mp_id
stringlengths
4
38
elements
listlengths
1
10
atomic_numbers
listlengths
1
200
num_atoms
int32
1
200
num_elements
int32
1
10
fractional_coords
listlengths
1
200
lattice
dict
spacegroup_number
int32
0
230
reduced_formula
stringlengths
1
24
tier
stringclasses
3 values
is_li_containing
bool
2 classes
num_li_atoms
int32
0
104
band_gap
float32
0
17.9
energy_above_hull
float32
0
9.71
formation_energy_per_atom
float32
-5.15
8.99
is_metal
bool
2 classes
source_tags
listlengths
1
5
source
stringclasses
4 values
tar:OQMD_478113
[ "B", "Si", "Gd" ]
[ 64, 64, 64, 64, 14, 14, 14, 14, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 5.995183944702148, "b": 5.995183944702148, "c": 5.995183944702148, "alpha": 90, "beta": 90, "gamma": 90 }
225
GdSiB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478127
[ "B", "Ti", "Hg" ]
[ 22, 22, 22, 22, 80, 80, 80, 80, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.832622051239014, "b": 5.832622051239014, "c": 5.832622051239014, "alpha": 90, "beta": 90, "gamma": 90 }
225
TiHgB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_hA3jr8JE9DdWwakL7Z3ctIbsZBMu
[ "B", "Ba", "Pm" ]
[ 56, 56, 56, 56, 61, 61, 61, 61, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 7.01421594619751, "b": 7.01421594619751, "c": 7.01421594619751, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaPmB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478169
[ "B", "V", "Pt" ]
[ 23, 23, 23, 23, 5, 5, 5, 5, 5, 5, 5, 5, 78, 78, 78, 78 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.479218006134033, "b": 5.479218006134033, "c": 5.479218006134033, "alpha": 90, "beta": 90, "gamma": 90 }
225
VB2Pt
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478183
[ "B", "Cu", "Pb" ]
[ 29, 29, 29, 29, 5, 5, 5, 5, 5, 5, 5, 5, 82, 82, 82, 82 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.124524116516113, "b": 6.124524116516113, "c": 6.124524116516113, "alpha": 90, "beta": 90, "gamma": 90 }
225
CuB2Pb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478199
[ "B", "Pm", "Os" ]
[ 61, 61, 61, 61, 5, 5, 5, 5, 5, 5, 5, 5, 76, 76, 76, 76 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.9929280281066895, "b": 5.9929280281066895, "c": 5.9929280281066895, "alpha": 90, "beta": 90, "gamma": 90 }
225
PmB2Os
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478214
[ "B", "Ge", "Ac" ]
[ 89, 89, 89, 89, 32, 32, 32, 32, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.515597820281982, "b": 6.515597820281982, "c": 6.515597820281982, "alpha": 90, "beta": 90, "gamma": 90 }
225
AcGeB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478227
[ "B", "V", "Re" ]
[ 23, 23, 23, 23, 75, 75, 75, 75, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.403083801269531, "b": 5.403083801269531, "c": 5.403083801269531, "alpha": 90, "beta": 90, "gamma": 90 }
225
VReB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478256
[ "B", "K", "Te" ]
[ 19, 19, 19, 19, 5, 5, 5, 5, 5, 5, 5, 5, 52, 52, 52, 52 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.734692096710205, "b": 6.734692096710205, "c": 6.734692096710205, "alpha": 90, "beta": 90, "gamma": 90 }
225
KB2Te
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478271
[ "B", "Mn", "Pt" ]
[ 25, 25, 25, 25, 5, 5, 5, 5, 5, 5, 5, 5, 78, 78, 78, 78 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.315989971160889, "b": 5.315989971160889, "c": 5.315989971160889, "alpha": 90, "beta": 90, "gamma": 90 }
225
MnB2Pt
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_bfjJUPElFtlN7kOga4_Gg5PKyKEC
[ "Li", "B", "Tm" ]
[ 3, 3, 3, 3, 69, 69, 69, 69, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 5.874023914337158, "b": 5.874023914337158, "c": 5.874023914337158, "alpha": 90, "beta": 90, "gamma": 90 }
225
LiTmB2
general_inorganic
true
4
null
null
null
null
[ "li" ]
external_cif_tar
tar:OQMD_478300
[ "B", "Co", "Hg" ]
[ 27, 27, 27, 27, 80, 80, 80, 80, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 5.577311992645264, "b": 5.577311992645264, "c": 5.577311992645264, "alpha": 90, "beta": 90, "gamma": 90 }
225
CoHgB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478313
[ "B", "Tb", "Er" ]
[ 65, 65, 65, 65, 68, 68, 68, 68, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.412149906158447, "b": 6.412149906158447, "c": 6.412149906158447, "alpha": 90, "beta": 90, "gamma": 90 }
225
TbErB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478328
[ "B", "Cd", "Er" ]
[ 68, 68, 68, 68, 48, 48, 48, 48, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.198048114776611, "b": 6.198048114776611, "c": 6.198048114776611, "alpha": 90, "beta": 90, "gamma": 90 }
225
ErCdB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478340
[ "B", "Ba", "Dy" ]
[ 56, 56, 56, 56, 66, 66, 66, 66, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.923776149749756, "b": 6.923776149749756, "c": 6.923776149749756, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaDyB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478356
[ "B", "Sc", "Fe" ]
[ 21, 21, 21, 21, 26, 26, 26, 26, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.403672218322754, "b": 5.403672218322754, "c": 5.403672218322754, "alpha": 90, "beta": 90, "gamma": 90 }
225
ScFeB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478372
[ "B", "Ni", "Sm" ]
[ 62, 62, 62, 62, 28, 28, 28, 28, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.895413875579834, "b": 5.895413875579834, "c": 5.895413875579834, "alpha": 90, "beta": 90, "gamma": 90 }
225
SmNiB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_F0Adv4Dnx89wItljR3BIT1IkJnDf
[ "B", "Pr", "Hf" ]
[ 59, 59, 59, 59, 72, 72, 72, 72, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.367319107055664, "b": 6.367319107055664, "c": 6.367319107055664, "alpha": 90, "beta": 90, "gamma": 90 }
225
PrHfB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478399
[ "B", "Ru", "Re" ]
[ 75, 75, 75, 75, 5, 5, 5, 5, 5, 5, 5, 5, 44, 44, 44, 44 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.451953887939453, "b": 5.451953887939453, "c": 5.451953887939453, "alpha": 90, "beta": 90, "gamma": 90 }
225
ReB2Ru
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478408
[ "B", "Tc", "In" ]
[ 49, 49, 49, 49, 43, 43, 43, 43, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 5.764249801635742, "b": 5.764249801635742, "c": 5.764249801635742, "alpha": 90, "beta": 90, "gamma": 90 }
225
InTcB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478424
[ "B", "Na", "Mn" ]
[ 11, 11, 11, 11, 25, 25, 25, 25, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.509235858917236, "b": 5.509235858917236, "c": 5.509235858917236, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaMnB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478436
[ "B", "Ni", "Cs" ]
[ 55, 55, 55, 55, 28, 28, 28, 28, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.537868022918701, "b": 6.537868022918701, "c": 6.537868022918701, "alpha": 90, "beta": 90, "gamma": 90 }
225
CsNiB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478450
[ "B", "As", "Np" ]
[ 93, 93, 93, 93, 5, 5, 5, 5, 5, 5, 5, 5, 33, 33, 33, 33 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.938700199127197, "b": 5.938700199127197, "c": 5.938700199127197, "alpha": 90, "beta": 90, "gamma": 90 }
225
NpB2As
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478461
[ "B", "Cr", "Os" ]
[ 24, 24, 24, 24, 5, 5, 5, 5, 5, 5, 5, 5, 76, 76, 76, 76 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.341238021850586, "b": 5.341238021850586, "c": 5.341238021850586, "alpha": 90, "beta": 90, "gamma": 90 }
225
CrB2Os
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478477
[ "B", "Ca", "Ta" ]
[ 20, 20, 20, 20, 73, 73, 73, 73, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.016880035400391, "b": 6.016880035400391, "c": 6.016880035400391, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaTaB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478490
[ "B", "Tm", "Ac" ]
[ 89, 89, 89, 89, 69, 69, 69, 69, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.767526149749756, "b": 6.767526149749756, "c": 6.767526149749756, "alpha": 90, "beta": 90, "gamma": 90 }
225
AcTmB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_jzP3jX7QqUI8A-tws9KEipmO1WUf
[ "B", "Nb", "In" ]
[ 41, 41, 41, 41, 49, 49, 49, 49, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 5.927867412567139, "b": 5.927867412567139, "c": 5.927867412567139, "alpha": 90, "beta": 90, "gamma": 90 }
225
NbInB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478514
[ "B", "Zn", "Ho" ]
[ 67, 67, 67, 67, 30, 30, 30, 30, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 5.982141971588135, "b": 5.982141971588135, "c": 5.982141971588135, "alpha": 90, "beta": 90, "gamma": 90 }
225
HoZnB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_e2WyDmjZLPd2sVpbdT1sPF7qhaX-
[ "B", "Cd", "Ce" ]
[ 58, 58, 58, 58, 48, 48, 48, 48, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.482264995574951, "b": 6.482264995574951, "c": 6.482264995574951, "alpha": 90, "beta": 90, "gamma": 90 }
225
CeCdB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_rh6C2kRxWV49auPMhm_iLuLk2Tv_
[ "B", "As", "Pr" ]
[ 59, 59, 59, 59, 5, 5, 5, 5, 5, 5, 5, 5, 33, 33, 33, 33 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.39708137512207, "b": 6.39708137512207, "c": 6.39708137512207, "alpha": 90, "beta": 90, "gamma": 90 }
225
PrB2As
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_4KKllHaWjz9NU2Wjn7Z4-oimU8ju
[ "B", "Er", "Hf" ]
[ 68, 68, 68, 68, 72, 72, 72, 72, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.157586097717285, "b": 6.157586097717285, "c": 6.157586097717285, "alpha": 90, "beta": 90, "gamma": 90 }
225
ErHfB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478572
[ "B", "Sn", "Hg" ]
[ 50, 50, 50, 50, 80, 80, 80, 80, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.385662078857422, "b": 6.385662078857422, "c": 6.385662078857422, "alpha": 90, "beta": 90, "gamma": 90 }
225
SnHgB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478583
[ "B", "K", "Er" ]
[ 19, 19, 19, 19, 68, 68, 68, 68, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.618134021759033, "b": 6.618134021759033, "c": 6.618134021759033, "alpha": 90, "beta": 90, "gamma": 90 }
225
KErB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_NsLBFnODQaKCIwo-0sxTIdGeA6wp
[ "B", "V", "Sn" ]
[ 23, 23, 23, 23, 50, 50, 50, 50, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 5.8024420738220215, "b": 5.8024420738220215, "c": 5.8024420738220215, "alpha": 90, "beta": 90, "gamma": 90 }
225
VSnB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478612
[ "B", "Sb", "Ta" ]
[ 73, 73, 73, 73, 5, 5, 5, 5, 5, 5, 5, 5, 51, 51, 51, 51 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.019534111022949, "b": 6.019534111022949, "c": 6.019534111022949, "alpha": 90, "beta": 90, "gamma": 90 }
225
TaB2Sb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478626
[ "B", "Na", "K" ]
[ 19, 19, 19, 19, 11, 11, 11, 11, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.848710060119629, "b": 6.848710060119629, "c": 6.848710060119629, "alpha": 90, "beta": 90, "gamma": 90 }
225
KNaB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478640
[ "B", "Mo", "Pr" ]
[ 59, 59, 59, 59, 5, 5, 5, 5, 5, 5, 5, 5, 42, 42, 42, 42 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.199406147003174, "b": 6.199406147003174, "c": 6.199406147003174, "alpha": 90, "beta": 90, "gamma": 90 }
225
PrB2Mo
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_do2VcY3LsoMmrfmljTFYHOyaxftB
[ "B", "Sn", "Gd" ]
[ 64, 64, 64, 64, 50, 50, 50, 50, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.35164737701416, "b": 6.35164737701416, "c": 6.35164737701416, "alpha": 90, "beta": 90, "gamma": 90 }
225
GdSnB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_B8NewxJ_vQrc6s1ibKaUXqhAwU_f
[ "B", "Si", "Rb" ]
[ 37, 37, 37, 37, 14, 14, 14, 14, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.389101505279541, "b": 6.389101505279541, "c": 6.389101505279541, "alpha": 90, "beta": 90, "gamma": 90 }
225
RbSiB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_V4BHRlnDP91L2fV2bO_pdOnig2QL
[ "B", "Mo", "Er" ]
[ 68, 68, 68, 68, 5, 5, 5, 5, 5, 5, 5, 5, 42, 42, 42, 42 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.94497537612915, "b": 5.94497537612915, "c": 5.94497537612915, "alpha": 90, "beta": 90, "gamma": 90 }
225
ErB2Mo
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478694
[ "B", "Fe", "Tl" ]
[ 81, 81, 81, 81, 26, 26, 26, 26, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.810200214385986, "b": 5.810200214385986, "c": 5.810200214385986, "alpha": 90, "beta": 90, "gamma": 90 }
225
TlFeB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_tUMSOGffA4EricSWcCPPN2Gn77k_
[ "B", "Tb", "Bi" ]
[ 65, 65, 65, 65, 83, 83, 83, 83, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.577600002288818, "b": 6.577600002288818, "c": 6.577600002288818, "alpha": 90, "beta": 90, "gamma": 90 }
225
TbBiB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_TpXkZ6MohXYlc085_ZIBCUb3Repu
[ "B", "V", "Pu" ]
[ 94, 94, 94, 94, 23, 23, 23, 23, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 5.651427268981934, "b": 5.651427268981934, "c": 5.651427268981934, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuVB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_33OWkhSBcXv2lB7rHxP7Ohmue_om
[ "B", "Ba", "Er" ]
[ 56, 56, 56, 56, 68, 68, 68, 68, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.896219730377197, "b": 6.896219730377197, "c": 6.896219730377197, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaErB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478748
[ "B", "W", "Hg" ]
[ 80, 80, 80, 80, 5, 5, 5, 5, 5, 5, 5, 5, 74, 74, 74, 74 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.80692195892334, "b": 5.80692195892334, "c": 5.80692195892334, "alpha": 90, "beta": 90, "gamma": 90 }
225
HgB2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478762
[ "B", "Na", "Nd" ]
[ 11, 11, 11, 11, 60, 60, 60, 60, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.441324234008789, "b": 6.441324234008789, "c": 6.441324234008789, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaNdB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_enDTh6SWw29eg2wPRNjX4VbEZqDK
[ "B", "Sm", "Ta" ]
[ 62, 62, 62, 62, 73, 73, 73, 73, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.170281887054443, "b": 6.170281887054443, "c": 6.170281887054443, "alpha": 90, "beta": 90, "gamma": 90 }
225
SmTaB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478789
[ "B", "Pb", "Th" ]
[ 90, 90, 90, 90, 5, 5, 5, 5, 5, 5, 5, 5, 82, 82, 82, 82 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.578236103057861, "b": 6.578236103057861, "c": 6.578236103057861, "alpha": 90, "beta": 90, "gamma": 90 }
225
ThB2Pb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478801
[ "Be", "B", "Eu" ]
[ 63, 63, 63, 63, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.889689922332764, "b": 5.889689922332764, "c": 5.889689922332764, "alpha": 90, "beta": 90, "gamma": 90 }
225
EuBeB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478813
[ "B", "K", "Zn" ]
[ 19, 19, 19, 19, 30, 30, 30, 30, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.243120193481445, "b": 6.243120193481445, "c": 6.243120193481445, "alpha": 90, "beta": 90, "gamma": 90 }
225
KZnB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478830
[ "B", "Zr", "Ir" ]
[ 40, 40, 40, 40, 5, 5, 5, 5, 5, 5, 5, 5, 77, 77, 77, 77 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.739361763000488, "b": 5.739361763000488, "c": 5.739361763000488, "alpha": 90, "beta": 90, "gamma": 90 }
225
ZrB2Ir
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_UoV0up4fKm4dg0_IEqkG4x38UWDM
[ "B", "Na", "Tm" ]
[ 11, 11, 11, 11, 69, 69, 69, 69, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.185111045837402, "b": 6.185111045837402, "c": 6.185111045837402, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaTmB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478861
[ "B", "Hg", "Tl" ]
[ 81, 81, 81, 81, 80, 80, 80, 80, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.480991840362549, "b": 6.480991840362549, "c": 6.480991840362549, "alpha": 90, "beta": 90, "gamma": 90 }
225
TlHgB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478875
[ "B", "As", "Rh" ]
[ 5, 5, 5, 5, 5, 5, 5, 5, 33, 33, 33, 33, 45, 45, 45, 45 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.632271766662598, "b": 5.632271766662598, "c": 5.632271766662598, "alpha": 90, "beta": 90, "gamma": 90 }
225
B2AsRh
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_IkClph-AnBUMhQffPym4d7M8wVTv
[ "B", "Fe", "Pu" ]
[ 94, 94, 94, 94, 26, 26, 26, 26, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.659947395324707, "b": 5.659947395324707, "c": 5.659947395324707, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuFeB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478908
[ "B", "Rh", "Pa" ]
[ 91, 91, 91, 91, 5, 5, 5, 5, 5, 5, 5, 5, 45, 45, 45, 45 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.969446182250977, "b": 5.969446182250977, "c": 5.969446182250977, "alpha": 90, "beta": 90, "gamma": 90 }
225
PaB2Rh
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478923
[ "B", "Rh", "Ho" ]
[ 67, 67, 67, 67, 5, 5, 5, 5, 5, 5, 5, 5, 45, 45, 45, 45 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.840198040008545, "b": 5.840198040008545, "c": 5.840198040008545, "alpha": 90, "beta": 90, "gamma": 90 }
225
HoB2Rh
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478939
[ "B", "Pd", "Hf" ]
[ 72, 72, 72, 72, 5, 5, 5, 5, 5, 5, 5, 5, 46, 46, 46, 46 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.778339862823486, "b": 5.778339862823486, "c": 5.778339862823486, "alpha": 90, "beta": 90, "gamma": 90 }
225
HfB2Pd
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478961
[ "B", "Ca", "Re" ]
[ 20, 20, 20, 20, 75, 75, 75, 75, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 5.837153911590576, "b": 5.837153911590576, "c": 5.837153911590576, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaReB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478974
[ "B", "Cd", "Ta" ]
[ 73, 73, 73, 73, 48, 48, 48, 48, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.871163845062256, "b": 5.871163845062256, "c": 5.871163845062256, "alpha": 90, "beta": 90, "gamma": 90 }
225
TaCdB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_478989
[ "B", "Sb", "Re" ]
[ 75, 75, 75, 75, 5, 5, 5, 5, 5, 5, 5, 5, 51, 51, 51, 51 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.833479881286621, "b": 5.833479881286621, "c": 5.833479881286621, "alpha": 90, "beta": 90, "gamma": 90 }
225
ReB2Sb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479005
[ "B", "Pm", "Ta" ]
[ 61, 61, 61, 61, 73, 73, 73, 73, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.183316230773926, "b": 6.183316230773926, "c": 6.183316230773926, "alpha": 90, "beta": 90, "gamma": 90 }
225
PmTaB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479020
[ "B", "Ca", "Sr" ]
[ 38, 38, 38, 38, 20, 20, 20, 20, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.784922122955322, "b": 6.784922122955322, "c": 6.784922122955322, "alpha": 90, "beta": 90, "gamma": 90 }
225
SrCaB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_ZeDFbDBr7yf_dwaEEBSBtZSzDoLi
[ "B", "Na", "Cd" ]
[ 11, 11, 11, 11, 48, 48, 48, 48, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 6.072896480560303, "b": 6.072896480560303, "c": 6.072896480560303, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaCdB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_X53iyq5Rib5hLq1hauinMBWLCAy3
[ "B", "Cr", "Hg" ]
[ 24, 24, 24, 24, 80, 80, 80, 80, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 5.624207496643066, "b": 5.624207496643066, "c": 5.624207496643066, "alpha": 90, "beta": 90, "gamma": 90 }
225
CrHgB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_bgguXLDiJgLt2MUQOEANBYPJkGSr
[ "B", "Gd", "Np" ]
[ 64, 64, 64, 64, 93, 93, 93, 93, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.342287540435791, "b": 6.342287540435791, "c": 6.342287540435791, "alpha": 90, "beta": 90, "gamma": 90 }
225
GdNpB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_k7ua19ufh_K5QlTdcKz5eD8RxpE1
[ "B", "Dy", "W" ]
[ 66, 66, 66, 66, 5, 5, 5, 5, 5, 5, 5, 5, 74, 74, 74, 74 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.976589679718018, "b": 5.976589679718018, "c": 5.976589679718018, "alpha": 90, "beta": 90, "gamma": 90 }
225
DyB2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479094
[ "B", "Zr", "Ac" ]
[ 89, 89, 89, 89, 40, 40, 40, 40, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.603487968444824, "b": 6.603487968444824, "c": 6.603487968444824, "alpha": 90, "beta": 90, "gamma": 90 }
225
AcZrB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479108
[ "B", "Tc", "Pt" ]
[ 43, 43, 43, 43, 5, 5, 5, 5, 5, 5, 5, 5, 78, 78, 78, 78 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.5071539878845215, "b": 5.5071539878845215, "c": 5.5071539878845215, "alpha": 90, "beta": 90, "gamma": 90 }
225
TcB2Pt
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479122
[ "B", "Zr", "Ho" ]
[ 67, 67, 67, 67, 40, 40, 40, 40, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.217907905578613, "b": 6.217907905578613, "c": 6.217907905578613, "alpha": 90, "beta": 90, "gamma": 90 }
225
HoZrB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479145
[ "B", "Te", "Pt" ]
[ 5, 5, 5, 5, 5, 5, 5, 5, 52, 52, 52, 52, 78, 78, 78, 78 ]
16
3
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.031455993652344, "b": 6.031455993652344, "c": 6.031455993652344, "alpha": 90, "beta": 90, "gamma": 90 }
225
B2TePt
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479162
[ "B", "Pt", "Bi" ]
[ 83, 83, 83, 83, 5, 5, 5, 5, 5, 5, 5, 5, 78, 78, 78, 78 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.143695831298828, "b": 6.143695831298828, "c": 6.143695831298828, "alpha": 90, "beta": 90, "gamma": 90 }
225
BiB2Pt
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479178
[ "B", "As", "Gd" ]
[ 64, 64, 64, 64, 5, 5, 5, 5, 5, 5, 5, 5, 33, 33, 33, 33 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.24429178237915, "b": 6.24429178237915, "c": 6.24429178237915, "alpha": 90, "beta": 90, "gamma": 90 }
225
GdB2As
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_up4tSTnPFb_r5vVOIMJ24lunQ5Iq
[ "B", "Ce", "Hf" ]
[ 58, 58, 58, 58, 72, 72, 72, 72, 5, 5, 5, 5, 5, 5, 5, 5 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 6.406729698181152, "b": 6.406729698181152, "c": 6.406729698181152, "alpha": 90, "beta": 90, "gamma": 90 }
225
CeHfB2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_nVPhAxO9d0HVfVuhjIhBLn08QsVi
[ "Sc", "Os", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 21, 21, 21, 21, 76, 76, 76, 76 ]
16
3
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.308225154876709, "b": 7.308225154876709, "c": 7.308225154876709, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2ScOs
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_HsEv62U5XxjFiNn3Mbfv_EsnO11T
[ "Rh", "Re", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 75, 75, 75, 75, 45, 45, 45, 45 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.161331653594971, "b": 7.161331653594971, "c": 7.161331653594971, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2ReRh
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_YQUPepkqY8qnEPpCT0AYuIT-5bls
[ "Ge", "Ta", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 73, 73, 73, 73, 32, 32, 32, 32 ]
16
3
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.392045974731445, "b": 7.392045974731445, "c": 7.392045974731445, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2TaGe
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479260
[ "Co", "Rh", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 27, 27, 27, 27, 45, 45, 45, 45 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.026762008666992, "b": 7.026762008666992, "c": 7.026762008666992, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2CoRh
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_eKpQlx6P9UpwGxCBTN_Sbu_92_bU
[ "Sb", "Ce", "Th" ]
[ 58, 58, 58, 58, 90, 90, 90, 90, 90, 90, 90, 90, 51, 51, 51, 51 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.90579080581665, "b": 7.90579080581665, "c": 7.90579080581665, "alpha": 90, "beta": 90, "gamma": 90 }
225
CeTh2Sb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_CwpAF6XgTMcBjgkPNOsoTg_DfVKE
[ "Cu", "Os", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 29, 29, 29, 29, 76, 76, 76, 76 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.12558126449585, "b": 7.12558126449585, "c": 7.12558126449585, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2CuOs
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479314
[ "Hf", "Pb", "Th" ]
[ 72, 72, 72, 72, 90, 90, 90, 90, 90, 90, 90, 90, 82, 82, 82, 82 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.7448859214782715, "b": 7.7448859214782715, "c": 7.7448859214782715, "alpha": 90, "beta": 90, "gamma": 90 }
225
HfTh2Pb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_krdCDy2r8v4v8mYGBIVKhiabHwqz
[ "V", "W", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 23, 23, 23, 23, 74, 74, 74, 74 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.272555351257324, "b": 7.272555351257324, "c": 7.272555351257324, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2VW
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479347
[ "B", "Th", "Pa" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 91, 91, 91, 91, 5, 5, 5, 5 ]
16
3
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.213493824005127, "b": 7.213493824005127, "c": 7.213493824005127, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2PaB
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_kX5kx5wHrfPQ5FrjtnUKXUmqgkH1
[ "Li", "Os", "Th" ]
[ 3, 3, 3, 3, 90, 90, 90, 90, 90, 90, 90, 90, 76, 76, 76, 76 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.186783313751221, "b": 7.186783313751221, "c": 7.186783313751221, "alpha": 90, "beta": 90, "gamma": 90 }
225
LiTh2Os
general_inorganic
true
4
null
null
null
null
[ "li" ]
external_cif_tar
tar:OQMD_479374
[ "As", "Au", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 33, 33, 33, 33, 79, 79, 79, 79 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.392903804779053, "b": 7.392903804779053, "c": 7.392903804779053, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2AsAu
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479388
[ "Ge", "Y", "Th" ]
[ 39, 39, 39, 39, 90, 90, 90, 90, 90, 90, 90, 90, 32, 32, 32, 32 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.663010120391846, "b": 7.663010120391846, "c": 7.663010120391846, "alpha": 90, "beta": 90, "gamma": 90 }
225
YTh2Ge
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479398
[ "Fe", "Tc", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 26, 26, 26, 26, 43, 43, 43, 43 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.063811779022217, "b": 7.063811779022217, "c": 7.063811779022217, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2FeTc
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_EaGRWwEiSxWCcmdURL_Y4i6K-cPS
[ "In", "Tm", "Th" ]
[ 69, 69, 69, 69, 90, 90, 90, 90, 90, 90, 90, 90, 49, 49, 49, 49 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.806999683380127, "b": 7.806999683380127, "c": 7.806999683380127, "alpha": 90, "beta": 90, "gamma": 90 }
225
TmTh2In
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479428
[ "Zn", "Tm", "Th" ]
[ 69, 69, 69, 69, 90, 90, 90, 90, 90, 90, 90, 90, 30, 30, 30, 30 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.605710029602051, "b": 7.605710029602051, "c": 7.605710029602051, "alpha": 90, "beta": 90, "gamma": 90 }
225
TmTh2Zn
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_l4-4b30iCA9nUPVGV0tKtQcXgvN9
[ "Li", "Pr", "Th" ]
[ 3, 3, 3, 3, 59, 59, 59, 59, 90, 90, 90, 90, 90, 90, 90, 90 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 7.766125679016113, "b": 7.766125679016113, "c": 7.766125679016113, "alpha": 90, "beta": 90, "gamma": 90 }
225
LiPrTh2
general_inorganic
true
4
null
null
null
null
[ "li" ]
external_cif_tar
tar:OQMD_479454
[ "B", "Re", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 75, 75, 75, 75, 5, 5, 5, 5 ]
16
3
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.005690097808838, "b": 7.005690097808838, "c": 7.005690097808838, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2ReB
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_0sze3aDcs61HhXZh1WL3-ALALQLX
[ "Pd", "Re", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 75, 75, 75, 75, 46, 46, 46, 46 ]
16
3
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.192991733551025, "b": 7.192991733551025, "c": 7.192991733551025, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2RePd
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_A-L54EwHf-u33lskpJ5HJaulRQfu
[ "Nb", "Tb", "Th" ]
[ 65, 65, 65, 65, 90, 90, 90, 90, 90, 90, 90, 90, 41, 41, 41, 41 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.616765975952148, "b": 7.616765975952148, "c": 7.616765975952148, "alpha": 90, "beta": 90, "gamma": 90 }
225
TbTh2Nb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_QcJksBE4nCq-8S4pGP7Sm1J8bt8h
[ "As", "Zr", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 40, 40, 40, 40, 33, 33, 33, 33 ]
16
3
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.499753475189209, "b": 7.499753475189209, "c": 7.499753475189209, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2ZrAs
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479519
[ "Ti", "Pb", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 22, 22, 22, 22, 82, 82, 82, 82 ]
16
3
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.697703838348389, "b": 7.697703838348389, "c": 7.697703838348389, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2TiPb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479533
[ "In", "Nd", "Th" ]
[ 60, 60, 60, 60, 90, 90, 90, 90, 90, 90, 90, 90, 49, 49, 49, 49 ]
16
3
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 7.879158020019531, "b": 7.879158020019531, "c": 7.879158020019531, "alpha": 90, "beta": 90, "gamma": 90 }
225
NdTh2In
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_gXhY6_S27Adyy7FXRFuYpNDcPOoj
[ "In", "Pb", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 49, 49, 49, 49, 82, 82, 82, 82 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.796721935272217, "b": 7.796721935272217, "c": 7.796721935272217, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2InPb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479563
[ "Rb", "Yb", "Th" ]
[ 37, 37, 37, 37, 70, 70, 70, 70, 90, 90, 90, 90, 90, 90, 90, 90 ]
16
3
[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 8.474069595336914, "b": 8.474069595336914, "c": 8.474069595336914, "alpha": 90, "beta": 90, "gamma": 90 }
225
RbYbTh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_479580
[ "Co", "Pd", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 27, 27, 27, 27, 46, 46, 46, 46 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.083072185516357, "b": 7.083072185516357, "c": 7.083072185516357, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2CoPd
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_eYjLNqYI6v6lKl3P9TE1e0xHBfy0
[ "Fe", "Ir", "Th" ]
[ 90, 90, 90, 90, 90, 90, 90, 90, 26, 26, 26, 26, 77, 77, 77, 77 ]
16
3
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.08362340927124, "b": 7.08362340927124, "c": 7.08362340927124, "alpha": 90, "beta": 90, "gamma": 90 }
225
Th2FeIr
general_inorganic
false
null
null
null
null
null
null
external_cif_tar