Te18 1 3.95109236 0.81314918 16.14063529 1 Te Te19 1 5.95239537 2.43944753 7.21565324 1 [/CIF]
Ni8P4Te8
Pnma
62
orthorhombic
mmm
6,992.835843
false
[CIF] data_Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77116005 _cell_length_b 2.77116005 _cell_length_c 2.77116005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re _chemical_formula_sum Re1 _cell_volume 15.04768975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 [/CIF]
Re
Fm-3m
225
cubic
m-3m
20,548.270407
false
[CIF] data_V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60678428 _cell_length_b 2.60678428 _cell_length_c 4.68238757 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V _chemical_formula_sum V2 _cell_volume 27.55549245 _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 V V0 1 1.30339214 0.75251380 3.51179068 1 V V1 1 0.00000000 1.50502761 1.17059689 1 [/CIF]
V2
P6_3/mmc
194
hexagonal
6/mmm
6,139.636299
false
[CIF] data_Zn2NiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76207960 _cell_length_b 3.74104862 _cell_length_c 5.30728223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2NiPt _chemical_formula_sum 'Zn2 Ni1 Pt1' _cell_volume 54.84054042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 2.54452605 1 Pt Pt1 1 1.38103980 1.87052431 4.02523773 1 Zn Zn2 1 0.00000000 0.00000000 5.27410503 1 Zn Zn3 1 1.38103980 1.87052431 1.42433677 1 [/CIF]
NiPtZn2
Pmm2
25
orthorhombic
mm2
11,643.564603
false
[CIF] data_Tl2VP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03235219 _cell_length_b 5.03235219 _cell_length_c 5.03235219 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2VP _chemical_formula_sum 'Tl2 V1 P1' _cell_volume 90.11520720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 3.55841036 3.55841036 3.55841036 1 Tl Tl2 1 5.33761554 5.33761554 5.33761554 1 V V3 1 1.77920518 1.77920518 1.77920518 1 [/CIF]
PTl2V
F-43m
216
cubic
-43m
9,041.719222
false
[CIF] data_CaBOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71461858 _cell_length_b 4.71461858 _cell_length_c 2.89603063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.24758725 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBOs2 _chemical_formula_sum 'Ca1 B1 Os2' _cell_volume 59.57982031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 2.62793017 -0.00000000 0.00000000 1 Os Os2 1 1.31396508 -1.95714150 1.44801531 1 Os Os3 1 1.31396509 1.95714150 1.44801531 1 [/CIF]
BCaOs2
Cmmm
65
orthorhombic
mmm
12,022.054819
false
[CIF] data_HoHf2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86507593 _cell_length_b 4.86507593 _cell_length_c 4.86507593 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoHf2Tc _chemical_formula_sum 'Ho1 Hf2 Tc1' _cell_volume 81.42426961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72006409 1.72006409 1.72006409 1 Hf Hf1 1 5.16019228 5.16019228 5.16019228 1 Ho Ho2 1 3.44012818 3.44012818 3.44012818 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2HoTc
Fm-3m
225
cubic
m-3m
12,660.722529
false
[CIF] data_PrHf2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92217466 _cell_length_b 4.92217466 _cell_length_c 4.92217466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrHf2Be _chemical_formula_sum 'Pr1 Hf2 Be1' _cell_volume 84.32494436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.22075462 5.22075462 5.22075462 1 Hf Hf2 1 1.74025154 1.74025154 1.74025154 1 Pr Pr3 1 3.48050308 3.48050308 3.48050308 1 [/CIF]
BeHf2Pr
Fm-3m
225
cubic
m-3m
9,981.945204
false
[CIF] data_HfHgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60820226 _cell_length_b 4.60820226 _cell_length_c 4.60820226 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHgIr2 _chemical_formula_sum 'Hf1 Hg1 Ir2' _cell_volume 69.19577870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Hg Hg1 1 3.25849107 3.25849107 3.25849107 1 Ir Ir2 1 4.88773661 4.88773661 4.88773661 1 Ir Ir3 1 1.62924553 1.62924553 1.62924554 1 [/CIF]
HfHgIr2
Fm-3m
225
cubic
m-3m
18,322.57471
false
[CIF] data_Sn2BiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16374626 _cell_length_b 5.16374626 _cell_length_c 5.16374626 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2BiB _chemical_formula_sum 'Sn2 Bi1 B1' _cell_volume 97.35980236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.65132000 3.65132000 3.65132000 1 Sn Sn2 1 5.47698000 5.47698000 5.47698000 1 Sn Sn3 1 1.82566000 1.82566000 1.82566000 1 [/CIF]
BBiSn2
Fm-3m
225
cubic
m-3m
7,798.058059
false
[CIF] data_ScTiV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94534751 _cell_length_b 4.94534751 _cell_length_c 4.94534751 _cell_angle_alpha 131.53698360 _cell_angle_beta 131.53698360 _cell_angle_gamma 70.96130140 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTiV2 _chemical_formula_sum 'Sc1 Ti1 V2' _cell_volume 66.36020891 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 4.02705375 1 V V2 1 -0.00000000 2.02969211 2.01352688 1 V V3 1 2.02969211 -0.00000000 2.01352688 1 [/CIF]
ScTiV2
I4/mmm
139
tetragonal
4/mmm
4,872.148215
false
[CIF] data_MgTaCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.38520351 _cell_length_b 10.38520351 _cell_length_c 10.38520351 _cell_angle_alpha 16.77490426 _cell_angle_beta 16.77490426 _cell_angle_gamma 16.77490426 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaCd2 _chemical_formula_sum 'Mg1 Ta1 Cd2' _cell_volume 81.37605505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 0.06143635 1 Cd Cd1 1 0.00000000 -0.00000000 7.65005932 1 Mg Mg2 1 -0.00000000 -0.00000000 15.29259917 1 Ta Ta3 1 -0.00000000 -0.00000000 23.06165369 1 [/CIF]
Cd2MgTa
R3m
160
trigonal
3m
8,775.998544
false
[CIF] data_HfTaNbMoWC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.38211422 _cell_length_b 11.38211422 _cell_length_c 11.38211422 _cell_angle_alpha 164.00999558 _cell_angle_beta 164.00999558 _cell_angle_gamma 22.68790456 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaNbMoWC5 _chemical_formula_sum 'Hf1 Ta1 Nb1 Mo1 W1 C5' _cell_volume 111.87468549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.66066987 1 C C1 1 0.00000000 -0.00000000 20.10659376 1 C C2 1 0.00000000 0.00000000 11.22089528 1 C C3 1 0.00000000 -0.00000000 2.22027879 1 C C4 1 0.00000000 -0.00000000 15.59205482 1 Hf Hf5 1 0.00000000 -0.00000000 8.96527913 1 Mo Mo6 1 0.00000000 -0.00000000 0.02358547 1 Nb Nb7 1 0.00000000 0.00000000 17.85022878 1 Ta Ta8 1 0.00000000 -0.00000000 4.43665792 1 W W9 1 0.00000000 0.00000000 13.36154119 1 [/CIF]
C5HfMoNbTaW
I4mm
107
tetragonal
4mm
11,758.471751
false
[CIF] data_Ta2BiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08132672 _cell_length_b 4.02427420 _cell_length_c 6.38016601 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.13440186 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BiRu _chemical_formula_sum 'Ta2 Bi1 Ru1' _cell_volume 77.88034871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.56132004 0.00000000 3.14031040 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.19205540 2.01213710 1.27482609 1 Ta Ta3 1 0.76663125 2.01213710 5.00579471 1 [/CIF]
BiRuTa2
P2/m
10
monoclinic
2/m
14,327.014038
false
[CIF] data_PC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85114373 _cell_length_b 2.85114373 _cell_length_c 5.25511020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PC _chemical_formula_sum 'P2 C2' _cell_volume 42.71889906 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.42557187 0.00000000 3.51733717 1 C C1 1 0.00000000 1.42557187 1.73777303 1 P P2 1 1.42557187 0.00000000 1.61250734 1 P P3 1 0.00000000 1.42557187 3.64260286 1 [/CIF]
C2P2
P4/nmm
129
tetragonal
4/mmm
3,341.734323
false
[CIF] data_As3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10037705 _cell_length_b 5.10037705 _cell_length_c 5.10037705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As3Au _chemical_formula_sum 'As3 Au1' _cell_volume 132.68042339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.55018852 0.00000000 0.00000000 1 As As1 1 0.00000000 2.55018852 0.00000000 1 As As2 1 0.00000000 0.00000000 2.55018852 1 Au Au3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As3Au
Pm-3m
221
cubic
m-3m
5,278.106566
false
[CIF] data_ZnReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16622934 _cell_length_b 4.16622934 _cell_length_c 4.16622934 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnReGe _chemical_formula_sum 'Zn1 Re1 Ge1' _cell_volume 51.13455985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.47298451 1.47298451 1.47298451 1 Re Re1 1 4.41895353 4.41895353 4.41895353 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeReZn
F-43m
216
cubic
-43m
10,528.918241
false
[CIF] data_Lu3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57864314 _cell_length_b 6.57864314 _cell_length_c 4.82949100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Ir _chemical_formula_sum 'Lu6 Ir2' _cell_volume 181.01086774 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.28932157 1.89909069 3.62211825 1 Ir Ir1 1 0.00000000 3.79818139 1.20737275 1 Lu Lu2 1 4.82218654 1.01409069 1.20737275 1 Lu Lu3 1 1.75645660 1.01409069 1.20737275 1 Lu Lu4 1 3.28932157 3.66909070 1.20737275 1 Lu Lu5 1 -1.53286497 4.68318139 3.62211825 1 Lu Lu6 1 1.53286497 4.68318139 3.62211825 1 Lu Lu7 1 0.00000000 2.02818139 3.62211825 1 [/CIF]
Ir2Lu6
P6_3/mmc
194
hexagonal
6/mmm
13,157.237641
false
[CIF] data_ScAsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89613866 _cell_length_b 4.89613866 _cell_length_c 4.38289355 _cell_angle_alpha 107.07908187 _cell_angle_beta 107.07908187 _cell_angle_gamma 39.73442282 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAsRh2 _chemical_formula_sum 'Sc1 As1 Rh2' _cell_volume 63.80356611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.27145026 0.00000000 3.45393743 1 Rh Rh1 1 7.76505269 0.00000000 3.88213419 1 Rh Rh2 1 6.56808191 0.00000000 1.14917832 1 Sc Sc3 1 3.99739047 -0.00000000 1.92402380 1 [/CIF]
AsRh2Sc
Cm
8
monoclinic
m
8,476.305176
false
[CIF] data_LiOs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08983361 _cell_length_b 3.08983361 _cell_length_c 5.81499067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiOs2W _chemical_formula_sum 'Li1 Os2 W1' _cell_volume 55.51613290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.54491680 1.54491680 1.36450786 1 Os Os2 1 1.54491680 1.54491680 4.45048281 1 W W3 1 0.00000000 0.00000000 2.90749534 1 [/CIF]
LiOs2W
P4/mmm
123
tetragonal
4/mmm
17,086.374899
false
[CIF] data_Li3MnSiCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08553700 _cell_length_b 6.30340300 _cell_length_c 8.44584444 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.40323702 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3MnSiCO7 _chemical_formula_sum 'Li6 Mn2 Si2 C2 O14' _cell_volume 270.50345970 _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 Li Li0 1 3.49328929 1.57585075 7.55836516 1 Li Li1 1 0.89413044 0.21014915 5.99745228 1 Li Li2 1 0.89413044 2.94155235 5.99745228 1 Li Li3 1 3.83725456 3.36185065 2.44096372 1 Li Li4 1 3.83725456 6.09325385 2.44096372 1 Li Li5 1 1.23809571 4.72755225 0.88005084 1 Mn Mn6 1 3.76887088 4.72755225 5.70279967 1 Mn Mn7 1 0.96251412 1.57585075 2.73561633 1 Si Si8 1 3.37998222 1.57585075 4.83598870 1 Si Si9 1 1.35140278 4.72755225 3.60242730 1 C C10 1 3.31377290 4.72755225 8.29042306 1 C C11 1 1.41761210 1.57585075 0.14799294 1 O O12 1 1.45744279 1.57585075 7.35731990 1 O O13 1 4.55900245 4.72755225 7.95549389 1 O O14 1 2.41586560 4.72755225 7.33775121 1 O O15 1 3.87272664 0.33648826 5.82339307 1 O O16 1 3.87272664 2.81521324 5.82339307 1 O O17 1 1.74856991 1.57585075 4.64096003 1 O O18 1 0.66221530 4.72755225 5.08354651 1 O O19 1 4.06916970 1.57585075 3.35486949 1 O O20 1 2.98281509 4.72755225 3.79745597 1 O O21 1 0.85865836 3.48818976 2.61502293 1 O O22 1 0.85865836 5.96691474 2.61502293 1 O O23 1 2.31551940 1.57585075 1.10066479 1 O O24 1 0.17238255 1.57585075 0.48292211 1 O O25 1 3.27394221 4.72755225 1.08109610 1 [/CIF]
C2Li6Mn2O14Si2
P2_1/m
11
monoclinic
2/m
2,797.442096
false
[CIF] data_PdSeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77011911 _cell_length_b 4.77011911 _cell_length_c 4.77011911 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdSeCl2 _chemical_formula_sum 'Pd1 Se1 Cl2' _cell_volume 76.74899068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.05947536 5.05947536 5.05947536 1 Cl Cl1 1 1.68649178 1.68649178 1.68649178 1 Pd Pd2 1 3.37298357 3.37298357 3.37298357 1 Se Se3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Cl2PdSe
Fm-3m
225
cubic
m-3m
5,544.996898
false
[CIF] data_CaAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63312844 _cell_length_b 4.63312844 _cell_length_c 4.63312844 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAgOs _chemical_formula_sum 'Ca1 Ag1 Os1' _cell_volume 70.32472179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27611654 3.27611654 3.27611654 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.63805827 1.63805827 1.63805827 1 [/CIF]
AgCaOs
F-43m
216
cubic
-43m
7,985.169045
false
[CIF] data_NaHg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82956138 _cell_length_b 4.82956138 _cell_length_c 8.62158359 _cell_angle_alpha 108.27250073 _cell_angle_beta 108.27250073 _cell_angle_gamma 59.94148650 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHg2Br _chemical_formula_sum 'Na1 Hg2 Br1' _cell_volume 162.25102430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.52387549 -0.00000000 2.91969912 1 Hg Hg1 1 5.22299415 -0.00000000 7.94269684 1 Hg Hg2 1 -0.36223891 0.00000000 6.06148390 1 Na Na3 1 2.73302716 0.00000000 3.16879769 1 [/CIF]
BrHg2Na
Cm
8
monoclinic
m
5,158.883834
false
[CIF] data_SnGe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82788729 _cell_length_b 4.82788729 _cell_length_c 5.58497483 _cell_angle_alpha 105.73839450 _cell_angle_beta 105.73839450 _cell_angle_gamma 43.33295950 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGe2Au _chemical_formula_sum 'Sn1 Ge2 Au1' _cell_volume 85.44289522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.26160525 0.00000000 1.20127367 1 Ge Ge1 1 -1.52164188 0.00000000 5.29005481 1 Ge Ge2 1 1.01961477 0.00000000 4.29493890 1 Sn Sn3 1 3.62563097 0.00000000 2.56823336 1 [/CIF]
AuGe2Sn
Cm
8
monoclinic
m
8,958.45569
false
[CIF] data_LiTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88137899 _cell_length_b 3.86508056 _cell_length_c 6.34779176 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTa _chemical_formula_sum 'Li2 Ta2' _cell_volume 70.69384555 _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 Li Li0 1 0.00000000 0.00000000 3.88892809 1 Li Li1 1 1.44068949 1.93254028 2.45886367 1 Ta Ta2 1 0.00000000 0.00000000 0.71885454 1 Ta Ta3 1 1.44068949 1.93254028 5.62893722 1 [/CIF]
Li2Ta2
Pmmn
59
orthorhombic
mmm
8,826.704022
false
[CIF] data_BIrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64539642 _cell_length_b 4.64539642 _cell_length_c 4.64539642 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BIrBr2 _chemical_formula_sum 'B1 Ir1 Br2' _cell_volume 70.88483698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.92718697 4.92718697 4.92718697 1 Br Br2 1 1.64239566 1.64239565 1.64239566 1 Ir Ir3 1 3.28479131 3.28479131 3.28479131 1 [/CIF]
BBr2Ir
Fm-3m
225
cubic
m-3m
8,499.74943
false
[CIF] data_Mg2FeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45436284 _cell_length_b 4.45436284 _cell_length_c 4.45436284 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2FeCu _chemical_formula_sum 'Mg2 Fe1 Cu1' _cell_volume 62.49449656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72456526 4.72456526 4.72456526 1 Fe Fe1 1 3.14971017 3.14971017 3.14971017 1 Mg Mg2 1 1.57485509 1.57485509 1.57485509 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuFeMg2
F-43m
216
cubic
-43m
4,463.948653
false
[CIF] data_ZrGe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24793775 _cell_length_b 3.24793775 _cell_length_c 9.16754348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGe2Pb _chemical_formula_sum 'Zr1 Ge2 Pb1' _cell_volume 96.70932951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.62396888 1.62396888 2.28798013 1 Ge Ge1 1 1.62396888 1.62396888 6.87956335 1 Pb Pb2 1 0.00000000 0.00000000 4.58377174 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2PbZr
P4/mmm
123
tetragonal
4/mmm
7,618.580645
false
[CIF] data_La2RuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19926764 _cell_length_b 5.19926764 _cell_length_c 3.66788881 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2RuAu _chemical_formula_sum 'La2 Ru1 Au1' _cell_volume 99.15177875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59963382 2.59963382 0.00000000 1 La La1 1 2.59963382 0.00000000 1.83394440 1 La La2 1 0.00000000 2.59963382 1.83394440 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLa2Ru
P4/mmm
123
tetragonal
4/mmm
9,643.975097
false
[CIF] data_VZnReAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41295898 _cell_length_b 4.41295898 _cell_length_c 4.41295898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnReAu _chemical_formula_sum 'V1 Zn1 Re1 Au1' _cell_volume 60.76796233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.68064983 4.68064983 4.68064983 1 Re Re1 1 3.12043322 3.12043322 3.12043322 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.56021661 1.56021661 1.56021661 1 [/CIF]
AuReVZn
F-43m
216
cubic
-43m
13,649.1507
false
[CIF] data_CaTaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39886842 _cell_length_b 4.39886842 _cell_length_c 4.39886842 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaFe _chemical_formula_sum 'Ca1 Ta1 Fe1' _cell_volume 60.18772345 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.55523485 1.55523485 1.55523485 1 Ta Ta2 1 3.11046969 3.11046969 3.11046969 1 [/CIF]
CaFeTa
F-43m
216
cubic
-43m
7,638.682547
false
[CIF] data_AgMoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82158725 _cell_length_b 4.65162769 _cell_length_c 4.73639178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgMoOs2 _chemical_formula_sum 'Ag1 Mo1 Os2' _cell_volume 62.16501604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41079362 0.00000000 2.36819589 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.00000000 2.32581384 2.36819589 1 Os Os3 1 1.41079362 2.32581384 0.00000000 1 [/CIF]
AgMoOs2
Pmmm
47
orthorhombic
mmm
15,607.385698
false
[CIF] data_Li2FeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.58634684 _cell_length_b 2.58634684 _cell_length_c 9.11541310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.02034520 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2FeTc _chemical_formula_sum 'Li2 Fe1 Tc1' _cell_volume 55.69437737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37053218 1 Li Li1 1 1.40824031 0.00000000 0.21948930 1 Li Li2 1 0.00000000 0.00000000 6.71730078 1 Tc Tc3 1 1.40824031 0.00000000 4.36579739 1 [/CIF]
FeLi2Tc
Cmm2
35
orthorhombic
mm2
5,027.832786
false
[CIF] data_Mg2PbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08461075 _cell_length_b 8.08461075 _cell_length_c 8.08461075 _cell_angle_alpha 154.36670295 _cell_angle_beta 154.09005286 _cell_angle_gamma 36.76824900 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2PbSe _chemical_formula_sum 'Mg2 Pb1 Se1' _cell_volume 99.75111578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79342407 -0.00000000 1.07266666 1 Mg Mg1 1 -0.00000000 0.00000000 11.93094154 1 Pb Pb2 1 1.79342407 -0.00000000 6.84684386 1 Se Se3 1 0.00000000 -0.00000000 3.16554791 1 [/CIF]
Mg2PbSe
Imm2
44
orthorhombic
mm2
5,572.856594
false
[CIF] data_AlCdCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28762415 _cell_length_b 4.28762415 _cell_length_c 4.28762415 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdCo2 _chemical_formula_sum 'Al1 Cd1 Co2' _cell_volume 55.73591391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.54771217 4.54771217 4.54771217 1 Co Co2 1 3.03180811 3.03180811 3.03180811 1 Co Co3 1 1.51590406 1.51590406 1.51590406 1 [/CIF]
AlCdCo2
F-43m
216
cubic
-43m
7,664.510568
false
[CIF] data_NiSnHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50656424 _cell_length_b 4.52956494 _cell_length_c 5.25358392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSnHg2 _chemical_formula_sum 'Ni1 Sn1 Hg2' _cell_volume 83.44377897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75328212 0.00000000 2.62679196 1 Hg Hg1 1 0.00000000 2.26478247 2.62679196 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 1.75328212 2.26478247 0.00000000 1 [/CIF]
Hg2NiSn
Pmmm
47
orthorhombic
mmm
11,513.864195
false
[CIF] data_ZrCuSiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58228268 _cell_length_b 3.58228268 _cell_length_c 9.48964500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCuSiP _chemical_formula_sum 'Zr2 Cu2 Si2 P2' _cell_volume 121.77823428 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 4.74482250 1 Cu Cu1 1 1.79114134 1.79114134 4.74482250 1 P P2 1 0.00000000 1.79114134 3.10946182 1 P P3 1 1.79114134 0.00000000 6.38018318 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 Si Si5 1 1.79114134 1.79114134 0.00000000 1 Zr Zr6 1 1.79114134 0.00000000 2.16894548 1 Zr Zr7 1 0.00000000 1.79114134 7.32069952 1 [/CIF]
Cu2P2Si2Zr2
P4/nmm
129
tetragonal
4/mmm
5,831.450016
false
[CIF] data_K2As2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01711078 _cell_length_b 8.01711078 _cell_length_c 6.09401341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 131.56186433 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2As2Pd _chemical_formula_sum 'K4 As4 Pd2' _cell_volume 293.07582571 _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 K K0 1 3.28883179 -1.14774764 4.57051006 1 K K1 1 3.28883179 1.14774764 1.52350335 1 K K2 1 3.28883179 4.30074429 4.57051006 1 K K3 1 3.28883179 -4.30074429 1.52350335 1 As As4 1 5.35817698 -1.62487389 1.52350335 1 As As5 1 1.21948659 1.62487389 4.57051006 1 As As6 1 5.35817698 1.62487389 4.57051006 1 As As7 1 1.21948659 -1.62487389 1.52350335 1 Pd Pd8 1 0.00000000 0.00000000 0.00000000 1 Pd Pd9 1 0.00000000 0.00000000 3.04700670 1 [/CIF]
As4K4Pd2
Cmcm
63
orthorhombic
mmm
3,790.033264
false
[CIF] data_Ba2SrHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25001951 _cell_length_b 6.25001951 _cell_length_c 6.25001951 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SrHf _chemical_formula_sum 'Ba2 Sr1 Hf1' _cell_volume 172.63510841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20971559 2.20971559 2.20971559 1 Ba Ba1 1 6.62914677 6.62914677 6.62914677 1 Hf Hf2 1 4.41943118 4.41943118 4.41943118 1 Sr Sr3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Ba2HfSr
Fm-3m
225
cubic
m-3m
5,201.489755
false
[CIF] data_TcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73197837 _cell_length_b 2.73197837 _cell_length_c 8.25871585 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMo _chemical_formula_sum 'Tc2 Mo2' _cell_volume 61.64062551 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.36598919 0.00000000 5.25797231 1 Mo Mo1 1 0.00000000 1.36598919 3.00074354 1 Tc Tc2 1 1.36598919 0.00000000 0.90831322 1 Tc Tc3 1 0.00000000 1.36598919 7.35040263 1 [/CIF]
Mo2Tc2
P4/nmm
129
tetragonal
4/mmm
10,499.015388
false
[CIF] data_Zn2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31607373 _cell_length_b 4.31607373 _cell_length_c 4.31607373 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2PtRh _chemical_formula_sum 'Zn2 Pt1 Rh1' _cell_volume 56.85276170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.57788750 4.57788750 4.57788750 1 Zn Zn1 1 1.52596250 1.52596250 1.52596250 1 Pt Pt2 1 3.05192500 3.05192500 3.05192500 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtRhZn2
Fm-3m
225
cubic
m-3m
12,522.791738
false
[CIF] data_CdAsBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16250961 _cell_length_b 5.16250961 _cell_length_c 5.16250961 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAsBr2 _chemical_formula_sum 'Cd1 As1 Br2' _cell_volume 97.28986939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 3.65044555 3.65044555 3.65044555 1 Br Br2 1 5.47566833 5.47566833 5.47566833 1 Cd Cd3 1 1.82522278 1.82522278 1.82522278 1 [/CIF]
AsBr2Cd
F-43m
216
cubic
-43m
5,924.979975
false
[CIF] data_ZrPOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92608243 _cell_length_b 2.92608243 _cell_length_c 7.17891247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPOs2 _chemical_formula_sum 'Zr1 P1 Os2' _cell_volume 61.46554983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.18719409 1 Os Os1 1 1.46304122 1.46304122 1.98257298 1 P P2 1 0.00000000 0.00000000 3.35609779 1 Zr Zr3 1 1.46304122 1.46304122 5.24250392 1 [/CIF]
Os2PZr
P4mm
99
tetragonal
4mm
13,579.685746
false
[CIF] data_TiV2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78676518 _cell_length_b 2.78676518 _cell_length_c 8.71953418 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.84059894 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiV2In _chemical_formula_sum 'Ti1 V2 In1' _cell_volume 66.02298313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 4.35976709 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.73783421 0.00000000 2.06049725 1 V V3 1 1.73783421 0.00000000 6.65903693 1 [/CIF]
InTiV2
Cmmm
65
orthorhombic
mmm
6,654.129803
false
[CIF] data_SiMoSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79243487 _cell_length_b 4.79243487 _cell_length_c 4.79243487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMoSe3 _chemical_formula_sum 'Si1 Mo1 Se3' _cell_volume 110.06992191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39621744 2.39621744 2.39621744 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 0.00000000 2.39621744 0.00000000 1 Se Se3 1 0.00000000 0.00000000 2.39621744 1 Se Se4 1 2.39621744 0.00000000 0.00000000 1 [/CIF]
MoSe3Si
Pm-3m
221
cubic
m-3m
5,445.001527
false
[CIF] data_AlMoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27272876 _cell_length_b 4.27272876 _cell_length_c 4.27272876 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlMoAu _chemical_formula_sum 'Al1 Mo1 Au1' _cell_volume 55.15704281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 1.51063774 1.51063774 1.51063774 1 Mo Mo2 1 4.53191322 4.53191322 4.53191322 1 [/CIF]
AlAuMo
F-43m
216
cubic
-43m
9,631.044076
false
[CIF] data_SrDy2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32422415 _cell_length_b 5.32422415 _cell_length_c 5.32422415 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrDy2Mo _chemical_formula_sum 'Sr1 Dy2 Mo1' _cell_volume 106.72200967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64719250 5.64719250 5.64719250 1 Dy Dy1 1 1.88239750 1.88239750 1.88239750 1 Mo Mo2 1 3.76479500 3.76479500 3.76479500 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Dy2MoSr
Fm-3m
225
cubic
m-3m
7,913.240775
false
[CIF] data_V2WC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09912330 _cell_length_b 4.09912330 _cell_length_c 4.09912330 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2WC _chemical_formula_sum 'V2 W1 C1' _cell_volume 48.70325044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 1.44925894 1.44925894 1.44925894 1 V V2 1 4.34777682 4.34777682 4.34777682 1 W W3 1 2.89851788 2.89851788 2.89851788 1 [/CIF]
CV2W
Fm-3m
225
cubic
m-3m
10,151.241156
false
[CIF] data_Li2SbPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94844051 _cell_length_b 4.94844051 _cell_length_c 6.02982758 _cell_angle_alpha 100.21122442 _cell_angle_beta 100.21122442 _cell_angle_gamma 39.50030249 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SbPb _chemical_formula_sum 'Li2 Sb1 Pb1' _cell_volume 92.23820431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50748299 0.00000000 4.58426624 1 Li Li1 1 6.67145101 0.00000000 1.33763044 1 Pb Pb2 1 4.08946700 0.00000000 2.96094834 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2PbSb
C2/m
12
monoclinic
2/m
6,172.090393
false
[CIF] data_ScCuB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88988961 _cell_length_b 3.88988961 _cell_length_c 3.88988961 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCuB _chemical_formula_sum 'Sc1 Cu1 B1' _cell_volume 41.61949746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.37528366 1.37528366 1.37528366 1 Sc Sc2 1 4.12585098 4.12585098 4.12585098 1 [/CIF]
BCuSc
F-43m
216
cubic
-43m
4,760.359054
false
[CIF] data_NbCrRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44234276 _cell_length_b 4.44234276 _cell_length_c 4.44234276 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrRuAu _chemical_formula_sum 'Nb1 Cr1 Ru1 Au1' _cell_volume 61.98993713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14121069 3.14121069 3.14121069 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 4.71181604 4.71181604 4.71181604 1 Ru Ru3 1 1.57060535 1.57060534 1.57060535 1 [/CIF]
AuCrNbRu
F-43m
216
cubic
-43m
11,865.112775
false
[CIF] data_Cu3PtCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76001048 _cell_length_b 4.76001048 _cell_length_c 4.76001048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3PtCl _chemical_formula_sum 'Cu3 Pt1 Cl1' _cell_volume 107.85088836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.38000524 0.00000000 2.38000524 1 Cu Cu1 1 2.38000524 2.38000524 0.00000000 1 Cu Cu2 1 0.00000000 2.38000524 2.38000524 1 Pt Pt3 1 2.38000524 2.38000524 2.38000524 1 Cl Cl4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClCu3Pt
Pm-3m
221
cubic
m-3m
6,484.671124
false
[CIF] data_BaLiCdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44367826 _cell_length_b 5.44367826 _cell_length_c 5.44367826 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiCdIn _chemical_formula_sum 'Ba1 Li1 Cd1 In1' _cell_volume 114.06761166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92463090 1.92463091 1.92463091 1 Cd Cd1 1 5.77389272 5.77389272 5.77389272 1 In In2 1 3.84926181 3.84926181 3.84926181 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCdInLi
F-43m
216
cubic
-43m
5,408.066958
false
[CIF] data_BIr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60396848 _cell_length_b 6.60396848 _cell_length_c 6.60396848 _cell_angle_alpha 30.03042056 _cell_angle_beta 30.03042056 _cell_angle_gamma 30.03042056 _symmetry_Int_Tables_number 1 _chemical_formula_structural BIr2Pb _chemical_formula_sum 'B1 Ir2 Pb1' _cell_volume 63.89982791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 13.56742530 1 Ir Ir2 1 -0.00000000 0.00000000 5.33718728 1 Pb Pb3 1 -0.00000000 -0.00000000 9.45230629 1 [/CIF]
BIr2Pb
R-3m
166
trigonal
-3m
15,655.495336
false
[CIF] data_KTl2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70861040 _cell_length_b 3.70861040 _cell_length_c 7.10904349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTl2Ni _chemical_formula_sum 'K1 Tl2 Ni1' _cell_volume 97.77629908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 0.00000000 0.00000000 3.55452175 1 Tl Tl2 1 1.85430520 1.85430520 5.22112630 1 Tl Tl3 1 1.85430520 1.85430520 1.88791719 1 [/CIF]
KNiTl2
P4/mmm
123
tetragonal
4/mmm
8,602.901262
false
[CIF] data_La2TeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56677954 _cell_length_b 5.56677954 _cell_length_c 5.56677954 _cell_angle_alpha 126.96297731 _cell_angle_beta 126.96297731 _cell_angle_gamma 78.31109387 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TeMo _chemical_formula_sum 'La2 Te1 Mo1' _cell_volume 106.66814474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -0.00000000 2.48549430 2.15833678 1 La La1 1 2.48549430 -0.00000000 2.15833678 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 4.31667356 1 [/CIF]
La2MoTe
I4/mmm
139
tetragonal
4/mmm
7,805.010903
false
[CIF] data_LaY2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59143816 _cell_length_b 6.59143816 _cell_length_c 11.55643925 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaY2 _chemical_formula_sum 'La4 Y8' _cell_volume 434.82553107 _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 La La0 1 0.00000000 3.80556860 0.38119158 1 La La1 1 -0.00000000 3.80556860 5.39702805 1 La La2 1 3.29571908 1.90278430 6.15941120 1 La La3 1 3.29571908 1.90278430 11.17524767 1 Y Y4 1 0.00000000 0.00000000 0.00000000 1 Y Y5 1 0.00000000 0.00000000 5.77821963 1 Y Y6 1 0.00000000 1.90659386 8.66732944 1 Y Y7 1 -1.64456036 4.75505596 8.66732944 1 Y Y8 1 1.65115872 0.95329693 2.88910981 1 Y Y9 1 1.64456036 4.75505596 8.66732944 1 Y Y10 1 4.94027944 0.95329693 2.88910981 1 Y Y11 1 3.29571908 3.80175903 2.88910981 1 [/CIF]
La4Y8
P6_3/mmc
194
hexagonal
6/mmm
4,837.99764
false
[CIF] data_RbErO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82731715 _cell_length_b 6.82731715 _cell_length_c 6.82731715 _cell_angle_alpha 57.27347473 _cell_angle_beta 57.27347473 _cell_angle_gamma 57.27347473 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbErO3 _chemical_formula_sum 'Rb2 Er2 O6' _cell_volume 210.89979019 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 0.00000000 0.00000000 5.85296499 1 Er Er1 1 -0.00000000 0.00000000 11.20683131 1 O O2 1 -1.57945270 -1.22797713 6.79416840 1 O O3 1 1.85318574 -0.75385760 6.79416840 1 O O4 1 -0.27373304 1.98183473 6.79416840 1 O O5 1 0.27373304 -1.98183473 10.26562790 1 O O6 1 -1.85318574 0.75385760 10.26562790 1 O O7 1 1.57945270 1.22797713 10.26562790 1 Rb Rb8 1 -0.00000000 -0.00000000 2.12742171 1 Rb Rb9 1 0.00000000 0.00000000 14.93237459 1 [/CIF]
Er2O6Rb2
R-3
148
trigonal
-3
4,735.57238
false
[CIF] data_LaTlAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54684573 _cell_length_b 3.54684573 _cell_length_c 8.62447095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlAs2 _chemical_formula_sum 'La1 Tl1 As2' _cell_volume 108.49683319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.77342286 1.77342286 6.62365984 1 As As1 1 1.77342286 1.77342286 2.00081111 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.31223547 1 [/CIF]
As2LaTl
P4/mmm
123
tetragonal
4/mmm
7,547.362232
false
[CIF] data_Hg2PbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17675567 _cell_length_b 5.17675567 _cell_length_c 5.17675567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2PbAu _chemical_formula_sum 'Hg2 Pb1 Au1' _cell_volume 98.09751503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 5.49077856 5.49077856 5.49077856 1 Hg Hg2 1 1.83025952 1.83025952 1.83025952 1 Pb Pb3 1 3.66051904 3.66051904 3.66051904 1 [/CIF]
AuHg2Pb
Fm-3m
225
cubic
m-3m
13,632.449707
false
[CIF] data_CsLa2Ce _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22667342 _cell_length_b 6.22667342 _cell_length_c 6.22667342 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLa2Ce _chemical_formula_sum 'Cs1 La2 Ce1' _cell_volume 170.70776129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 4.40292300 4.40292300 4.40292300 1 Cs Cs1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 6.60438450 6.60438450 6.60438450 1 La La3 1 2.20146150 2.20146150 2.20146150 1 [/CIF]
CeCsLa2
Fm-3m
225
cubic
m-3m
5,358.155359
false
[CIF] data_VZn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18956131 _cell_length_b 3.18956131 _cell_length_c 5.49955806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZn2P _chemical_formula_sum 'V1 Zn2 P1' _cell_volume 55.94866126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.96439411 1 V V1 1 1.59478065 1.59478065 3.94932669 1 Zn Zn2 1 0.00000000 0.00000000 0.01176900 1 Zn Zn3 1 1.59478065 1.59478065 1.32384724 1 [/CIF]
PVZn2
P4mm
99
tetragonal
4mm
6,312.14563
false
[CIF] data_ZrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53577529 _cell_length_b 4.53577529 _cell_length_c 5.07988247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFe2 _chemical_formula_sum 'Zr2 Fe4' _cell_volume 90.50808100 _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 0.00000000 0.00000000 2.53994124 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 0.00000000 2.61873108 1.26997062 1 Fe Fe3 1 2.26788764 1.30936554 3.80991185 1 Zr Zr4 1 0.00000000 2.61873108 3.80991185 1 Zr Zr5 1 2.26788764 1.30936554 1.26997062 1 [/CIF]
Fe4Zr2
P6_3/mmc
194
hexagonal
6/mmm
7,445.669291
false
[CIF] data_BaAlIrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03664740 _cell_length_b 5.03664740 _cell_length_c 5.03664740 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAlIrAu _chemical_formula_sum 'Ba1 Al1 Ir1 Au1' _cell_volume 90.34614926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 5.34217129 5.34217129 5.34217129 1 Ba Ba2 1 1.78072376 1.78072376 1.78072376 1 Ir Ir3 1 3.56144753 3.56144753 3.56144753 1 [/CIF]
AlAuBaIr
F-43m
216
cubic
-43m
10,173.043071
false
[CIF] data_Ag4Pt7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55417982 _cell_length_b 9.55417982 _cell_length_c 7.00947926 _cell_angle_alpha 104.91777187 _cell_angle_beta 104.91777187 _cell_angle_gamma 16.89983942 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag4Pt7 _chemical_formula_sum 'Ag4 Pt7' _cell_volume 179.59191651 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.47209541 -0.00000000 3.68726150 1 Ag Ag1 1 2.60456587 -0.00000000 3.08066541 1 Ag Ag2 1 11.87352689 -0.00000000 0.62463935 1 Ag Ag3 1 5.20313439 -0.00000000 6.14328757 1 Pt Pt4 1 9.58760566 -0.00000000 2.38914456 1 Pt Pt5 1 16.67598553 0.00000000 1.91832506 1 Pt Pt6 1 4.91455905 -0.00000000 1.19284323 1 Pt Pt7 1 0.00000000 0.00000000 0.00000000 1 Pt Pt8 1 12.16210223 -0.00000000 5.57508369 1 Pt Pt9 1 0.40067575 -0.00000000 4.84960185 1 Pt Pt10 1 7.48905562 -0.00000000 4.37878236 1 [/CIF]
Ag4Pt7
C2/m
12
monoclinic
2/m
16,615.946427
false
[CIF] data_ScTlGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31574731 _cell_length_b 6.31574731 _cell_length_c 6.31574731 _cell_angle_alpha 148.47112274 _cell_angle_beta 148.47112274 _cell_angle_gamma 45.19037252 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlGe _chemical_formula_sum 'Sc1 Tl1 Ge1' _cell_volume 68.67123956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.21541537 1 Sc Sc1 1 0.00000000 0.00000000 7.52826221 1 Tl Tl2 1 -0.00000000 0.00000000 3.91825509 1 [/CIF]
GeScTl
I4mm
107
tetragonal
4mm
7,785.778495
false
[CIF] data_InGaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56758799 _cell_length_b 4.56758799 _cell_length_c 4.56758799 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGaW2 _chemical_formula_sum 'In1 Ga1 W2' _cell_volume 67.38229034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.22977244 3.22977244 3.22977244 1 W W2 1 4.84465866 4.84465866 4.84465866 1 W W3 1 1.61488622 1.61488622 1.61488622 1 [/CIF]
GaInW2
Fm-3m
225
cubic
m-3m
13,608.687673
false
[CIF] data_AlNi6Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17387827 _cell_length_b 6.17387827 _cell_length_c 10.07568230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.54419211 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi6Ge _chemical_formula_sum 'Al4 Ni24 Ge4' _cell_volume 361.92482796 _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 Al Al0 1 3.56127950 2.54283587 0.00000000 1 Al Al1 1 3.56127950 -2.54283587 0.00000000 1 Al Al2 1 0.00000000 0.00000000 2.49730803 1 Al Al3 1 0.00000000 0.00000000 7.57837427 1 Ge Ge4 1 3.56127950 2.54096584 5.03784115 1 Ge Ge5 1 3.56127950 -2.54096584 5.03784115 1 Ge Ge6 1 3.56127950 0.00000000 2.49637100 1 Ge Ge7 1 3.56127950 0.00000000 7.57931130 1 Ni Ni8 1 3.56127950 2.53342916 2.52054105 1 Ni Ni9 1 5.33931663 -1.25582793 3.77613802 1 Ni Ni10 1 1.78324237 1.25582793 3.77613802 1 Ni Ni11 1 3.56127950 -2.53342916 2.52054105 1 Ni Ni12 1 1.78324237 -1.25582793 3.77613802 1 Ni Ni13 1 5.33931663 1.25582793 3.77613802 1 Ni Ni14 1 3.56127950 0.00000000 0.00000000 1 Ni Ni15 1 1.78567383 1.26527393 1.25733492 1 Ni Ni16 1 1.78567383 -1.26527393 1.25733492 1 Ni Ni17 1 3.56127950 2.53342916 7.55514125 1 Ni Ni18 1 5.33688517 -1.26527393 8.81834738 1 Ni Ni19 1 1.78567383 1.26527393 8.81834738 1 Ni Ni20 1 3.56127950 -2.53342916 7.55514125 1 Ni Ni21 1 1.78567383 -1.26527393 8.81834738 1 Ni Ni22 1 5.33688517 1.26527393 8.81834738 1 Ni Ni23 1 3.56127950 0.00000000 5.03784115 1 Ni Ni24 1 1.78324237 1.25582793 6.29954428 1 Ni Ni25 1 1.78324237 -1.25582793 6.29954428 1 Ni Ni26 1 0.00000000 0.00000000 0.00000000 1 Ni Ni27 1 5.33688517 1.26527393 1.25733492 1 Ni Ni28 1 5.33688517 -1.26527393 1.25733492 1 Ni Ni29 1 0.00000000 0.00000000 5.03784115 1 Ni Ni30 1 5.33931663 1.25582793 6.29954428 1 Ni Ni31 1 5.33931663 -1.25582793 6.29954428 1 [/CIF]
Al4Ge4Ni24
Cmmm
65
orthorhombic
mmm
8,291.241724
false
[CIF] data_DyTmO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90736300 _cell_length_b 8.32893800 _cell_length_c 5.63790600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyTmO3 _chemical_formula_sum 'Dy4 Tm4 O12' _cell_volume 277.39659025 _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 Dy Dy0 1 3.26979631 2.08223450 5.54627875 1 Dy Dy1 1 5.59124819 6.24670350 2.72732575 1 Dy Dy2 1 0.31611481 2.08223450 2.91058025 1 Dy Dy3 1 2.63756669 6.24670350 0.09162725 1 Tm Tm4 1 2.95368150 0.00000000 2.81895300 1 Tm Tm5 1 2.95368150 4.16446900 2.81895300 1 Tm Tm6 1 0.00000000 0.00000000 0.00000000 1 Tm Tm7 1 0.00000000 4.16446900 0.00000000 1 O O8 1 3.40404113 6.24670350 3.63996179 1 O O9 1 4.04682130 4.79840946 1.02251318 1 O O10 1 4.04682130 7.69499754 1.02251318 1 O O11 1 4.81422320 0.63394046 3.84146618 1 O O12 1 4.81422320 3.53052854 3.84146618 1 O O13 1 5.45700337 2.08223450 0.82100879 1 O O14 1 0.45035963 6.24670350 4.81689721 1 O O15 1 1.09313980 7.69499754 1.79643982 1 O O16 1 1.09313980 4.79840946 1.79643982 1 O O17 1 1.86054170 0.63394046 4.61539282 1 O O18 1 1.86054170 3.53052854 4.61539282 1 O O19 1 2.50332187 2.08223450 1.99794421 1 [/CIF]
Dy4O12Tm4
Pnma
62
orthorhombic
mmm
9,085.365316
false
[CIF] data_InCuBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31523067 _cell_length_b 5.31523067 _cell_length_c 5.31523067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCuBi2 _chemical_formula_sum 'In1 Cu1 Bi2' _cell_volume 106.18211027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.75843565 3.75843565 3.75843565 1 Bi Bi1 1 1.87921783 1.87921783 1.87921782 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 5.63765348 5.63765348 5.63765348 1 [/CIF]
Bi2CuIn
F-43m
216
cubic
-43m
9,325.682304
false
[CIF] data_MnBeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72421470 _cell_length_b 2.72421470 _cell_length_c 6.72723634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.69058855 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeP2 _chemical_formula_sum 'Mn1 Be1 P2' _cell_volume 47.82178449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.00000000 0.00000000 3.36361817 1 P P2 1 1.62633201 0.00000000 5.08812253 1 P P3 1 1.62633201 0.00000000 1.63911381 1 [/CIF]
BeMnP2
Cmmm
65
orthorhombic
mmm
4,371.6088
false
[CIF] data_NiAuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62876129 _cell_length_b 5.62876129 _cell_length_c 5.62876129 _cell_angle_alpha 146.07185312 _cell_angle_beta 109.54777213 _cell_angle_gamma 80.54163333 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAuBr2 _chemical_formula_sum 'Ni1 Au1 Br2' _cell_volume 91.59971132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 0.00000000 4.29473175 1 Br Br1 1 1.64231499 0.00000000 1.67610728 1 Br Br2 1 -0.00000000 3.24669591 2.61862447 1 Ni Ni3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBr2Ni
Immm
71
orthorhombic
mmm
7,531.691787
false
[CIF] data_SiRhAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92828694 _cell_length_b 3.92828694 _cell_length_c 4.12141402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiRhAu2 _chemical_formula_sum 'Si1 Rh1 Au2' _cell_volume 63.59934609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 1.96414347 2.06070701 1 Au Au1 1 1.96414347 0.00000000 2.06070701 1 Rh Rh2 1 1.96414347 1.96414347 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2RhSi
P4/mmm
123
tetragonal
4/mmm
13,705.440256
false
[CIF] data_LiZrScIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97559939 _cell_length_b 4.97559939 _cell_length_c 4.97559939 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrScIn _chemical_formula_sum 'Li1 Zr1 Sc1 In1' _cell_volume 87.10061474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.75914003 1.75914004 1.75914004 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 3.51828007 3.51828007 3.51828007 1 Zr Zr3 1 5.27742011 5.27742011 5.27742010 1 [/CIF]
InLiScZr
F-43m
216
cubic
-43m
4,917.504216
false
[CIF] data_ScBe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08983463 _cell_length_b 3.08983463 _cell_length_c 5.57205550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBe2P _chemical_formula_sum 'Sc1 Be2 P1' _cell_volume 53.19684871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.38810186 1 Be Be1 1 1.54491731 1.54491731 1.35766085 1 P P2 1 0.00000000 0.00000000 2.48669609 1 Sc Sc3 1 1.54491731 1.54491731 4.12562445 1 [/CIF]
Be2PSc
P4mm
99
tetragonal
4mm
2,932.774297
false
[CIF] data_LiScTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12680821 _cell_length_b 5.12680821 _cell_length_c 5.12680821 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScTl2 _chemical_formula_sum 'Li1 Sc1 Tl2' _cell_volume 95.28536789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 5.43780128 5.43780128 5.43780128 1 Tl Tl2 1 3.62520085 3.62520085 3.62520085 1 Tl Tl3 1 1.81260042 1.81260042 1.81260042 1 [/CIF]
LiScTl2
F-43m
216
cubic
-43m
8,027.987666
false
[CIF] data_KFe4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10194549 _cell_length_b 5.10194549 _cell_length_c 5.10194549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KFe4Ru _chemical_formula_sum 'K1 Fe4 Ru1' _cell_volume 93.90580580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.69882410 2.69882410 4.51641640 1 Fe Fe1 1 2.69882410 4.51641640 2.69882410 1 Fe Fe2 1 4.51641640 2.69882410 2.69882410 1 Fe Fe3 1 4.51641640 4.51641640 4.51641640 1 K K4 1 0.00000000 0.00000000 0.00000000 1 Ru Ru5 1 1.80381013 1.80381013 1.80381013 1 [/CIF]
Fe4KRu
F-43m
216
cubic
-43m
6,428.635052
false
[CIF] data_MgMnCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20819795 _cell_length_b 3.20819795 _cell_length_c 9.27801984 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnCl2 _chemical_formula_sum 'Mg1 Mn1 Cl2' _cell_volume 95.49433546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60409898 1.60409898 6.17495948 1 Cl Cl1 1 1.60409898 1.60409898 3.10306036 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 4.63900992 1 [/CIF]
Cl2MgMn
P4/mmm
123
tetragonal
4/mmm
2,610.922981
false
[CIF] data_VTeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77906863 _cell_length_b 5.77906863 _cell_length_c 5.77906863 _cell_angle_alpha 148.96296810 _cell_angle_beta 148.96296810 _cell_angle_gamma 44.46581807 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTeRu _chemical_formula_sum 'V1 Te1 Ru1' _cell_volume 51.15535782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.25644687 1 Te Te1 1 0.00000000 -0.00000000 3.50283166 1 V V2 1 0.00000000 0.00000000 6.93955065 1 [/CIF]
RuTeV
I4mm
107
tetragonal
4mm
9,076.386892
false
[CIF] data_HfGeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32270897 _cell_length_b 6.32270897 _cell_length_c 6.32270897 _cell_angle_alpha 134.52457460 _cell_angle_beta 134.52457460 _cell_angle_gamma 66.26980751 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGeO4 _chemical_formula_sum 'Hf2 Ge2 O8' _cell_volume 126.48057359 _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 Hf Hf0 1 0.00000000 -0.00000000 5.29454724 1 Hf Hf1 1 2.44381037 0.00000000 2.64727362 1 Ge Ge2 1 0.00000000 0.00000000 -0.00000000 1 Ge Ge3 1 -0.00000000 2.44381037 2.64727362 1 O O4 1 1.31738241 3.29682971 1.77903670 1 O O5 1 1.59079103 -1.12642796 4.42631032 1 O O6 1 0.85301934 3.57023833 -0.86823692 1 O O7 1 1.12642796 -0.85301934 7.07358394 1 O O8 1 1.31738241 0.85301934 0.86823692 1 O O9 1 1.59079103 1.31738241 -1.77903670 1 O O10 1 0.85301934 1.12642796 3.51551054 1 O O11 1 1.12642796 1.59079103 6.16278416 1 [/CIF]
Ge2Hf2O8
I4_1/a
88
tetragonal
4/m
8,274.499014
false
[CIF] data_TiBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49267493 _cell_length_b 5.49267493 _cell_length_c 5.49267493 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBe2 _chemical_formula_sum 'Ti4 Be8' _cell_volume 165.71113484 _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 Be Be0 1 0.57268947 3.31902693 4.91998546 1 Be Be1 1 4.91998546 2.17364800 0.57268947 1 Be Be2 1 3.31902693 4.91998546 0.57268947 1 Be Be3 1 2.17364800 0.57268947 4.91998546 1 Be Be4 1 4.91998546 0.57268947 3.31902693 1 Be Be5 1 0.57268947 4.91998546 2.17364800 1 Be Be6 1 2.17364800 2.17364800 2.17364800 1 Be Be7 1 3.31902693 3.31902693 3.31902693 1 Ti Ti8 1 2.74633747 0.00000000 2.74633747 1 Ti Ti9 1 0.00000000 2.74633747 2.74633747 1 Ti Ti10 1 0.00000000 0.00000000 0.00000000 1 Ti Ti11 1 2.74633747 2.74633747 0.00000000 1 [/CIF]
Be8Ti4
Pa-3
205
cubic
m-3
2,641.106385
false
[CIF] data_VOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17680565 _cell_length_b 4.17680565 _cell_length_c 4.17680565 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VOsAu _chemical_formula_sum 'V1 Os1 Au1' _cell_volume 51.52497690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47672380 1.47672380 1.47672380 1 Os Os1 1 4.43017140 4.43017140 4.43017140 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuOsV
F-43m
216
cubic
-43m
14,120.246606
false
[CIF] data_CaYSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31754005 _cell_length_b 6.31754005 _cell_length_c 6.31754005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYSb4 _chemical_formula_sum 'Ca1 Y1 Sb4' _cell_volume 178.29083283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 5.58191317 5.58191317 3.35243765 1 Sb Sb2 1 5.58191317 3.35243765 5.58191317 1 Sb Sb3 1 3.35243765 5.58191317 5.58191317 1 Sb Sb4 1 3.35243765 3.35243765 3.35243765 1 Y Y5 1 6.70076312 6.70076312 6.70076312 1 [/CIF]
CaSb4Y
F-43m
216
cubic
-43m
5,737.432781
false