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_449276
[ "Mo", "La", "Np" ]
[ 57, 57, 57, 57, 93, 93, 93, 93, 42, 42, 42, 42, 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, 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": 6.9753241539001465, "b": 6.9753241539001465, "c": 6.9753241539001465, "alpha": 90, "beta": 90, "gamma": 90 }
225
LaNpMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449290
[ "As", "Mo", "W" ]
[ 42, 42, 42, 42, 42, 42, 42, 42, 33, 33, 33, 33, 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": 6.287901878356934, "b": 6.287901878356934, "c": 6.287901878356934, "alpha": 90, "beta": 90, "gamma": 90 }
225
Mo2AsW
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_R9_kyS5u105Rs3DB-id7am_pbWhW
[ "Cu", "Mo", "Tc" ]
[ 29, 29, 29, 29, 43, 43, 43, 43, 42, 42, 42, 42, 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, 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": 6.1825032234191895, "b": 6.1825032234191895, "c": 6.1825032234191895, "alpha": 90, "beta": 90, "gamma": 90 }
225
CuTcMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449319
[ "Sc", "Mo", "U" ]
[ 21, 21, 21, 21, 92, 92, 92, 92, 42, 42, 42, 42, 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, 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": 6.659860134124756, "b": 6.659860134124756, "c": 6.659860134124756, "alpha": 90, "beta": 90, "gamma": 90 }
225
ScUMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449332
[ "V", "Mo", "Dy" ]
[ 66, 66, 66, 66, 23, 23, 23, 23, 42, 42, 42, 42, 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, 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": 6.492852210998535, "b": 6.492852210998535, "c": 6.492852210998535, "alpha": 90, "beta": 90, "gamma": 90 }
225
DyVMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449341
[ "Mn", "Zn", "Mo" ]
[ 25, 25, 25, 25, 30, 30, 30, 30, 42, 42, 42, 42, 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, 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": 6.084281921386719, "b": 6.084281921386719, "c": 6.084281921386719, "alpha": 90, "beta": 90, "gamma": 90 }
225
MnZnMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449355
[ "Mo", "Cd", "Sb" ]
[ 48, 48, 48, 48, 51, 51, 51, 51, 42, 42, 42, 42, 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, 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": 6.582602024078369, "b": 6.582602024078369, "c": 6.582602024078369, "alpha": 90, "beta": 90, "gamma": 90 }
225
CdSbMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449375
[ "Y", "Mo", "Ho" ]
[ 39, 39, 39, 39, 67, 67, 67, 67, 42, 42, 42, 42, 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, 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": 6.970024108886719, "b": 6.970024108886719, "c": 6.970024108886719, "alpha": 90, "beta": 90, "gamma": 90 }
225
YHoMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_pzYua9Tg3mOsqcM07qT9crOIpjgh
[ "Mo", "Pd", "U" ]
[ 92, 92, 92, 92, 42, 42, 42, 42, 42, 42, 42, 42, 46, 46, 46, 46 ]
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": 6.464724063873291, "b": 6.464724063873291, "c": 6.464724063873291, "alpha": 90, "beta": 90, "gamma": 90 }
225
UMo2Pd
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449416
[ "Co", "Y", "Mo" ]
[ 39, 39, 39, 39, 27, 27, 27, 27, 42, 42, 42, 42, 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, 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": 6.38643217086792, "b": 6.38643217086792, "c": 6.38643217086792, "alpha": 90, "beta": 90, "gamma": 90 }
225
YCoMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449433
[ "Sc", "Mn", "Mo" ]
[ 21, 21, 21, 21, 25, 25, 25, 25, 42, 42, 42, 42, 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, 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": 6.220751762390137, "b": 6.220751762390137, "c": 6.220751762390137, "alpha": 90, "beta": 90, "gamma": 90 }
225
ScMnMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449449
[ "Ca", "Mo", "Ho" ]
[ 20, 20, 20, 20, 67, 67, 67, 67, 42, 42, 42, 42, 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, 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": 7.0346360206604, "b": 7.0346360206604, "c": 7.0346360206604, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaHoMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449461
[ "Mo", "W", "Tl" ]
[ 81, 81, 81, 81, 42, 42, 42, 42, 42, 42, 42, 42, 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": 6.505507946014404, "b": 6.505507946014404, "c": 6.505507946014404, "alpha": 90, "beta": 90, "gamma": 90 }
225
TlMo2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449477
[ "V", "Mo", "Ba" ]
[ 56, 56, 56, 56, 23, 23, 23, 23, 42, 42, 42, 42, 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, 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": 6.702797889709473, "b": 6.702797889709473, "c": 6.702797889709473, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaVMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449493
[ "Be", "Fe", "Mo" ]
[ 4, 4, 4, 4, 26, 26, 26, 26, 42, 42, 42, 42, 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, 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": 5.872762203216553, "b": 5.872762203216553, "c": 5.872762203216553, "alpha": 90, "beta": 90, "gamma": 90 }
225
BeFeMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449511
[ "Mo", "Er", "Re" ]
[ 68, 68, 68, 68, 75, 75, 75, 75, 42, 42, 42, 42, 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, 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": 6.482538223266602, "b": 6.482538223266602, "c": 6.482538223266602, "alpha": 90, "beta": 90, "gamma": 90 }
225
ErReMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449526
[ "Na", "Ti", "Mo" ]
[ 11, 11, 11, 11, 22, 22, 22, 22, 42, 42, 42, 42, 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, 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": 6.432600021362305, "b": 6.432600021362305, "c": 6.432600021362305, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaTiMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449537
[ "Ga", "Mo", "Te" ]
[ 31, 31, 31, 31, 52, 52, 52, 52, 42, 42, 42, 42, 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, 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": 6.462560176849365, "b": 6.462560176849365, "c": 6.462560176849365, "alpha": 90, "beta": 90, "gamma": 90 }
225
GaTeMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449552
[ "Mg", "Mo", "Dy" ]
[ 66, 66, 66, 66, 12, 12, 12, 12, 42, 42, 42, 42, 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, 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": 6.70321798324585, "b": 6.70321798324585, "c": 6.70321798324585, "alpha": 90, "beta": 90, "gamma": 90 }
225
DyMgMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449574
[ "As", "Mo", "Ba" ]
[ 56, 56, 56, 56, 42, 42, 42, 42, 42, 42, 42, 42, 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": 6.718461990356445, "b": 6.718461990356445, "c": 6.718461990356445, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaMo2As
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449590
[ "Ni", "Mo", "Sn" ]
[ 28, 28, 28, 28, 50, 50, 50, 50, 42, 42, 42, 42, 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, 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": 6.321556091308594, "b": 6.321556091308594, "c": 6.321556091308594, "alpha": 90, "beta": 90, "gamma": 90 }
225
NiSnMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449606
[ "Zn", "Mo", "Pu" ]
[ 94, 94, 94, 94, 30, 30, 30, 30, 42, 42, 42, 42, 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, 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": 6.415339946746826, "b": 6.415339946746826, "c": 6.415339946746826, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuZnMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449621
[ "Zn", "Mo", "Hg" ]
[ 30, 30, 30, 30, 80, 80, 80, 80, 42, 42, 42, 42, 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, 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": 6.414792060852051, "b": 6.414792060852051, "c": 6.414792060852051, "alpha": 90, "beta": 90, "gamma": 90 }
225
ZnHgMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449633
[ "Mo", "Ag", "In" ]
[ 49, 49, 49, 49, 47, 47, 47, 47, 42, 42, 42, 42, 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, 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": 6.503704071044922, "b": 6.503704071044922, "c": 6.503704071044922, "alpha": 90, "beta": 90, "gamma": 90 }
225
InAgMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449650
[ "Na", "Mo", "Hg" ]
[ 11, 11, 11, 11, 80, 80, 80, 80, 42, 42, 42, 42, 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, 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": 6.591341495513916, "b": 6.591341495513916, "c": 6.591341495513916, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaHgMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449663
[ "Mo", "Sn", "Sb" ]
[ 50, 50, 50, 50, 51, 51, 51, 51, 42, 42, 42, 42, 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, 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": 6.645740032196045, "b": 6.645740032196045, "c": 6.645740032196045, "alpha": 90, "beta": 90, "gamma": 90 }
225
SnSbMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449676
[ "Nb", "Mo", "Au" ]
[ 41, 41, 41, 41, 42, 42, 42, 42, 42, 42, 42, 42, 79, 79, 79, 79 ]
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": 6.436967849731445, "b": 6.436967849731445, "c": 6.436967849731445, "alpha": 90, "beta": 90, "gamma": 90 }
225
NbMo2Au
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449694
[ "Mo", "Tb", "Yb" ]
[ 65, 65, 65, 65, 70, 70, 70, 70, 42, 42, 42, 42, 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, 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": 6.968614101409912, "b": 6.968614101409912, "c": 6.968614101409912, "alpha": 90, "beta": 90, "gamma": 90 }
225
TbYbMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449710
[ "Mo", "Hg", "Pb" ]
[ 80, 80, 80, 80, 42, 42, 42, 42, 42, 42, 42, 42, 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": 6.665056228637695, "b": 6.665056228637695, "c": 6.665056228637695, "alpha": 90, "beta": 90, "gamma": 90 }
225
HgMo2Pb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449725
[ "Ti", "Co", "Mo" ]
[ 22, 22, 22, 22, 27, 27, 27, 27, 42, 42, 42, 42, 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, 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": 6.114984035491943, "b": 6.114984035491943, "c": 6.114984035491943, "alpha": 90, "beta": 90, "gamma": 90 }
225
TiCoMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449738
[ "B", "Mo", "Cd" ]
[ 48, 48, 48, 48, 5, 5, 5, 5, 42, 42, 42, 42, 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, 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": 6.133860111236572, "b": 6.133860111236572, "c": 6.133860111236572, "alpha": 90, "beta": 90, "gamma": 90 }
225
CdBMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449751
[ "Na", "Mo", "Cs" ]
[ 55, 55, 55, 55, 11, 11, 11, 11, 42, 42, 42, 42, 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, 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": 7.4150919914245605, "b": 7.4150919914245605, "c": 7.4150919914245605, "alpha": 90, "beta": 90, "gamma": 90 }
225
CsNaMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449766
[ "Rb", "Mo", "Np" ]
[ 37, 37, 37, 37, 93, 93, 93, 93, 42, 42, 42, 42, 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, 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": 6.9051899909973145, "b": 6.9051899909973145, "c": 6.9051899909973145, "alpha": 90, "beta": 90, "gamma": 90 }
225
RbNpMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449781
[ "Mn", "Mo", "Er" ]
[ 68, 68, 68, 68, 25, 25, 25, 25, 42, 42, 42, 42, 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, 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": 6.361127853393555, "b": 6.361127853393555, "c": 6.361127853393555, "alpha": 90, "beta": 90, "gamma": 90 }
225
ErMnMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449792
[ "Na", "Mo", "Tm" ]
[ 11, 11, 11, 11, 69, 69, 69, 69, 42, 42, 42, 42, 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, 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": 6.779620170593262, "b": 6.779620170593262, "c": 6.779620170593262, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaTmMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449803
[ "Ca", "Mo", "Pb" ]
[ 20, 20, 20, 20, 42, 42, 42, 42, 42, 42, 42, 42, 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": 6.912414073944092, "b": 6.912414073944092, "c": 6.912414073944092, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaMo2Pb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449818
[ "Li", "Mo", "Ba" ]
[ 56, 56, 56, 56, 3, 3, 3, 3, 42, 42, 42, 42, 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, 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": 6.734933853149414, "b": 6.734933853149414, "c": 6.734933853149414, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaLiMo2
general_inorganic
true
4
null
null
null
null
[ "li" ]
external_cif_tar
tar:OQMD_449835
[ "V", "Mo", "Yb" ]
[ 70, 70, 70, 70, 23, 23, 23, 23, 42, 42, 42, 42, 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, 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": 6.392573833465576, "b": 6.392573833465576, "c": 6.392573833465576, "alpha": 90, "beta": 90, "gamma": 90 }
225
YbVMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449851
[ "Mo", "Ta", "Os" ]
[ 73, 73, 73, 73, 42, 42, 42, 42, 42, 42, 42, 42, 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": 6.329400062561035, "b": 6.329400062561035, "c": 6.329400062561035, "alpha": 90, "beta": 90, "gamma": 90 }
225
TaMo2Os
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449865
[ "Y", "Mo", "Tb" ]
[ 65, 65, 65, 65, 39, 39, 39, 39, 42, 42, 42, 42, 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, 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": 6.9919562339782715, "b": 6.9919562339782715, "c": 6.9919562339782715, "alpha": 90, "beta": 90, "gamma": 90 }
225
TbYMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449880
[ "Mo", "Os", "Au" ]
[ 42, 42, 42, 42, 42, 42, 42, 42, 76, 76, 76, 76, 79, 79, 79, 79 ]
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": 6.323823928833008, "b": 6.323823928833008, "c": 6.323823928833008, "alpha": 90, "beta": 90, "gamma": 90 }
225
Mo2OsAu
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_Yjfwcb5URLtMZRAHrreqttDyEE5z
[ "Al", "Sr", "Mo" ]
[ 38, 38, 38, 38, 13, 13, 13, 13, 42, 42, 42, 42, 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, 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": 6.6906514167785645, "b": 6.6906514167785645, "c": 6.6906514167785645, "alpha": 90, "beta": 90, "gamma": 90 }
225
SrAlMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449912
[ "Ge", "Mo", "Ag" ]
[ 47, 47, 47, 47, 32, 32, 32, 32, 42, 42, 42, 42, 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, 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": 6.32739782333374, "b": 6.32739782333374, "c": 6.32739782333374, "alpha": 90, "beta": 90, "gamma": 90 }
225
AgGeMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449928
[ "Mo", "In", "Ir" ]
[ 49, 49, 49, 49, 42, 42, 42, 42, 42, 42, 42, 42, 77, 77, 77, 77 ]
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": 6.430620193481445, "b": 6.430620193481445, "c": 6.430620193481445, "alpha": 90, "beta": 90, "gamma": 90 }
225
InMo2Ir
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449942
[ "Ca", "Mo", "Ce" ]
[ 20, 20, 20, 20, 58, 58, 58, 58, 42, 42, 42, 42, 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, 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": 7.194737911224365, "b": 7.194737911224365, "c": 7.194737911224365, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaCeMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449968
[ "Mg", "Ga", "Mo" ]
[ 12, 12, 12, 12, 31, 31, 31, 31, 42, 42, 42, 42, 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, 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": 6.331625938415527, "b": 6.331625938415527, "c": 6.331625938415527, "alpha": 90, "beta": 90, "gamma": 90 }
225
MgGaMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449983
[ "Zn", "Mo", "Tb" ]
[ 65, 65, 65, 65, 30, 30, 30, 30, 42, 42, 42, 42, 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, 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": 6.549496173858643, "b": 6.549496173858643, "c": 6.549496173858643, "alpha": 90, "beta": 90, "gamma": 90 }
225
TbZnMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_449995
[ "Mo", "Pt", "Th" ]
[ 90, 90, 90, 90, 42, 42, 42, 42, 42, 42, 42, 42, 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": 6.665599822998047, "b": 6.665599822998047, "c": 6.665599822998047, "alpha": 90, "beta": 90, "gamma": 90 }
225
ThMo2Pt
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450013
[ "Mo", "Ru", "Os" ]
[ 42, 42, 42, 42, 42, 42, 42, 42, 76, 76, 76, 76, 44, 44, 44, 44 ]
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": 6.222390174865723, "b": 6.222390174865723, "c": 6.222390174865723, "alpha": 90, "beta": 90, "gamma": 90 }
225
Mo2OsRu
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450028
[ "As", "Mo", "Sm" ]
[ 62, 62, 62, 62, 42, 42, 42, 42, 42, 42, 42, 42, 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": 6.562543869018555, "b": 6.562543869018555, "c": 6.562543869018555, "alpha": 90, "beta": 90, "gamma": 90 }
225
SmMo2As
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450041
[ "Mn", "Sr", "Mo" ]
[ 38, 38, 38, 38, 25, 25, 25, 25, 42, 42, 42, 42, 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, 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": 6.471007823944092, "b": 6.471007823944092, "c": 6.471007823944092, "alpha": 90, "beta": 90, "gamma": 90 }
225
SrMnMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450056
[ "Mo", "Sm", "Th" ]
[ 62, 62, 62, 62, 90, 90, 90, 90, 42, 42, 42, 42, 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, 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": 7.121496200561523, "b": 7.121496200561523, "c": 7.121496200561523, "alpha": 90, "beta": 90, "gamma": 90 }
225
SmThMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450068
[ "Mo", "Gd", "Dy" ]
[ 64, 64, 64, 64, 66, 66, 66, 66, 42, 42, 42, 42, 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, 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": 6.986326217651367, "b": 6.986326217651367, "c": 6.986326217651367, "alpha": 90, "beta": 90, "gamma": 90 }
225
GdDyMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450086
[ "Ni", "Mo", "Dy" ]
[ 66, 66, 66, 66, 28, 28, 28, 28, 42, 42, 42, 42, 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, 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": 6.402857780456543, "b": 6.402857780456543, "c": 6.402857780456543, "alpha": 90, "beta": 90, "gamma": 90 }
225
DyNiMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450099
[ "Na", "Mo", "Te" ]
[ 11, 11, 11, 11, 52, 52, 52, 52, 42, 42, 42, 42, 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, 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": 6.567252159118652, "b": 6.567252159118652, "c": 6.567252159118652, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaTeMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450112
[ "Mo", "Hf", "Ta" ]
[ 72, 72, 72, 72, 73, 73, 73, 73, 42, 42, 42, 42, 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, 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": 6.526740074157715, "b": 6.526740074157715, "c": 6.526740074157715, "alpha": 90, "beta": 90, "gamma": 90 }
225
HfTaMo2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450131
[ "As", "Mo", "Gd" ]
[ 64, 64, 64, 64, 42, 42, 42, 42, 42, 42, 42, 42, 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": 6.53646183013916, "b": 6.53646183013916, "c": 6.53646183013916, "alpha": 90, "beta": 90, "gamma": 90 }
225
GdMo2As
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450142
[ "Li", "Zr", "Mo" ]
[ 3, 3, 3, 3, 40, 40, 40, 40, 42, 42, 42, 42, 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, 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": 6.433065891265869, "b": 6.433065891265869, "c": 6.433065891265869, "alpha": 90, "beta": 90, "gamma": 90 }
225
LiZrMo2
general_inorganic
true
4
null
null
null
null
[ "li" ]
external_cif_tar
tar:OQMD_450166
[ "Tc", "Rh", "Os" ]
[ 43, 43, 43, 43, 76, 76, 76, 76, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.107855796813965, "b": 6.107855796813965, "c": 6.107855796813965, "alpha": 90, "beta": 90, "gamma": 90 }
225
TcOsRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450176
[ "Rh", "Nd", "Re" ]
[ 60, 60, 60, 60, 75, 75, 75, 75, 45, 45, 45, 45, 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, 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": 6.558800220489502, "b": 6.558800220489502, "c": 6.558800220489502, "alpha": 90, "beta": 90, "gamma": 90 }
225
NdReRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450195
[ "Rh", "La", "Hf" ]
[ 57, 57, 57, 57, 72, 72, 72, 72, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.81517219543457, "b": 6.81517219543457, "c": 6.81517219543457, "alpha": 90, "beta": 90, "gamma": 90 }
225
LaHfRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450209
[ "Ca", "Cr", "Rh" ]
[ 20, 20, 20, 20, 24, 24, 24, 24, 45, 45, 45, 45, 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, 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": 6.308239936828613, "b": 6.308239936828613, "c": 6.308239936828613, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaCrRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450246
[ "Rh", "La", "Pm" ]
[ 57, 57, 57, 57, 61, 61, 61, 61, 45, 45, 45, 45, 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, 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": 7.066507816314697, "b": 7.066507816314697, "c": 7.066507816314697, "alpha": 90, "beta": 90, "gamma": 90 }
225
LaPmRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450270
[ "V", "Rh", "Np" ]
[ 93, 93, 93, 93, 23, 23, 23, 23, 45, 45, 45, 45, 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, 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": 6.3885498046875, "b": 6.3885498046875, "c": 6.3885498046875, "alpha": 90, "beta": 90, "gamma": 90 }
225
NpVRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450287
[ "Ni", "As", "Rh" ]
[ 28, 28, 28, 28, 33, 33, 33, 33, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 5.998958110809326, "b": 5.998958110809326, "c": 5.998958110809326, "alpha": 90, "beta": 90, "gamma": 90 }
225
NiAsRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450300
[ "Rh", "Ta", "W" ]
[ 73, 73, 73, 73, 45, 45, 45, 45, 45, 45, 45, 45, 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": 6.291985988616943, "b": 6.291985988616943, "c": 6.291985988616943, "alpha": 90, "beta": 90, "gamma": 90 }
225
TaRh2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450310
[ "Sc", "Rh", "W" ]
[ 21, 21, 21, 21, 45, 45, 45, 45, 45, 45, 45, 45, 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": 6.305840015411377, "b": 6.305840015411377, "c": 6.305840015411377, "alpha": 90, "beta": 90, "gamma": 90 }
225
ScRh2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450327
[ "Cu", "Rh", "Eu" ]
[ 63, 63, 63, 63, 29, 29, 29, 29, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.361976146697998, "b": 6.361976146697998, "c": 6.361976146697998, "alpha": 90, "beta": 90, "gamma": 90 }
225
EuCuRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450343
[ "K", "Rh", "Pu" ]
[ 19, 19, 19, 19, 94, 94, 94, 94, 45, 45, 45, 45, 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, 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": 6.808445930480957, "b": 6.808445930480957, "c": 6.808445930480957, "alpha": 90, "beta": 90, "gamma": 90 }
225
KPuRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450360
[ "Y", "Rh", "Hf" ]
[ 39, 39, 39, 39, 72, 72, 72, 72, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.656251907348633, "b": 6.656251907348633, "c": 6.656251907348633, "alpha": 90, "beta": 90, "gamma": 90 }
225
YHfRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450371
[ "Rh", "Dy", "Th" ]
[ 66, 66, 66, 66, 90, 90, 90, 90, 45, 45, 45, 45, 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, 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": 7.015682220458984, "b": 7.015682220458984, "c": 7.015682220458984, "alpha": 90, "beta": 90, "gamma": 90 }
225
DyThRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450382
[ "Li", "Rh", "Er" ]
[ 3, 3, 3, 3, 68, 68, 68, 68, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.3658881187438965, "b": 6.3658881187438965, "c": 6.3658881187438965, "alpha": 90, "beta": 90, "gamma": 90 }
225
LiErRh2
general_inorganic
true
4
null
null
null
null
[ "li" ]
external_cif_tar
tar:OQMD_450393
[ "Rh", "Tb", "Ta" ]
[ 65, 65, 65, 65, 73, 73, 73, 73, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.575141906738281, "b": 6.575141906738281, "c": 6.575141906738281, "alpha": 90, "beta": 90, "gamma": 90 }
225
TbTaRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450420
[ "Zn", "Rh", "Gd" ]
[ 64, 64, 64, 64, 30, 30, 30, 30, 45, 45, 45, 45, 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, 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": 6.483473777770996, "b": 6.483473777770996, "c": 6.483473777770996, "alpha": 90, "beta": 90, "gamma": 90 }
225
GdZnRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_Hp0cZT0wzj91arjgMhnqiIKVNKJG
[ "Ni", "Rh", "Te" ]
[ 28, 28, 28, 28, 52, 52, 52, 52, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.231013298034668, "b": 6.231013298034668, "c": 6.231013298034668, "alpha": 90, "beta": 90, "gamma": 90 }
225
NiTeRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450466
[ "Rh", "Ce", "Pt" ]
[ 58, 58, 58, 58, 78, 78, 78, 78, 45, 45, 45, 45, 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, 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": 6.606847763061523, "b": 6.606847763061523, "c": 6.606847763061523, "alpha": 90, "beta": 90, "gamma": 90 }
225
CePtRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450495
[ "Rh", "Pa", "Pu" ]
[ 94, 94, 94, 94, 91, 91, 91, 91, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.744579792022705, "b": 6.744579792022705, "c": 6.744579792022705, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuPaRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450515
[ "Co", "Rh", "Ag" ]
[ 27, 27, 27, 27, 47, 47, 47, 47, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.0952582359313965, "b": 6.0952582359313965, "c": 6.0952582359313965, "alpha": 90, "beta": 90, "gamma": 90 }
225
CoAgRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450531
[ "Al", "Rh", "W" ]
[ 13, 13, 13, 13, 45, 45, 45, 45, 45, 45, 45, 45, 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": 6.1777520179748535, "b": 6.1777520179748535, "c": 6.1777520179748535, "alpha": 90, "beta": 90, "gamma": 90 }
225
AlRh2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450550
[ "Rh", "Bi", "U" ]
[ 92, 92, 92, 92, 83, 83, 83, 83, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.798617839813232, "b": 6.798617839813232, "c": 6.798617839813232, "alpha": 90, "beta": 90, "gamma": 90 }
225
UBiRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450568
[ "Rh", "Cs", "Ir" ]
[ 55, 55, 55, 55, 77, 77, 77, 77, 45, 45, 45, 45, 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, 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": 6.679520130157471, "b": 6.679520130157471, "c": 6.679520130157471, "alpha": 90, "beta": 90, "gamma": 90 }
225
CsIrRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450582
[ "Rh", "La", "Tb" ]
[ 57, 57, 57, 57, 65, 65, 65, 65, 45, 45, 45, 45, 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, 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": 6.999186038970947, "b": 6.999186038970947, "c": 6.999186038970947, "alpha": 90, "beta": 90, "gamma": 90 }
225
LaTbRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450599
[ "Rh", "Ba", "Bi" ]
[ 56, 56, 56, 56, 83, 83, 83, 83, 45, 45, 45, 45, 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, 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": 7.124090194702148, "b": 7.124090194702148, "c": 7.124090194702148, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaBiRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450612
[ "Rh", "W", "Pu" ]
[ 94, 94, 94, 94, 45, 45, 45, 45, 45, 45, 45, 45, 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": 6.44674015045166, "b": 6.44674015045166, "c": 6.44674015045166, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuRh2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450627
[ "Rh", "Ac", "Pa" ]
[ 89, 89, 89, 89, 91, 91, 91, 91, 45, 45, 45, 45, 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, 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": 7.144777774810791, "b": 7.144777774810791, "c": 7.144777774810791, "alpha": 90, "beta": 90, "gamma": 90 }
225
AcPaRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450644
[ "Co", "Rh", "Tm" ]
[ 69, 69, 69, 69, 27, 27, 27, 27, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.347976207733154, "b": 6.347976207733154, "c": 6.347976207733154, "alpha": 90, "beta": 90, "gamma": 90 }
225
TmCoRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450660
[ "Rh", "Ta", "Ac" ]
[ 89, 89, 89, 89, 73, 73, 73, 73, 45, 45, 45, 45, 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, 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": 6.822244167327881, "b": 6.822244167327881, "c": 6.822244167327881, "alpha": 90, "beta": 90, "gamma": 90 }
225
AcTaRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450674
[ "K", "Ru", "Rh" ]
[ 19, 19, 19, 19, 44, 44, 44, 44, 45, 45, 45, 45, 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, 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": 6.518896102905273, "b": 6.518896102905273, "c": 6.518896102905273, "alpha": 90, "beta": 90, "gamma": 90 }
225
KRuRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450705
[ "Co", "Rh", "Ho" ]
[ 67, 67, 67, 67, 27, 27, 27, 27, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.326754093170166, "b": 6.326754093170166, "c": 6.326754093170166, "alpha": 90, "beta": 90, "gamma": 90 }
225
HoCoRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_euTrgkGSTalI21LwaUKrpS1gg6gK
[ "K", "Rh", "Tl" ]
[ 19, 19, 19, 19, 81, 81, 81, 81, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.8046135902404785, "b": 6.8046135902404785, "c": 6.8046135902404785, "alpha": 90, "beta": 90, "gamma": 90 }
225
KTlRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_zt15hBNpylVmA9UoUAtzTazGhuOs
[ "Na", "Ni", "Rh" ]
[ 11, 11, 11, 11, 28, 28, 28, 28, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.098952293395996, "b": 6.098952293395996, "c": 6.098952293395996, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaNiRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450767
[ "Zn", "Rh", "Nd" ]
[ 60, 60, 60, 60, 30, 30, 30, 30, 45, 45, 45, 45, 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, 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": 6.584680080413818, "b": 6.584680080413818, "c": 6.584680080413818, "alpha": 90, "beta": 90, "gamma": 90 }
225
NdZnRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450796
[ "Na", "Rh", "Ce" ]
[ 11, 11, 11, 11, 58, 58, 58, 58, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.838630199432373, "b": 6.838630199432373, "c": 6.838630199432373, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaCeRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450812
[ "As", "Rh", "Cs" ]
[ 55, 55, 55, 55, 33, 33, 33, 33, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.779652118682861, "b": 6.779652118682861, "c": 6.779652118682861, "alpha": 90, "beta": 90, "gamma": 90 }
225
CsAsRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450825
[ "Ge", "Rh", "Au" ]
[ 32, 32, 32, 32, 45, 45, 45, 45, 45, 45, 45, 45, 79, 79, 79, 79 ]
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": 6.257986068725586, "b": 6.257986068725586, "c": 6.257986068725586, "alpha": 90, "beta": 90, "gamma": 90 }
225
GeRh2Au
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450840
[ "Mg", "Rh", "Os" ]
[ 12, 12, 12, 12, 76, 76, 76, 76, 45, 45, 45, 45, 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, 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": 6.151644229888916, "b": 6.151644229888916, "c": 6.151644229888916, "alpha": 90, "beta": 90, "gamma": 90 }
225
MgOsRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450853
[ "Rh", "Pm", "Er" ]
[ 61, 61, 61, 61, 68, 68, 68, 68, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.876172065734863, "b": 6.876172065734863, "c": 6.876172065734863, "alpha": 90, "beta": 90, "gamma": 90 }
225
PmErRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450866
[ "Rh", "Sb", "Nd" ]
[ 60, 60, 60, 60, 51, 51, 51, 51, 45, 45, 45, 45, 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, 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": 6.774980068206787, "b": 6.774980068206787, "c": 6.774980068206787, "alpha": 90, "beta": 90, "gamma": 90 }
225
NdSbRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450881
[ "Rh", "Ir", "Pa" ]
[ 91, 91, 91, 91, 77, 77, 77, 77, 45, 45, 45, 45, 45, 45, 45, 45 ]
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": 6.507147789001465, "b": 6.507147789001465, "c": 6.507147789001465, "alpha": 90, "beta": 90, "gamma": 90 }
225
PaIrRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_450909
[ "Tc", "Rh", "La" ]
[ 57, 57, 57, 57, 43, 43, 43, 43, 45, 45, 45, 45, 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, 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": 6.620719909667969, "b": 6.620719909667969, "c": 6.620719909667969, "alpha": 90, "beta": 90, "gamma": 90 }
225
LaTcRh2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar