Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_ScTaBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84906567 _cell_length_b 4.84906567 _cell_length_c 4.84906567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaBi _chemical_formula_sum 'Sc1 Ta1 Bi1' _cell_volume 80.62304565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42880722 3.42880722 3.42880722 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.71440361 1.71440361 1.71440361 1 [/CIF]
BiScTa
F-43m
216
cubic
-43m
8,957.019478
false
[CIF] data_Si2AgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50630569 _cell_length_b 3.50630569 _cell_length_c 5.64532696 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2AgAu _chemical_formula_sum 'Si2 Ag1 Au1' _cell_volume 69.40466350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 0.00000000 0.00000000 2.82266348 1 Si Si2 1 1.75315285 1.75315285 4.13714755 1 Si Si3 1 1.75315285 1.75315285 1.50817941 1 [/CIF]
AgAuSi2
P4/mmm
123
tetragonal
4/mmm
8,637.232031
false
[CIF] data_NaAsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32985150 _cell_length_b 4.33675119 _cell_length_c 4.64185991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAsW2 _chemical_formula_sum 'Na1 As1 W2' _cell_volume 67.03188026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66492575 2.16837559 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 2.16837559 2.32092995 1 W W3 1 1.66492575 0.00000000 2.32092995 1 [/CIF]
AsNaW2
Pmmm
47
orthorhombic
mmm
11,533.805328
false
[CIF] data_BeCdHgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52670135 _cell_length_b 4.52670135 _cell_length_c 4.52670135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCdHgRu _chemical_formula_sum 'Be1 Cd1 Hg1 Ru1' _cell_volume 65.58892760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.60043061 1.60043061 1.60043061 1 Hg Hg2 1 4.80129183 4.80129183 4.80129183 1 Ru Ru3 1 3.20086122 3.20086122 3.20086122 1 [/CIF]
BeCdHgRu
F-43m
216
cubic
-43m
10,711.352935
false
[CIF] data_NbCrFe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25636831 _cell_length_b 6.25636831 _cell_length_c 10.26348791 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.23491533 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrFe6 _chemical_formula_sum 'Nb4 Cr4 Fe24' _cell_volume 379.30838986 _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 Cr Cr0 1 3.62264234 -2.49067620 0.00000000 1 Cr Cr1 1 3.62264234 2.49067620 0.00000000 1 Cr Cr2 1 0.00000000 0.00000000 7.68655928 1 Cr Cr3 1 0.00000000 0.00000000 2.57692863 1 Fe Fe4 1 3.62264234 -2.59099490 7.79606926 1 Fe Fe5 1 1.74507550 -1.29788908 9.02854440 1 Fe Fe6 1 5.50020918 1.29788908 9.02854440 1 Fe Fe7 1 3.62264234 2.59099490 7.79606926 1 Fe Fe8 1 5.50020918 -1.29788908 9.02854440 1 Fe Fe9 1 1.74507550 1.29788908 9.02854440 1 Fe Fe10 1 0.00000000 0.00000000 5.13174395 1 Fe Fe11 1 5.51891933 1.25991024 6.47236721 1 Fe Fe12 1 5.51891933 -1.25991024 6.47236721 1 Fe Fe13 1 3.62264234 -2.59099490 2.46741865 1 Fe Fe14 1 1.72636535 -1.25991024 3.79112070 1 Fe Fe15 1 5.51891933 1.25991024 3.79112070 1 Fe Fe16 1 3.62264234 2.59099490 2.46741865 1 Fe Fe17 1 5.51891933 -1.25991024 3.79112070 1 Fe Fe18 1 1.72636535 1.25991024 3.79112070 1 Fe Fe19 1 0.00000000 0.00000000 0.00000000 1 Fe Fe20 1 5.50020918 1.29788908 1.23494351 1 Fe Fe21 1 5.50020918 -1.29788908 1.23494351 1 Fe Fe22 1 3.62264234 0.00000000 5.13174395 1 Fe Fe23 1 1.72636535 1.25991024 6.47236721 1 Fe Fe24 1 1.72636535 -1.25991024 6.47236721 1 Fe Fe25 1 3.62264234 0.00000000 0.00000000 1 Fe Fe26 1 1.74507550 1.29788908 1.23494351 1 Fe Fe27 1 1.74507550 -1.29788908 1.23494351 1 Nb Nb28 1 3.62264234 -2.48709989 5.13174395 1 Nb Nb29 1 3.62264234 2.48709989 5.13174395 1 Nb Nb30 1 3.62264234 0.00000000 7.67860282 1 Nb Nb31 1 3.62264234 0.00000000 2.58488509 1 [/CIF]
Cr4Fe24Nb4
Cmmm
65
orthorhombic
mmm
8,404.908251
false
[CIF] data_SrPtCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04187261 _cell_length_b 5.04187261 _cell_length_c 5.04187261 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPtCl _chemical_formula_sum 'Sr1 Pt1 Cl1' _cell_volume 90.62762658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.56514231 3.56514231 3.56514231 1 Sr Sr2 1 1.78257116 1.78257115 1.78257116 1 [/CIF]
ClPtSr
F-43m
216
cubic
-43m
5,829.48211
false
[CIF] data_La2SiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23705270 _cell_length_b 5.85825372 _cell_length_c 5.85825372 _cell_angle_alpha 43.95819279 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SiRh _chemical_formula_sum 'La2 Si1 Rh1' _cell_volume 100.93530540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 2.11852635 0.00000000 1.20102616 1 La La1 1 0.00000000 0.00000000 4.23430581 1 Rh Rh2 1 2.11852635 0.00000000 8.90059112 1 Si Si3 1 0.00000000 -0.00000000 7.48101684 1 [/CIF]
La2RhSi
Amm2
38
orthorhombic
mm2
6,725.421111
false
[CIF] data_CoCuOsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16451011 _cell_length_b 4.16451011 _cell_length_c 4.16451011 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCuOsRu _chemical_formula_sum 'Co1 Cu1 Os1 Ru1' _cell_volume 51.07128259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.94475334 2.94475334 2.94475334 1 Os Os2 1 1.47237667 1.47237667 1.47237667 1 Ru Ru3 1 4.41713001 4.41713001 4.41713001 1 [/CIF]
CoCuOsRu
F-43m
216
cubic
-43m
13,453.676574
false
[CIF] data_ScTaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87746206 _cell_length_b 4.87746206 _cell_length_c 2.92348058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaPd2 _chemical_formula_sum 'Sc1 Ta1 Pd2' _cell_volume 69.54853928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43873103 0.00000000 1.46174029 1 Pd Pd1 1 0.00000000 2.43873103 1.46174029 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 2.43873103 2.43873103 0.00000000 1 [/CIF]
Pd2ScTa
P4/mmm
123
tetragonal
4/mmm
10,475.435061
false
[CIF] data_KGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47123232 _cell_length_b 4.47123232 _cell_length_c 3.92791769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGaNi _chemical_formula_sum 'K1 Ga1 Ni1' _cell_volume 68.00603941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 2.23561618 1.29073358 3.19258883 1 K K1 1 0.00000000 0.00000000 1.15867817 1 Ni Ni2 1 0.00000002 2.58146717 3.50456837 1 [/CIF]
GaKNi
P3m1
156
trigonal
3m
4,090.294129
false
[CIF] data_YAsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61477187 _cell_length_b 3.61477187 _cell_length_c 6.79030439 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAsSe2 _chemical_formula_sum 'Y1 As1 Se2' _cell_volume 88.72602615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 1.80738594 1.80738594 1.88041265 1 Se Se2 1 1.80738594 1.80738594 4.90989174 1 Y Y3 1 0.00000000 0.00000000 3.39515220 1 [/CIF]
AsSe2Y
P4/mmm
123
tetragonal
4/mmm
6,021.617709
false
[CIF] data_CoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37276530 _cell_length_b 4.37276530 _cell_length_c 4.37276530 _cell_angle_alpha 58.43617154 _cell_angle_beta 58.43617154 _cell_angle_gamma 58.43617154 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoGe _chemical_formula_sum 'Co2 Ge2' _cell_volume 57.00679462 _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 1.15999577 1 Co Co1 1 -0.00000000 0.00000000 9.67589714 1 Ge Ge2 1 0.00000000 -0.00000000 3.56770160 1 Ge Ge3 1 -0.00000000 0.00000000 7.26819132 1 [/CIF]
Co2Ge2
R-3m
166
trigonal
-3m
7,665.13648
false
[CIF] data_VCuPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34345258 _cell_length_b 4.34345258 _cell_length_c 4.34345258 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCuPd2 _chemical_formula_sum 'V1 Cu1 Pd2' _cell_volume 57.94156938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60692716 4.60692716 4.60692716 1 Pd Pd1 1 1.53564239 1.53564239 1.53564238 1 Pd Pd2 1 3.07128477 3.07128477 3.07128477 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuPd2V
F-43m
216
cubic
-43m
9,380.831536
false
[CIF] data_NaCdOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80230441 _cell_length_b 5.80230441 _cell_length_c 5.80230441 _cell_angle_alpha 151.53724237 _cell_angle_beta 132.94407680 _cell_angle_gamma 55.91575452 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdOs2 _chemical_formula_sum 'Na1 Cd1 Os2' _cell_volume 67.73332072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12513197 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 -0.00000000 2.31626000 2.39564259 1 Os Os3 1 1.42642853 -0.00000000 2.72948938 1 [/CIF]
CdNaOs2
Immm
71
orthorhombic
mmm
12,646.75866
false
[CIF] data_HfNiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32953476 _cell_length_b 4.32953476 _cell_length_c 4.32953476 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNiGe _chemical_formula_sum 'Hf1 Ni1 Ge1' _cell_volume 57.38636222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06144339 3.06144339 3.06144339 1 Hf Hf1 1 4.59216508 4.59216508 4.59216508 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeHfNi
F-43m
216
cubic
-43m
8,965.089258
false
[CIF] data_CaZrTlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96887168 _cell_length_b 4.96887168 _cell_length_c 4.96887168 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrTlIr _chemical_formula_sum 'Ca1 Zr1 Tl1 Ir1' _cell_volume 86.74777538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 5.27028429 5.27028429 5.27028429 1 Tl Tl2 1 1.75676143 1.75676143 1.75676143 1 Zr Zr3 1 3.51352286 3.51352286 3.51352286 1 [/CIF]
CaIrTlZr
F-43m
216
cubic
-43m
10,105.185853
false
[CIF] data_AgBiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53613041 _cell_length_b 4.53613041 _cell_length_c 4.53613041 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBiOs _chemical_formula_sum 'Ag1 Bi1 Os1' _cell_volume 65.99964444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20752857 3.20752857 3.20752857 1 Os Os2 1 1.60376429 1.60376429 1.60376429 1 [/CIF]
AgBiOs
F-43m
216
cubic
-43m
12,758.005476
false
[CIF] data_BaMg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35495179 _cell_length_b 3.35495179 _cell_length_c 8.56159369 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg2Os _chemical_formula_sum 'Ba1 Mg2 Os1' _cell_volume 96.36674305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.67747590 1.67747590 2.87977860 1 Mg Mg2 1 1.67747590 1.67747590 5.68181509 1 Os Os3 1 0.00000000 0.00000000 4.28079685 1 [/CIF]
BaMg2Os
P4/mmm
123
tetragonal
4/mmm
6,481.904226
false
[CIF] data_MgSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34778459 _cell_length_b 3.34778459 _cell_length_c 6.72111041 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi _chemical_formula_sum 'Mg2 Si2' _cell_volume 75.32793146 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.67389229 0.00000000 4.43578191 1 Mg Mg1 1 0.00000000 1.67389229 2.28532850 1 Si Si2 1 1.67389229 0.00000000 0.47743435 1 Si Si3 1 0.00000000 1.67389229 6.24367606 1 [/CIF]
Mg2Si2
P4/nmm
129
tetragonal
4/mmm
2,309.806476
false
[CIF] data_NaYTcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02523441 _cell_length_b 5.02523441 _cell_length_c 5.02523441 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYTcPb _chemical_formula_sum 'Na1 Y1 Tc1 Pb1' _cell_volume 89.73336984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.55337733 3.55337733 3.55337733 1 Tc Tc2 1 1.77668867 1.77668867 1.77668867 1 Y Y3 1 5.33006600 5.33006600 5.33006600 1 [/CIF]
NaPbTcY
F-43m
216
cubic
-43m
7,735.231075
false
[CIF] data_CaZrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67220691 _cell_length_b 4.67220691 _cell_length_c 4.67220691 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrPd _chemical_formula_sum 'Ca1 Zr1 Pd1' _cell_volume 72.11925050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65187460 1.65187459 1.65187460 1 Zr Zr2 1 4.95562379 4.95562379 4.95562379 1 [/CIF]
CaPdZr
F-43m
216
cubic
-43m
5,473.527044
false
[CIF] data_CaTaP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51204126 _cell_length_b 3.51204126 _cell_length_c 6.11687167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaP _chemical_formula_sum 'Ca1 Ta1 P1' _cell_volume 65.34001348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.02767798 0.27729235 1 P P1 1 0.00000000 0.00000000 2.22665102 1 Ta Ta2 1 1.75602061 1.01383899 3.61292829 1 [/CIF]
CaPTa
P3m1
156
trigonal
3m
6,404.272482
false
[CIF] data_TlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08582484 _cell_length_b 3.08582484 _cell_length_c 4.04540017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTc _chemical_formula_sum 'Tl1 Tc1' _cell_volume 38.52157449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 1.54291242 1.54291242 2.02270008 1 [/CIF]
TcTl
P4/mmm
123
tetragonal
4/mmm
13,073.81824
false
[CIF] data_ScTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78970894 _cell_length_b 4.78970894 _cell_length_c 4.78970894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTe3 _chemical_formula_sum 'Sc1 Te3' _cell_volume 109.88220589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 0.00000000 2.39485447 2.39485447 1 Te Te2 1 2.39485447 0.00000000 2.39485447 1 Te Te3 1 2.39485447 2.39485447 0.00000000 1 [/CIF]
ScTe3
Pm-3m
221
cubic
m-3m
6,464.244116
false
[CIF] data_Cu2TeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57708432 _cell_length_b 3.84020951 _cell_length_c 6.15119228 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2TeBr _chemical_formula_sum 'Cu2 Te1 Br1' _cell_volume 84.49741038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.78854216 0.00000000 3.07559614 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 0.00000000 1.92010476 3.07559614 1 Te Te3 1 1.78854216 1.92010476 0.00000000 1 [/CIF]
BrCu2Te
Pmmm
47
orthorhombic
mmm
6,575.464585
false
[CIF] data_BaMg30BiO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73172764 _cell_length_b 8.73172764 _cell_length_c 8.89907021 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg30BiO32 _chemical_formula_sum 'Ba1 Mg30 Bi1 O32' _cell_volume 678.49241141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.36586382 4.36586382 0.00000000 1 Mg Mg1 1 4.36586382 0.00000000 0.00000000 1 Mg Mg2 1 4.36586382 0.00000000 4.44953510 1 Mg Mg3 1 0.00000000 4.36586382 0.00000000 1 Mg Mg4 1 0.00000000 4.36586382 4.44953510 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 Mg Mg6 1 0.00000000 0.00000000 4.44953510 1 Mg Mg7 1 4.36586382 6.67701085 2.22299833 1 Mg Mg8 1 4.36586382 6.67701085 6.67607188 1 Mg Mg9 1 4.36586382 2.05471679 2.22299833 1 Mg Mg10 1 4.36586382 2.05471679 6.67607188 1 Mg Mg11 1 0.00000000 6.56890542 2.22267672 1 Mg Mg12 1 0.00000000 6.56890542 6.67639349 1 Mg Mg13 1 0.00000000 2.16282222 2.22267672 1 Mg Mg14 1 0.00000000 2.16282222 6.67639349 1 Mg Mg15 1 6.67701085 4.36586382 2.22299833 1 Mg Mg16 1 6.67701085 4.36586382 6.67607188 1 Mg Mg17 1 6.56890542 0.00000000 2.22267672 1 Mg Mg18 1 6.56890542 0.00000000 6.67639349 1 Mg Mg19 1 2.05471679 4.36586382 2.22299833 1 Mg Mg20 1 2.05471679 4.36586382 6.67607188 1 Mg Mg21 1 2.16282222 0.00000000 2.22267672 1 Mg Mg22 1 2.16282222 0.00000000 6.67639349 1 Mg Mg23 1 6.62347697 6.62347697 0.00000000 1 Mg Mg24 1 6.61454415 6.61454415 4.44953510 1 Mg Mg25 1 6.62347697 2.10825067 0.00000000 1 Mg Mg26 1 6.61454415 2.11718349 4.44953510 1 Mg Mg27 1 2.10825067 6.62347697 0.00000000 1 Mg Mg28 1 2.11718349 6.61454415 4.44953510 1 Mg Mg29 1 2.10825067 2.10825067 0.00000000 1 Mg Mg30 1 2.11718349 2.11718349 4.44953510 1 Bi Bi31 1 4.36586382 4.36586382 4.44953510 1 O O32 1 6.81067439 4.36586382 0.00000000 1 O O33 1 6.72802247 4.36586382 4.44953510 1 O O34 1 6.60337811 0.00000000 0.00000000 1 O O35 1 6.58452107 0.00000000 4.44953510 1 O O36 1 1.92105325 4.36586382 0.00000000 1 O O37 1 2.00370517 4.36586382 4.44953510 1 O O38 1 2.12834953 0.00000000 0.00000000 1 O O39 1 2.14720657 0.00000000 4.44953510 1 O O40 1 6.53742571 6.53742571 2.22557746 1 O O41 1 6.53742571 6.53742571 6.67349275 1 O O42 1 6.53742571 2.19430193 2.22557746 1 O O43 1 6.53742571 2.19430193 6.67349275 1 O O44 1 2.19430193 6.53742571 2.22557746 1 O O45 1 2.19430193 6.53742571 6.67349275 1 O O46 1 2.19430193 2.19430193 2.22557746 1 O O47 1 2.19430193 2.19430193 6.67349275 1 O O48 1 4.36586382 4.36586382 2.30026192 1 O O49 1 4.36586382 4.36586382 6.59880829 1 O O50 1 4.36586382 0.00000000 2.25500882 1 O O51 1 4.36586382 0.00000000 6.64406139 1 O O52 1 0.00000000 4.36586382 2.25500882 1 O O53 1 0.00000000 4.36586382 6.64406139 1 O O54 1 0.00000000 0.00000000 2.23567603 1 O O55 1 0.00000000 0.00000000 6.66339418 1 O O56 1 4.36586382 6.81067439 0.00000000 1 O O57 1 4.36586382 6.72802247 4.44953510 1 O O58 1 4.36586382 1.92105325 0.00000000 1 O O59 1 4.36586382 2.00370517 4.44953510 1 O O60 1 0.00000000 6.60337811 0.00000000 1 O O61 1 0.00000000 6.58452107 4.44953510 1 O O62 1 0.00000000 2.12834953 0.00000000 1 O O63 1 0.00000000 2.14720657 4.44953510 1 [/CIF]
BaBiMg30O32
P4/mmm
123
tetragonal
4/mmm
3,885.088621
true
[CIF] data_SrTlGaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24233070 _cell_length_b 5.24233070 _cell_length_c 5.24233070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlGaAu _chemical_formula_sum 'Sr1 Tl1 Ga1 Au1' _cell_volume 101.87280044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85344379 1.85344379 1.85344380 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.70688759 3.70688759 3.70688759 1 Tl Tl3 1 5.56033139 5.56033139 5.56033139 1 [/CIF]
AuGaSrTl
F-43m
216
cubic
-43m
9,106.761876
false
[CIF] data_Ti2CoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73680666 _cell_length_b 4.05909980 _cell_length_c 5.16306024 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.66062006 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CoOs _chemical_formula_sum 'Ti2 Co1 Os1' _cell_volume 56.70228995 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.97967295 0.00000000 2.55209452 1 Ti Ti2 1 0.10785504 2.02954990 3.83806678 1 Ti Ti3 1 1.85149087 2.02954990 1.26612227 1 [/CIF]
CoOsTi2
P2/m
10
monoclinic
2/m
10,100.39042
false
[CIF] data_Zn2IrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33949637 _cell_length_b 4.33949637 _cell_length_c 4.33949637 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2IrRh _chemical_formula_sum 'Zn2 Ir1 Rh1' _cell_volume 57.78338643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60273096 4.60273097 4.60273097 1 Rh Rh1 1 3.06848731 3.06848731 3.06848731 1 Zn Zn2 1 1.53424365 1.53424365 1.53424366 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRhZn2
F-43m
216
cubic
-43m
12,238.717263
false
[CIF] data_K2ZrAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81401677 _cell_length_b 3.81401677 _cell_length_c 10.48296817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ZrAs _chemical_formula_sum 'K2 Zr1 As1' _cell_volume 152.49284385 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.77410493 1 K K1 1 1.90700839 1.90700839 9.82854393 1 K K2 1 0.00000000 0.00000000 3.27851643 1 Zr Zr3 1 1.90700839 1.90700839 6.32625503 1 [/CIF]
AsK2Zr
P4mm
99
tetragonal
4mm
2,660.7148
false
[CIF] data_BPd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53680339 _cell_length_b 4.53680339 _cell_length_c 4.53680339 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPd2Pb _chemical_formula_sum 'B1 Pd2 Pb1' _cell_volume 66.02902398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 4.81200666 4.81200666 4.81200666 1 Pd Pd2 1 3.20800444 3.20800444 3.20800444 1 Pd Pd3 1 1.60400222 1.60400222 1.60400222 1 [/CIF]
BPbPd2
F-43m
216
cubic
-43m
10,835.309599
false
[CIF] data_VCdTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44518072 _cell_length_b 4.44518072 _cell_length_c 4.44518072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCdTc2 _chemical_formula_sum 'V1 Cd1 Tc2' _cell_volume 62.10881853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57160872 1.57160872 1.57160872 1 Tc Tc1 1 4.71482614 4.71482614 4.71482614 1 Tc Tc2 1 3.14321743 3.14321743 3.14321743 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdTc2V
F-43m
216
cubic
-43m
9,656.091359
false
[CIF] data_KLiFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97376239 _cell_length_b 2.97376239 _cell_length_c 7.78430699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiFe2 _chemical_formula_sum 'K1 Li1 Fe2' _cell_volume 68.83867206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.48688120 1.48688120 0.31201036 1 Fe Fe1 1 0.00000000 0.00000000 1.18294867 1 K K2 1 1.48688120 1.48688120 3.68712544 1 Li Li3 1 0.00000000 0.00000000 6.49437610 1 [/CIF]
Fe2KLi
P4mm
99
tetragonal
4mm
3,804.775089
false
[CIF] data_CaYPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89910896 _cell_length_b 4.89910896 _cell_length_c 4.89910896 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYPt _chemical_formula_sum 'Ca1 Y1 Pt1' _cell_volume 83.14503089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.73209659 1.73209659 1.73209659 1 Y Y2 1 3.46419317 3.46419317 3.46419317 1 [/CIF]
CaPtY
F-43m
216
cubic
-43m
6,472.152568
false
[CIF] data_CoO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62228600 _cell_length_b 2.62228600 _cell_length_c 2.62228600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoO _chemical_formula_sum 'Co1 O1' _cell_volume 18.03184514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31114300 1.31114300 1.31114300 1 O O1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoO
Pm-3m
221
cubic
m-3m
6,900.486355
false
[CIF] data_MgGeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38365207 _cell_length_b 4.52620441 _cell_length_c 6.73431601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGeSb2 _chemical_formula_sum 'Mg1 Ge1 Sb2' _cell_volume 103.13672933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69182604 2.26310221 3.29237733 1 Mg Mg1 1 0.00000000 0.00000000 5.16857872 1 Sb Sb2 1 1.69182604 2.26310221 6.13232156 1 Sb Sb3 1 0.00000000 0.00000000 2.24251248 1 [/CIF]
GeMgSb2
Pmm2
25
orthorhombic
mm2
5,481.611032
false
[CIF] data_Ca3TiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86627953 _cell_length_b 5.86627953 _cell_length_c 5.86627953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3TiHg _chemical_formula_sum 'Ca3 Ti1 Hg1' _cell_volume 201.87765912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.93313976 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 2.93313976 1 Ca Ca2 1 2.93313976 0.00000000 0.00000000 1 Hg Hg3 1 2.93313976 2.93313976 2.93313976 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca3HgTi
Pm-3m
221
cubic
m-3m
3,032.657559
false
[CIF] data_BeSi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19895495 _cell_length_b 3.19895495 _cell_length_c 7.57686071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.47485178 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSi2Pb _chemical_formula_sum 'Be1 Si2 Pb1' _cell_volume 74.35307508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 0.00000000 3.78843035 1 Si Si2 1 1.91457591 0.00000000 6.32671832 1 Si Si3 1 1.91457591 0.00000000 1.25014239 1 [/CIF]
BePbSi2
Cmmm
65
orthorhombic
mmm
6,083.176981
false
[CIF] data_LaFePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.56836764 _cell_length_b 9.56836764 _cell_length_c 9.56836764 _cell_angle_alpha 17.51688409 _cell_angle_beta 17.51688409 _cell_angle_gamma 17.51688409 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFePt2 _chemical_formula_sum 'La1 Fe1 Pt2' _cell_volume 69.26411574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 -0.00000000 14.12895909 1 Pt Pt2 1 -0.00000000 0.00000000 20.81299352 1 Pt Pt3 1 0.00000000 0.00000000 7.44492466 1 [/CIF]
FeLaPt2
R-3m
166
trigonal
-3m
14,022.845162
false
[CIF] data_LaAs2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94475696 _cell_length_b 3.94475696 _cell_length_c 5.71976316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAs2P _chemical_formula_sum 'La1 As2 P1' _cell_volume 89.00584909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97237848 1.97237848 1.22660001 1 As As1 1 1.97237848 1.97237848 4.49316315 1 La La2 1 0.00000000 0.00000000 2.85988158 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2LaP
P4/mmm
123
tetragonal
4/mmm
5,964.908566
false
[CIF] data_LaMn2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42997523 _cell_length_b 3.42997523 _cell_length_c 7.29434093 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMn2In _chemical_formula_sum 'La1 Mn2 In1' _cell_volume 85.81595189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 3.64717046 1 Mn Mn2 1 1.71498761 1.71498761 5.77589753 1 Mn Mn3 1 1.71498761 1.71498761 1.51844340 1 [/CIF]
InLaMn2
P4/mmm
123
tetragonal
4/mmm
7,036.519065
false
[CIF] data_SrYCdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10718732 _cell_length_b 5.10718732 _cell_length_c 5.10718732 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYCdPt _chemical_formula_sum 'Sr1 Y1 Cd1 Pt1' _cell_volume 94.19554529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.61132679 3.61132679 3.61132679 1 Pt Pt1 1 1.80566339 1.80566340 1.80566340 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.41699019 5.41699019 5.41699018 1 [/CIF]
CdPtSrY
F-43m
216
cubic
-43m
8,532.627822
false
[CIF] data_AlTePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61104032 _cell_length_b 4.61104032 _cell_length_c 4.61104032 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTePd _chemical_formula_sum 'Al1 Te1 Pd1' _cell_volume 69.32370447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.26049788 3.26049788 3.26049788 1 Te Te2 1 1.63024894 1.63024894 1.63024894 1 [/CIF]
AlPdTe
F-43m
216
cubic
-43m
6,251.87668
false
[CIF] data_CdRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72313880 _cell_length_b 2.72313880 _cell_length_c 4.68794816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdRe _chemical_formula_sum 'Cd1 Re1' _cell_volume 34.76340885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 1.36156940 1.36156940 2.34397408 1 [/CIF]
CdRe
P4/mmm
123
tetragonal
4/mmm
14,264.045772
false
[CIF] data_CoIrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80464495 _cell_length_b 3.80464495 _cell_length_c 3.91764632 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoIrPd2 _chemical_formula_sum 'Co1 Ir1 Pd2' _cell_volume 56.70919665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.90232248 1.90232248 0.00000000 1 Pd Pd2 1 1.90232248 0.00000000 1.95882316 1 Pd Pd3 1 0.00000000 1.90232248 1.95882316 1 [/CIF]
CoIrPd2
P4/mmm
123
tetragonal
4/mmm
13,586.867294
false
[CIF] data_YCdBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47423318 _cell_length_b 5.47423318 _cell_length_c 5.47423318 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCdBi2 _chemical_formula_sum 'Y1 Cd1 Bi2' _cell_volume 115.99916925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.93543370 1.93543370 1.93543370 1 Bi Bi1 1 5.80630110 5.80630110 5.80630110 1 Cd Cd2 1 3.87086740 3.87086740 3.87086740 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2CdY
Fm-3m
225
cubic
m-3m
8,865.018065
false
[CIF] data_LaTaZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85107589 _cell_length_b 4.85107589 _cell_length_c 4.85107589 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaZnIr _chemical_formula_sum 'La1 Ta1 Zn1 Ir1' _cell_volume 80.72335605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43022866 3.43022866 3.43022866 1 La La1 1 5.14534299 5.14534299 5.14534299 1 Ta Ta2 1 1.71511433 1.71511433 1.71511433 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrLaTaZn
F-43m
216
cubic
-43m
11,878.580279
false
[CIF] data_SrAlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74583729 _cell_length_b 3.74583729 _cell_length_c 6.73203445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAlAu2 _chemical_formula_sum 'Sr1 Al1 Au2' _cell_volume 94.45917480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.67086070 1 Au Au1 1 1.87291864 1.87291864 6.39642954 1 Au Au2 1 0.00000000 0.00000000 1.51424486 1 Sr Sr3 1 1.87291864 1.87291864 3.24855097 1 [/CIF]
AlAu2Sr
P4mm
99
tetragonal
4mm
8,939.753062
false
[CIF] data_KZr2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14151389 _cell_length_b 5.44250149 _cell_length_c 5.57982386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZr2Ge _chemical_formula_sum 'K1 Zr2 Ge1' _cell_volume 95.40212108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57075695 0.00000000 2.78991193 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.72125074 2.78991193 1 Zr Zr3 1 1.57075695 2.72125074 0.00000000 1 [/CIF]
GeKZr2
Pmmm
47
orthorhombic
mmm
5,120.513448
false
[CIF] data_BaTePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15406777 _cell_length_b 5.15406777 _cell_length_c 5.15406777 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTePd2 _chemical_formula_sum 'Ba1 Te1 Pd2' _cell_volume 96.81337851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64447627 3.64447627 3.64447627 1 Pd Pd1 1 5.46671441 5.46671441 5.46671441 1 Pd Pd2 1 1.82223814 1.82223814 1.82223814 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPd2Te
Fm-3m
225
cubic
m-3m
8,194.639836
false
[CIF] data_InAgW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37779866 _cell_length_b 5.37779866 _cell_length_c 5.37779866 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAgW4 _chemical_formula_sum 'In1 Ag1 W4' _cell_volume 109.97617680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.90133895 1.90133895 1.90133895 1 W W2 1 2.84631579 2.84631579 4.75904001 1 W W3 1 2.84631579 4.75904001 2.84631579 1 W W4 1 4.75904001 2.84631579 2.84631579 1 W W5 1 4.75904001 4.75904001 4.75904001 1 [/CIF]
AgInW4
F-43m
216
cubic
-43m
14,465.616
false
[CIF] data_TaSnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28887078 _cell_length_b 5.55134298 _cell_length_c 5.55134298 _cell_angle_alpha 39.13557260 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSnTe2 _chemical_formula_sum 'Ta1 Sn1 Te2' _cell_volume 102.87191526 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 0.00000000 -0.00000000 4.83365030 1 Ta Ta1 1 2.64443539 -0.00000000 0.77567204 1 Te Te2 1 0.00000000 -0.00000000 1.83994042 1 Te Te3 1 2.64443539 -0.00000000 8.21617595 1 [/CIF]
SnTaTe2
Amm2
38
orthorhombic
mm2
8,956.614582
false
[CIF] data_Y2SbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44733649 _cell_length_b 3.44733649 _cell_length_c 7.98714815 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2SbRu _chemical_formula_sum 'Y2 Sb1 Ru1' _cell_volume 94.92029808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 3.99357408 1 Y Y2 1 1.72366825 1.72366825 6.31773563 1 Y Y3 1 1.72366825 1.72366825 1.66941253 1 [/CIF]
RuSbY2
P4/mmm
123
tetragonal
4/mmm
7,008.889579
false
[CIF] data_KVOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72929976 _cell_length_b 3.65049021 _cell_length_c 8.09879116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVOs2 _chemical_formula_sum 'K1 V1 Os2' _cell_volume 80.69054062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.36464988 1.82524511 2.78315282 1 Os Os2 1 1.36464988 1.82524511 5.31563834 1 V V3 1 0.00000000 0.00000000 4.04939558 1 [/CIF]
KOs2V
Pmmm
47
orthorhombic
mmm
9,682.464545
false
[CIF] data_Tl2IrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11863815 _cell_length_b 3.11863815 _cell_length_c 8.83124413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2IrPt _chemical_formula_sum 'Tl2 Ir1 Pt1' _cell_volume 85.89183182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 4.71467095 1 Pt Pt1 1 1.55931907 1.55931907 6.25053461 1 Tl Tl2 1 0.00000000 0.00000000 8.47799436 1 Tl Tl3 1 1.55931907 1.55931907 2.63491040 1 [/CIF]
IrPtTl2
P4mm
99
tetragonal
4mm
15,390.303379
false
[CIF] data_Si2PbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85415391 _cell_length_b 4.85415391 _cell_length_c 4.85415391 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2PbAu _chemical_formula_sum 'Si2 Pb1 Au1' _cell_volume 80.87711075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.43240514 3.43240514 3.43240514 1 Si Si2 1 5.14860772 5.14860772 5.14860772 1 Si Si3 1 1.71620257 1.71620257 1.71620257 1 [/CIF]
AuPbSi2
Fm-3m
225
cubic
m-3m
9,451.481514
false
[CIF] data_VCuOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40549968 _cell_length_b 4.40549968 _cell_length_c 2.86252157 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.88243744 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCuOs2 _chemical_formula_sum 'V1 Cu1 Os2' _cell_volume 54.15864812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.74602376 0.00000000 0.00000000 1 Os Os1 1 1.37301188 -1.72248229 1.43126079 1 Os Os2 1 1.37301188 1.72248229 1.43126079 1 V V3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
CuOs2V
Cmmm
65
orthorhombic
mmm
15,175.409434
false
[CIF] data_LiSc4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98100318 _cell_length_b 5.98100318 _cell_length_c 5.98100318 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSc4Pb _chemical_formula_sum 'Li1 Sc4 Pb1' _cell_volume 151.28891320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.11460396 2.11460396 2.11460396 1 Sc Sc2 1 3.17548412 3.17548412 5.28293170 1 Sc Sc3 1 3.17548412 5.28293170 3.17548412 1 Sc Sc4 1 5.28293170 3.17548412 3.17548412 1 Sc Sc5 1 5.28293170 5.28293170 5.28293170 1 [/CIF]
LiPbSc4
F-43m
216
cubic
-43m
4,324.135028
false
[CIF] data_Ag5B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42459130 _cell_length_b 7.42459130 _cell_length_c 4.66633650 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 156.48426476 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag5B _chemical_formula_sum 'Ag5 B1' _cell_volume 102.63489472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51295491 4.79023425 2.33316825 1 Ag Ag1 1 1.51295491 -4.79023425 2.33316825 1 Ag Ag2 1 1.51295491 0.00000000 2.33316825 1 Ag Ag3 1 1.51295491 -1.75420567 0.00000000 1 Ag Ag4 1 1.51295491 1.75420567 0.00000000 1 B B5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag5B
Cmmm
65
orthorhombic
mmm
8,900.958013
false
[CIF] data_K2MgMo2(H2O5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01107238 _cell_length_b 6.55137709 _cell_length_c 7.96741341 _cell_angle_alpha 111.34790547 _cell_angle_beta 96.76054273 _cell_angle_gamma 109.12012160 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MgMo2(H2O5)2 _chemical_formula_sum 'K2 Mg1 Mo2 H4 O10' _cell_volume 265.91528213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.24760210 3.51300864 1.75803631 1 K K1 1 2.67964356 -0.71792256 5.38862592 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 -0.14104948 1.53711539 5.43924508 1 Mo Mo4 1 3.06829514 1.25797069 1.70741715 1 H H5 1 3.41658955 4.40097836 2.02629557 1 H H6 1 -0.48934390 -1.60589228 5.12036666 1 H H7 1 0.12331997 -0.48414999 2.68152844 1 H H8 1 2.80392568 3.27923606 4.46513379 1 O O9 1 -0.18152815 2.98753947 4.43711602 1 O O10 1 3.10877381 -0.19245340 2.70954621 1 O O11 1 0.09572078 0.07903701 4.40318402 1 O O12 1 2.83152487 2.71604906 2.74347821 1 O O13 1 1.26800073 1.59260230 6.58570285 1 O O14 1 1.65924492 1.20248378 0.56095939 1 O O15 1 -1.69911598 1.36830504 6.36107539 1 O O16 1 4.62636163 1.42678103 0.78558684 1 O O17 1 -2.01455442 5.18168755 1.83830398 1 O O18 1 4.94180008 -2.38660147 5.30835825 1 [/CIF]
H4K2MgMo2O10
P-1
2
triclinic
-1
2,862.828135
false
[CIF] data_LaSn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63251532 _cell_length_b 3.63251532 _cell_length_c 7.60446450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSn2W _chemical_formula_sum 'La1 Sn2 W1' _cell_volume 100.34218321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 5.50056993 1 Sn Sn1 1 1.81625766 1.81625766 0.35545442 1 Sn Sn2 1 0.00000000 0.00000000 2.20365503 1 W W3 1 1.81625766 1.81625766 3.34701745 1 [/CIF]
LaSn2W
P4mm
99
tetragonal
4mm
9,270.045927
false
[CIF] data_LaCr2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68467570 _cell_length_b 3.68467570 _cell_length_c 6.32291508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCr2Te _chemical_formula_sum 'La1 Cr2 Te1' _cell_volume 85.84517485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84233785 1.84233785 0.99382827 1 Cr Cr1 1 1.84233785 1.84233785 5.32908681 1 La La2 1 0.00000000 0.00000000 3.16145754 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2LaTe
P4/mmm
123
tetragonal
4/mmm
7,166.691153
false
[CIF] data_CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58684972 _cell_length_b 4.58684972 _cell_length_c 4.58684972 _cell_angle_alpha 34.79864994 _cell_angle_beta 34.79864994 _cell_angle_gamma 34.79864994 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPt _chemical_formula_sum 'Cu1 Pt1' _cell_volume 28.05400608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 -0.00000000 -0.00000000 6.45711150 1 [/CIF]
CuPt
R-3m
166
trigonal
-3m
15,308.519564
false
[CIF] data_KInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42798520 _cell_length_b 5.42798520 _cell_length_c 5.42798520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KInHg _chemical_formula_sum 'K1 In1 Hg1' _cell_volume 113.08394889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.83816514 3.83816514 3.83816514 1 In In1 1 5.75724771 5.75724771 5.75724771 1 K K2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgInK
F-43m
216
cubic
-43m
5,205.61553
false
[CIF] data_LiCaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32914086 _cell_length_b 5.32914086 _cell_length_c 5.32914086 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaSn2 _chemical_formula_sum 'Li1 Ca1 Sn2' _cell_volume 107.01794351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.65240746 5.65240746 5.65240746 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.88413582 1.88413582 1.88413582 1 Sn Sn3 1 3.76827164 3.76827164 3.76827164 1 [/CIF]
CaLiSn2
F-43m
216
cubic
-43m
4,413.484842
false
[CIF] data_KSi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32554783 _cell_length_b 4.32554783 _cell_length_c 4.45349792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSi2As _chemical_formula_sum 'K1 Si2 As1' _cell_volume 83.32656729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16277391 2.16277391 0.00000000 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 0.00000000 2.16277391 2.22674896 1 Si Si3 1 2.16277391 0.00000000 2.22674896 1 [/CIF]
AsKSi2
P4/mmm
123
tetragonal
4/mmm
3,391.57903
false
[CIF] data_BaYCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95235024 _cell_length_b 4.95235024 _cell_length_c 4.95235024 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYCo _chemical_formula_sum 'Ba1 Y1 Co1' _cell_volume 85.88534348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.50184044 3.50184044 3.50184044 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.25276066 5.25276066 5.25276066 1 [/CIF]
BaCoY
F-43m
216
cubic
-43m
5,513.506018
false
[CIF] data_BaAgSeF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40038516 _cell_length_b 4.40038516 _cell_length_c 9.49231462 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAgSeF _chemical_formula_sum 'Ba2 Ag2 Se2 F2' _cell_volume 183.80338578 _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 Ba Ba0 1 0.00000000 2.20019258 7.97131378 1 Ba Ba1 1 2.20019258 0.00000000 1.52100084 1 Ag Ag2 1 2.20019258 2.20019258 4.74615731 1 Ag Ag3 1 0.00000000 0.00000000 4.74615731 1 Se Se4 1 0.00000000 2.20019258 3.03033848 1 Se Se5 1 2.20019258 0.00000000 6.46197614 1 F F6 1 2.20019258 2.20019258 0.00000000 1 F F7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Ba2F2Se2
P4/nmm
129
tetragonal
4/mmm
6,200.320647
false
[CIF] data_MgTl2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97505666 _cell_length_b 4.97505666 _cell_length_c 4.97505666 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTl2B _chemical_formula_sum 'Mg1 Tl2 B1' _cell_volume 87.07211564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 3.51789630 3.51789630 3.51789630 1 Tl Tl2 1 5.27684446 5.27684446 5.27684446 1 Tl Tl3 1 1.75894815 1.75894815 1.75894815 1 [/CIF]
BMgTl2
Fm-3m
225
cubic
m-3m
8,465.217514
false
[CIF] data_LaHfAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86220469 _cell_length_b 4.86220469 _cell_length_c 4.86220469 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfAl _chemical_formula_sum 'La1 Hf1 Al1' _cell_volume 81.28019123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 5.15714687 5.15714687 5.15714687 1 La La2 1 3.43809791 3.43809791 3.43809791 1 [/CIF]
AlHfLa
F-43m
216
cubic
-43m
7,035.557714
false
[CIF] data_MgBeHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58979845 _cell_length_b 4.58979845 _cell_length_c 4.58979845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeHgW _chemical_formula_sum 'Mg1 Be1 Hg1 W1' _cell_volume 68.37004216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.86821642 4.86821642 4.86821642 1 Mg Mg2 1 1.62273881 1.62273881 1.62273881 1 W W3 1 3.24547761 3.24547761 3.24547761 1 [/CIF]
BeHgMgW
F-43m
216
cubic
-43m
10,146.044872
false
[CIF] data_CaYAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91672435 _cell_length_b 4.91672435 _cell_length_c 4.91672435 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYAgOs _chemical_formula_sum 'Ca1 Y1 Ag1 Os1' _cell_volume 84.04513612 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47664913 3.47664913 3.47664913 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.73832456 1.73832457 1.73832457 1 Y Y3 1 5.21497370 5.21497370 5.21497370 1 [/CIF]
AgCaOsY
F-43m
216
cubic
-43m
8,438.161462
false
[CIF] data_MgTlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04139726 _cell_length_b 5.04139726 _cell_length_c 5.04139726 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlPb _chemical_formula_sum 'Mg1 Tl1 Pb1' _cell_volume 90.60199600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 5.34720928 5.34720928 5.34720928 1 Tl Tl2 1 1.78240310 1.78240310 1.78240309 1 [/CIF]
MgPbTl
F-43m
216
cubic
-43m
7,988.891887
false
[CIF] data_NaYMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05847482 _cell_length_b 5.05847482 _cell_length_c 3.46475971 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYMn2 _chemical_formula_sum 'Na1 Y1 Mn2' _cell_volume 88.65685182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.52923741 0.00000000 1.73237986 1 Mn Mn1 1 0.00000000 2.52923741 1.73237986 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.52923741 2.52923741 0.00000000 1 [/CIF]
Mn2NaY
P4/mmm
123
tetragonal
4/mmm
4,153.774689
false
[CIF] data_BaSrCuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30617297 _cell_length_b 5.30617297 _cell_length_c 5.30617297 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrCuOs _chemical_formula_sum 'Ba1 Sr1 Cu1 Os1' _cell_volume 105.64019916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87601544 1.87601545 1.87601545 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.75203089 3.75203089 3.75203089 1 Sr Sr3 1 5.62804634 5.62804634 5.62804634 1 [/CIF]
BaCuOsSr
F-43m
216
cubic
-43m
7,524.959721
false
[CIF] data_Na2CdCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00339144 _cell_length_b 3.00339144 _cell_length_c 9.62083272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CdCo _chemical_formula_sum 'Na2 Cd1 Co1' _cell_volume 86.78337618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50169572 1.50169572 5.24977006 1 Co Co1 1 0.00000000 0.00000000 6.98050476 1 Na Na2 1 1.50169572 1.50169572 9.16478572 1 Na Na3 1 0.00000000 0.00000000 2.65702126 1 [/CIF]
CdCoNa2
P4mm
99
tetragonal
4mm
4,158.449971
false
[CIF] data_MgBe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66509393 _cell_length_b 4.66509393 _cell_length_c 4.66509393 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBe2Pb _chemical_formula_sum 'Mg1 Be2 Pb1' _cell_volume 71.79036786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64935977 1.64935978 1.64935978 1 Be Be1 1 4.94807933 4.94807933 4.94807933 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.29871955 3.29871955 3.29871955 1 [/CIF]
Be2MgPb
Fm-3m
225
cubic
m-3m
5,771.711019
false
[CIF] data_LiP2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58545091 _cell_length_b 4.58545091 _cell_length_c 4.58545091 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiP2Cl _chemical_formula_sum 'Li1 P2 Cl1' _cell_volume 68.17594180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.24240343 3.24240343 3.24240343 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.62120172 1.62120172 1.62120171 1 P P3 1 4.86360515 4.86360515 4.86360515 1 [/CIF]
ClLiP2
Fm-3m
225
cubic
m-3m
2,541.412297
false
[CIF] data_TlVCrGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60260426 _cell_length_b 4.60260426 _cell_length_c 4.60260426 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVCrGa _chemical_formula_sum 'Tl1 V1 Cr1 Ga1' _cell_volume 68.94390941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 3.25453268 3.25453268 3.25453268 1 Ga Ga1 1 1.62726634 1.62726634 1.62726634 1 Tl Tl2 1 4.88179902 4.88179902 4.88179902 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrGaTlV
F-43m
216
cubic
-43m
9,081.239099
false
[CIF] data_BaMn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65951294 _cell_length_b 3.92873804 _cell_length_c 7.42922645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn2Pb _chemical_formula_sum 'Ba1 Mn2 Pb1' _cell_volume 106.81197744 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.82975647 1.96436902 2.40671032 1 Mn Mn2 1 1.82975647 1.96436902 5.02251613 1 Pb Pb3 1 0.00000000 0.00000000 3.71461323 1 [/CIF]
BaMn2Pb
Pmmm
47
orthorhombic
mmm
7,064.320884
false
[CIF] data_MgAlFePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40785115 _cell_length_b 4.40785115 _cell_length_c 4.40785115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAlFePd _chemical_formula_sum 'Mg1 Al1 Fe1 Pd1' _cell_volume 60.55719682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67523216 4.67523216 4.67523216 1 Fe Fe1 1 1.55841072 1.55841072 1.55841072 1 Mg Mg2 1 -0.00000000 -0.00000000 0.00000000 1 Pd Pd3 1 3.11682144 3.11682144 3.11682144 1 [/CIF]
AlFeMgPd
F-43m
216
cubic
-43m
5,855.797348
false
[CIF] data_Ti3InOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82369271 _cell_length_b 4.82369271 _cell_length_c 4.82369271 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3InOs _chemical_formula_sum 'Ti3 In1 Os1' _cell_volume 112.23773678 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41184636 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 2.41184636 1 Ti Ti2 1 2.41184636 0.00000000 0.00000000 1 Os Os3 1 2.41184636 2.41184636 2.41184636 1 In In4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InOsTi3
Pm-3m
221
cubic
m-3m
6,637.689008
false
[CIF] data_TaIrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45475195 _cell_length_b 4.45475195 _cell_length_c 4.45475195 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIrBr _chemical_formula_sum 'Ta1 Ir1 Br1' _cell_volume 62.51087543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.72497796 4.72497796 4.72497796 1 Ta Ta2 1 3.14998531 3.14998531 3.14998531 1 [/CIF]
BrIrTa
F-43m
216
cubic
-43m
12,035.322972
false
[CIF] data_Ca2NbTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58261585 _cell_length_b 5.58261585 _cell_length_c 2.83500750 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2NbTc _chemical_formula_sum 'Ca2 Nb1 Tc1' _cell_volume 88.35470897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.79130792 0.00000000 1.41750375 1 Ca Ca1 1 0.00000000 2.79130792 1.41750375 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 2.79130792 2.79130792 0.00000000 1 [/CIF]
Ca2NbTc
P4/mmm
123
tetragonal
4/mmm
5,111.379543
false
[CIF] data_ReTe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58495768 _cell_length_b 4.58495768 _cell_length_c 6.86133753 _cell_angle_alpha 101.62625309 _cell_angle_beta 101.62625309 _cell_angle_gamma 46.83412746 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTe2Mo _chemical_formula_sum 'Re1 Te2 Mo1' _cell_volume 102.63533125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40043224 0.00000000 2.80471790 1 Re Re1 1 5.97748028 0.00000000 2.22349862 1 Te Te2 1 -0.03934357 0.00000000 0.71552427 1 Te Te3 1 1.02312249 0.00000000 4.29700265 1 [/CIF]
MoReTe2
Cm
8
monoclinic
m
8,694.071386
false
[CIF] data_SrCaAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56304529 _cell_length_b 5.56304529 _cell_length_c 5.56304529 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaAgPb _chemical_formula_sum 'Sr1 Ca1 Ag1 Pb1' _cell_volume 121.73705451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96683353 1.96683353 1.96683352 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.90050057 5.90050057 5.90050057 1 Sr Sr3 1 3.93366705 3.93366705 3.93366705 1 [/CIF]
AgCaPbSr
F-43m
216
cubic
-43m
6,039.496975
false
[CIF] data_ScVRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44618839 _cell_length_b 4.44618839 _cell_length_c 4.44618839 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScVRuW _chemical_formula_sum 'Sc1 V1 Ru1 W1' _cell_volume 62.15106610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71589494 4.71589494 4.71589494 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 3.14392996 3.14392996 3.14392996 1 W W3 1 1.57196498 1.57196498 1.57196498 1 [/CIF]
RuScVW
F-43m
216
cubic
-43m
10,174.332062
false
[CIF] data_ReBRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91921213 _cell_length_b 2.91921213 _cell_length_c 4.96331695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBRh _chemical_formula_sum 'Re1 B1 Rh1' _cell_volume 36.62974969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93671794 1 Re Re1 1 1.45960606 0.84270395 1.35502603 1 Rh Rh2 1 0.00000000 1.68540791 3.63488998 1 [/CIF]
BReRh
P3m1
156
trigonal
3m
13,596.453478
false
[CIF] data_CrHg2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10846559 _cell_length_b 3.10846559 _cell_length_c 8.22248434 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.20403745 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHg2P _chemical_formula_sum 'Cr1 Hg2 P1' _cell_volume 79.23645911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.11124217 1 Hg Hg1 1 2.11591717 0.00000000 6.07869824 1 Hg Hg2 1 2.11591717 0.00000000 2.14378610 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrHg2P
Cmmm
65
orthorhombic
mmm
10,146.210078
false
[CIF] data_CdGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00592197 _cell_length_b 3.00592197 _cell_length_c 10.98766137 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGe _chemical_formula_sum 'Cd2 Ge2' _cell_volume 85.97878520 _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 Cd Cd0 1 1.50296099 0.86773493 9.50366651 1 Cd Cd1 1 -0.00000000 1.73546986 1.48399486 1 Ge Ge2 1 1.50296099 0.86773493 4.28917470 1 Ge Ge3 1 -0.00000000 1.73546986 6.69848667 1 [/CIF]
Cd2Ge2
P-3m1
164
trigonal
-3m
7,147.912446
false
[CIF] data_VGaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27570924 _cell_length_b 4.27570924 _cell_length_c 4.27570924 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGaOs2 _chemical_formula_sum 'V1 Ga1 Os2' _cell_volume 55.27254933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02338300 3.02338300 3.02338300 1 Os Os1 1 4.53507450 4.53507450 4.53507450 1 Os Os2 1 1.51169150 1.51169150 1.51169150 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaOs2V
Fm-3m
225
cubic
m-3m
15,055.155217
false
[CIF] data_Mg2BiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46502433 _cell_length_b 4.46502433 _cell_length_c 4.15186927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2BiPd _chemical_formula_sum 'Mg2 Bi1 Pd1' _cell_volume 82.77350200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.23251217 2.23251217 0.00000000 1 Mg Mg1 1 2.23251217 0.00000000 2.07593463 1 Mg Mg2 1 0.00000000 2.23251217 2.07593463 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiMg2Pd
P4/mmm
123
tetragonal
4/mmm
7,302.499897
false
[CIF] data_TlNiIrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48222087 _cell_length_b 4.48222087 _cell_length_c 4.48222087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiIrPd _chemical_formula_sum 'Tl1 Ni1 Ir1 Pd1' _cell_volume 63.67438538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58470438 1.58470438 1.58470438 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.75411315 4.75411315 4.75411315 1 Tl Tl3 1 3.16940877 3.16940877 3.16940877 1 [/CIF]
IrNiPdTl
F-43m
216
cubic
-43m
14,648.709014
false
[CIF] data_AlSn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77486865 _cell_length_b 4.77486865 _cell_length_c 4.77486865 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSn2Rh _chemical_formula_sum 'Al1 Sn2 Rh1' _cell_volume 76.97847254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.37634200 3.37634200 3.37634200 1 Sn Sn2 1 5.06451300 5.06451300 5.06451300 1 Sn Sn3 1 1.68817100 1.68817100 1.68817100 1 [/CIF]
AlRhSn2
Fm-3m
225
cubic
m-3m
7,923.353984
false
[CIF] data_CoPd2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73054495 _cell_length_b 3.82974779 _cell_length_c 5.55946953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPd2Pt _chemical_formula_sum 'Co1 Pd2 Pt1' _cell_volume 58.13703231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 4.13667524 1 Pd Pd1 1 1.36527248 1.91487390 5.51554561 1 Pd Pd2 1 0.00000000 0.00000000 1.38749916 1 Pt Pt3 1 1.36527248 1.91487390 2.85895387 1 [/CIF]
CoPd2Pt
Pmm2
25
orthorhombic
mm2
13,334.609285
false
[CIF] data_KNaHfCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29098345 _cell_length_b 5.29098345 _cell_length_c 5.29098345 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaHfCu _chemical_formula_sum 'K1 Na1 Hf1 Cu1' _cell_volume 104.73557289 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87064514 1.87064514 1.87064514 1 Hf Hf1 1 5.61193542 5.61193542 5.61193542 1 K K2 1 3.74129028 3.74129028 3.74129028 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuHfKNa
F-43m
216
cubic
-43m
4,821.760976
false
[CIF] data_BaGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82241441 _cell_length_b 3.82241441 _cell_length_c 6.90202017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGe3 _chemical_formula_sum 'Ba1 Ge3' _cell_volume 100.84439466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45101009 1 Ge Ge1 1 1.91120720 1.91120720 1.22969394 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 1.91120720 1.91120720 5.67232623 1 [/CIF]
BaGe3
P4/mmm
123
tetragonal
4/mmm
5,849.621328
false
[CIF] data_BaScCdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51104265 _cell_length_b 5.51104265 _cell_length_c 5.51104265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScCdIn _chemical_formula_sum 'Ba1 Sc1 Cd1 In1' _cell_volume 118.35492064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94844781 1.94844781 1.94844781 1 Cd Cd1 1 5.84534345 5.84534345 5.84534345 1 In In2 1 3.89689563 3.89689563 3.89689563 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCdInSc
F-43m
216
cubic
-43m
5,745.5197
false
[CIF] data_Y4TiIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37390263 _cell_length_b 6.37390263 _cell_length_c 6.37390263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4TiIn _chemical_formula_sum 'Y4 Ti1 In1' _cell_volume 183.10545203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.76054466 6.76054466 6.76054466 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 3.38030289 5.63375665 5.63375665 1 Y Y3 1 5.63375665 5.63375665 3.38030289 1 Y Y4 1 5.63375665 3.38030289 5.63375665 1 Y Y5 1 3.38030289 3.38030289 3.38030289 1 [/CIF]
InTiY4
F-43m
216
cubic
-43m
4,700.413544
false
[CIF] data_NaCuPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51281919 _cell_length_b 4.51281919 _cell_length_c 4.51281919 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCuPdAu _chemical_formula_sum 'Na1 Cu1 Pd1 Au1' _cell_volume 64.98734611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78656758 4.78656758 4.78656758 1 Cu Cu1 1 3.19104505 3.19104505 3.19104505 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.59552253 1.59552253 1.59552253 1 [/CIF]
AuCuNaPd
F-43m
216
cubic
-43m
9,963.189982
false