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_512649
[ "Cd", "Hg", "Np" ]
[ 93, 93, 93, 93, 48, 48, 48, 48, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.157137870788574, "b": 7.157137870788574, "c": 7.157137870788574, "alpha": 90, "beta": 90, "gamma": 90 }
225
NpCdHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512677
[ "Ti", "Hg", "Tl" ]
[ 22, 22, 22, 22, 81, 81, 81, 81, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.989739894866943, "b": 6.989739894866943, "c": 6.989739894866943, "alpha": 90, "beta": 90, "gamma": 90 }
225
TiTlHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD__b7F9yR1vf57CDKDx8q8qNkb-7G8
[ "Cr", "Ta", "Hg" ]
[ 73, 73, 73, 73, 24, 24, 24, 24, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.582115173339844, "b": 6.582115173339844, "c": 6.582115173339844, "alpha": 90, "beta": 90, "gamma": 90 }
225
TaCrHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512709
[ "Sc", "Ba", "Hg" ]
[ 56, 56, 56, 56, 21, 21, 21, 21, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.642913818359375, "b": 7.642913818359375, "c": 7.642913818359375, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaScHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512726
[ "Al", "Pr", "Hg" ]
[ 59, 59, 59, 59, 13, 13, 13, 13, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.2263641357421875, "b": 7.2263641357421875, "c": 7.2263641357421875, "alpha": 90, "beta": 90, "gamma": 90 }
225
PrAlHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512745
[ "Ag", "Hg", "Tl" ]
[ 81, 81, 81, 81, 47, 47, 47, 47, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.124785900115967, "b": 7.124785900115967, "c": 7.124785900115967, "alpha": 90, "beta": 90, "gamma": 90 }
225
TlAgHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512763
[ "Er", "Hg", "Np" ]
[ 68, 68, 68, 68, 93, 93, 93, 93, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.414495944976807, "b": 7.414495944976807, "c": 7.414495944976807, "alpha": 90, "beta": 90, "gamma": 90 }
225
ErNpHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512782
[ "Mo", "La", "Hg" ]
[ 57, 57, 57, 57, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.208631992340088, "b": 7.208631992340088, "c": 7.208631992340088, "alpha": 90, "beta": 90, "gamma": 90 }
225
LaHg2Mo
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512796
[ "Hg", "U", "Np" ]
[ 93, 93, 93, 93, 92, 92, 92, 92, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.434711933135986, "b": 7.434711933135986, "c": 7.434711933135986, "alpha": 90, "beta": 90, "gamma": 90 }
225
NpUHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512811
[ "Os", "Ir", "Hg" ]
[ 80, 80, 80, 80, 80, 80, 80, 80, 77, 77, 77, 77, 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": 6.486073970794678, "b": 6.486073970794678, "c": 6.486073970794678, "alpha": 90, "beta": 90, "gamma": 90 }
225
Hg2IrOs
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512829
[ "La", "Ho", "Hg" ]
[ 57, 57, 57, 57, 67, 67, 67, 67, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.517665863037109, "b": 7.517665863037109, "c": 7.517665863037109, "alpha": 90, "beta": 90, "gamma": 90 }
225
LaHoHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512844
[ "Gd", "Hf", "Hg" ]
[ 64, 64, 64, 64, 72, 72, 72, 72, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.161178112030029, "b": 7.161178112030029, "c": 7.161178112030029, "alpha": 90, "beta": 90, "gamma": 90 }
225
GdHfHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512875
[ "Co", "Hf", "Hg" ]
[ 72, 72, 72, 72, 27, 27, 27, 27, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.602950096130371, "b": 6.602950096130371, "c": 6.602950096130371, "alpha": 90, "beta": 90, "gamma": 90 }
225
HfCoHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512891
[ "Ti", "Ga", "Hg" ]
[ 22, 22, 22, 22, 31, 31, 31, 31, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.8441901206970215, "b": 6.8441901206970215, "c": 6.8441901206970215, "alpha": 90, "beta": 90, "gamma": 90 }
225
TiGaHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512928
[ "Te", "Ta", "Hg" ]
[ 73, 73, 73, 73, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.130340099334717, "b": 7.130340099334717, "c": 7.130340099334717, "alpha": 90, "beta": 90, "gamma": 90 }
225
TaHg2Te
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512940
[ "Zr", "Hg", "Th" ]
[ 90, 90, 90, 90, 40, 40, 40, 40, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.385673999786377, "b": 7.385673999786377, "c": 7.385673999786377, "alpha": 90, "beta": 90, "gamma": 90 }
225
ThZrHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512957
[ "Mo", "Te", "Hg" ]
[ 80, 80, 80, 80, 80, 80, 80, 80, 52, 52, 52, 52, 42, 42, 42, 42 ]
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": 7.025512218475342, "b": 7.025512218475342, "c": 7.025512218475342, "alpha": 90, "beta": 90, "gamma": 90 }
225
Hg2TeMo
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512970
[ "Li", "As", "Hg" ]
[ 3, 3, 3, 3, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.963076114654541, "b": 6.963076114654541, "c": 6.963076114654541, "alpha": 90, "beta": 90, "gamma": 90 }
225
LiHg2As
general_inorganic
true
4
null
null
null
null
[ "li" ]
external_cif_tar
tar:OQMD_512983
[ "Ge", "Eu", "Hg" ]
[ 63, 63, 63, 63, 80, 80, 80, 80, 80, 80, 80, 80, 32, 32, 32, 32 ]
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": 7.270415782928467, "b": 7.270415782928467, "c": 7.270415782928467, "alpha": 90, "beta": 90, "gamma": 90 }
225
EuHg2Ge
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_512995
[ "Si", "Dy", "Hg" ]
[ 66, 66, 66, 66, 14, 14, 14, 14, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.097097873687744, "b": 7.097097873687744, "c": 7.097097873687744, "alpha": 90, "beta": 90, "gamma": 90 }
225
DySiHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513010
[ "Mo", "Tc", "Hg" ]
[ 43, 43, 43, 43, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.5035200119018555, "b": 6.5035200119018555, "c": 6.5035200119018555, "alpha": 90, "beta": 90, "gamma": 90 }
225
TcHg2Mo
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513025
[ "Mo", "Sm", "Hg" ]
[ 62, 62, 62, 62, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.017615795135498, "b": 7.017615795135498, "c": 7.017615795135498, "alpha": 90, "beta": 90, "gamma": 90 }
225
SmHg2Mo
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513042
[ "Rb", "Cs", "Hg" ]
[ 55, 55, 55, 55, 37, 37, 37, 37, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 8.83616828918457, "b": 8.83616828918457, "c": 8.83616828918457, "alpha": 90, "beta": 90, "gamma": 90 }
225
CsRbHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513063
[ "Al", "Sb", "Hg" ]
[ 13, 13, 13, 13, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.201794147491455, "b": 7.201794147491455, "c": 7.201794147491455, "alpha": 90, "beta": 90, "gamma": 90 }
225
AlHg2Sb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513078
[ "Fe", "Te", "Hg" ]
[ 26, 26, 26, 26, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.159336090087891, "b": 7.159336090087891, "c": 7.159336090087891, "alpha": 90, "beta": 90, "gamma": 90 }
225
FeHg2Te
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513094
[ "Mo", "Hg", "Th" ]
[ 90, 90, 90, 90, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.215603828430176, "b": 7.215603828430176, "c": 7.215603828430176, "alpha": 90, "beta": 90, "gamma": 90 }
225
ThHg2Mo
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513110
[ "Mo", "Os", "Hg" ]
[ 80, 80, 80, 80, 80, 80, 80, 80, 42, 42, 42, 42, 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": 6.492715835571289, "b": 6.492715835571289, "c": 6.492715835571289, "alpha": 90, "beta": 90, "gamma": 90 }
225
Hg2MoOs
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513141
[ "Co", "Hg", "Pa" ]
[ 91, 91, 91, 91, 27, 27, 27, 27, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.912829875946045, "b": 6.912829875946045, "c": 6.912829875946045, "alpha": 90, "beta": 90, "gamma": 90 }
225
PaCoHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513157
[ "Pd", "Hg", "Pa" ]
[ 91, 91, 91, 91, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.988554000854492, "b": 6.988554000854492, "c": 6.988554000854492, "alpha": 90, "beta": 90, "gamma": 90 }
225
PaHg2Pd
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513176
[ "Tc", "Pr", "Hg" ]
[ 59, 59, 59, 59, 43, 43, 43, 43, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.214387893676758, "b": 6.214387893676758, "c": 6.214387893676758, "alpha": 90, "beta": 90, "gamma": 90 }
225
PrTcHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513191
[ "Tc", "La", "Hg" ]
[ 57, 57, 57, 57, 43, 43, 43, 43, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.090497970581055, "b": 7.090497970581055, "c": 7.090497970581055, "alpha": 90, "beta": 90, "gamma": 90 }
225
LaTcHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513207
[ "In", "Cs", "Hg" ]
[ 55, 55, 55, 55, 49, 49, 49, 49, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 8.160087585449219, "b": 8.160087585449219, "c": 8.160087585449219, "alpha": 90, "beta": 90, "gamma": 90 }
225
CsInHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513228
[ "Ir", "Pt", "Hg" ]
[ 80, 80, 80, 80, 80, 80, 80, 80, 77, 77, 77, 77, 78, 78, 78, 78 ]
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": 6.521830081939697, "b": 6.521830081939697, "c": 6.521830081939697, "alpha": 90, "beta": 90, "gamma": 90 }
225
Hg2IrPt
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513244
[ "V", "Sm", "Hg" ]
[ 62, 62, 62, 62, 23, 23, 23, 23, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.057484149932861, "b": 7.057484149932861, "c": 7.057484149932861, "alpha": 90, "beta": 90, "gamma": 90 }
225
SmVHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513259
[ "Eu", "Tm", "Hg" ]
[ 63, 63, 63, 63, 69, 69, 69, 69, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.413482189178467, "b": 7.413482189178467, "c": 7.413482189178467, "alpha": 90, "beta": 90, "gamma": 90 }
225
EuTmHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513273
[ "Cs", "Re", "Hg" ]
[ 55, 55, 55, 55, 75, 75, 75, 75, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.861534118652344, "b": 7.861534118652344, "c": 7.861534118652344, "alpha": 90, "beta": 90, "gamma": 90 }
225
CsReHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513310
[ "Ca", "Mo", "Hg" ]
[ 20, 20, 20, 20, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.021180152893066, "b": 7.021180152893066, "c": 7.021180152893066, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaHg2Mo
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513321
[ "Pd", "Sn", "Hg" ]
[ 50, 50, 50, 50, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.955808162689209, "b": 6.955808162689209, "c": 6.955808162689209, "alpha": 90, "beta": 90, "gamma": 90 }
225
SnHg2Pd
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513333
[ "Be", "Lu", "Hg" ]
[ 71, 71, 71, 71, 4, 4, 4, 4, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.791672229766846, "b": 6.791672229766846, "c": 6.791672229766846, "alpha": 90, "beta": 90, "gamma": 90 }
225
LuBeHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513349
[ "Zr", "Hg", "Bi" ]
[ 40, 40, 40, 40, 80, 80, 80, 80, 80, 80, 80, 80, 83, 83, 83, 83 ]
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": 7.294722080230713, "b": 7.294722080230713, "c": 7.294722080230713, "alpha": 90, "beta": 90, "gamma": 90 }
225
ZrHg2Bi
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513365
[ "Sr", "Sm", "Hg" ]
[ 38, 38, 38, 38, 62, 62, 62, 62, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.653860092163086, "b": 7.653860092163086, "c": 7.653860092163086, "alpha": 90, "beta": 90, "gamma": 90 }
225
SrSmHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513379
[ "Yb", "Au", "Hg" ]
[ 70, 70, 70, 70, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.998228073120117, "b": 6.998228073120117, "c": 6.998228073120117, "alpha": 90, "beta": 90, "gamma": 90 }
225
YbHg2Au
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513396
[ "Zn", "W", "Hg" ]
[ 30, 30, 30, 30, 80, 80, 80, 80, 80, 80, 80, 80, 74, 74, 74, 74 ]
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": 6.7013678550720215, "b": 6.7013678550720215, "c": 6.7013678550720215, "alpha": 90, "beta": 90, "gamma": 90 }
225
ZnHg2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513410
[ "K", "Cd", "Hg" ]
[ 19, 19, 19, 19, 48, 48, 48, 48, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.7206339836120605, "b": 7.7206339836120605, "c": 7.7206339836120605, "alpha": 90, "beta": 90, "gamma": 90 }
225
KCdHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513425
[ "Ir", "Hg", "Th" ]
[ 90, 90, 90, 90, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.076610088348389, "b": 7.076610088348389, "c": 7.076610088348389, "alpha": 90, "beta": 90, "gamma": 90 }
225
ThHg2Ir
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513441
[ "Ni", "Yb", "Hg" ]
[ 70, 70, 70, 70, 28, 28, 28, 28, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.881661891937256, "b": 6.881661891937256, "c": 6.881661891937256, "alpha": 90, "beta": 90, "gamma": 90 }
225
YbNiHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513474
[ "Pm", "Hg", "Tl" ]
[ 61, 61, 61, 61, 81, 81, 81, 81, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.328455924987793, "b": 7.328455924987793, "c": 7.328455924987793, "alpha": 90, "beta": 90, "gamma": 90 }
225
PmTlHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513492
[ "Ca", "V", "Hg" ]
[ 20, 20, 20, 20, 23, 23, 23, 23, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.0330657958984375, "b": 7.0330657958984375, "c": 7.0330657958984375, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaVHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513510
[ "Ba", "Hg", "Pu" ]
[ 56, 56, 56, 56, 94, 94, 94, 94, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.943505764007568, "b": 7.943505764007568, "c": 7.943505764007568, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaPuHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513524
[ "Ce", "Pm", "Hg" ]
[ 58, 58, 58, 58, 61, 61, 61, 61, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.5754499435424805, "b": 7.5754499435424805, "c": 7.5754499435424805, "alpha": 90, "beta": 90, "gamma": 90 }
225
CePmHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513538
[ "Be", "Tc", "Hg" ]
[ 4, 4, 4, 4, 43, 43, 43, 43, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.4356560707092285, "b": 6.4356560707092285, "c": 6.4356560707092285, "alpha": 90, "beta": 90, "gamma": 90 }
225
BeTcHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_FIs8a__SNvzkjGEVE6GwXIij4kbQ
[ "Gd", "Hg", "Tl" ]
[ 64, 64, 64, 64, 81, 81, 81, 81, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.278193473815918, "b": 7.278193473815918, "c": 7.278193473815918, "alpha": 90, "beta": 90, "gamma": 90 }
225
GdTlHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513564
[ "Ru", "Hg", "Pa" ]
[ 91, 91, 91, 91, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.966457843780518, "b": 6.966457843780518, "c": 6.966457843780518, "alpha": 90, "beta": 90, "gamma": 90 }
225
PaHg2Ru
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513578
[ "Cr", "Mn", "Hg" ]
[ 25, 25, 25, 25, 24, 24, 24, 24, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.3383378982543945, "b": 6.3383378982543945, "c": 6.3383378982543945, "alpha": 90, "beta": 90, "gamma": 90 }
225
MnCrHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513597
[ "V", "Sb", "Hg" ]
[ 23, 23, 23, 23, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.017630100250244, "b": 7.017630100250244, "c": 7.017630100250244, "alpha": 90, "beta": 90, "gamma": 90 }
225
VHg2Sb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513610
[ "Mg", "As", "Hg" ]
[ 12, 12, 12, 12, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.947078227996826, "b": 6.947078227996826, "c": 6.947078227996826, "alpha": 90, "beta": 90, "gamma": 90 }
225
MgHg2As
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513620
[ "Zn", "Ba", "Hg" ]
[ 56, 56, 56, 56, 30, 30, 30, 30, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.745572090148926, "b": 7.745572090148926, "c": 7.745572090148926, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaZnHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513633
[ "Pr", "Hg", "Bi" ]
[ 59, 59, 59, 59, 80, 80, 80, 80, 80, 80, 80, 80, 83, 83, 83, 83 ]
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": 7.559912204742432, "b": 7.559912204742432, "c": 7.559912204742432, "alpha": 90, "beta": 90, "gamma": 90 }
225
PrHg2Bi
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513647
[ "Li", "Ti", "Hg" ]
[ 3, 3, 3, 3, 22, 22, 22, 22, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.634367942810059, "b": 6.634367942810059, "c": 6.634367942810059, "alpha": 90, "beta": 90, "gamma": 90 }
225
LiTiHg2
general_inorganic
true
4
null
null
null
null
[ "li" ]
external_cif_tar
tar:OQMD_513659
[ "Be", "Sn", "Hg" ]
[ 4, 4, 4, 4, 50, 50, 50, 50, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.95075798034668, "b": 6.95075798034668, "c": 6.95075798034668, "alpha": 90, "beta": 90, "gamma": 90 }
225
BeSnHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513692
[ "Cr", "Lu", "Hg" ]
[ 71, 71, 71, 71, 24, 24, 24, 24, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.853189945220947, "b": 6.853189945220947, "c": 6.853189945220947, "alpha": 90, "beta": 90, "gamma": 90 }
225
LuCrHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513710
[ "Er", "Hg", "Pa" ]
[ 68, 68, 68, 68, 91, 91, 91, 91, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.424930095672607, "b": 7.424930095672607, "c": 7.424930095672607, "alpha": 90, "beta": 90, "gamma": 90 }
225
ErPaHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513723
[ "Be", "Cu", "Hg" ]
[ 4, 4, 4, 4, 29, 29, 29, 29, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.3460822105407715, "b": 6.3460822105407715, "c": 6.3460822105407715, "alpha": 90, "beta": 90, "gamma": 90 }
225
BeCuHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513742
[ "Co", "Zr", "Hg" ]
[ 40, 40, 40, 40, 27, 27, 27, 27, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.6522722244262695, "b": 6.6522722244262695, "c": 6.6522722244262695, "alpha": 90, "beta": 90, "gamma": 90 }
225
ZrCoHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513757
[ "Ce", "Ta", "Hg" ]
[ 58, 58, 58, 58, 73, 73, 73, 73, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.198636054992676, "b": 7.198636054992676, "c": 7.198636054992676, "alpha": 90, "beta": 90, "gamma": 90 }
225
CeTaHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513772
[ "Ca", "Ga", "Hg" ]
[ 20, 20, 20, 20, 31, 31, 31, 31, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.243591785430908, "b": 7.243591785430908, "c": 7.243591785430908, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaGaHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_99sajQycLG6rFKNxFM9FR7pxSQuQ
[ "Rb", "Nb", "Hg" ]
[ 37, 37, 37, 37, 41, 41, 41, 41, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.576547622680664, "b": 7.576547622680664, "c": 7.576547622680664, "alpha": 90, "beta": 90, "gamma": 90 }
225
RbNbHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513803
[ "Ti", "Sb", "Hg" ]
[ 22, 22, 22, 22, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.064854145050049, "b": 7.064854145050049, "c": 7.064854145050049, "alpha": 90, "beta": 90, "gamma": 90 }
225
TiHg2Sb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513817
[ "Sc", "In", "Hg" ]
[ 21, 21, 21, 21, 49, 49, 49, 49, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.01540994644165, "b": 7.01540994644165, "c": 7.01540994644165, "alpha": 90, "beta": 90, "gamma": 90 }
225
ScInHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513829
[ "Zr", "W", "Hg" ]
[ 40, 40, 40, 40, 80, 80, 80, 80, 80, 80, 80, 80, 74, 74, 74, 74 ]
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": 6.761094093322754, "b": 6.761094093322754, "c": 6.761094093322754, "alpha": 90, "beta": 90, "gamma": 90 }
225
ZrHg2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513843
[ "Te", "Eu", "Hg" ]
[ 63, 63, 63, 63, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.5647101402282715, "b": 7.5647101402282715, "c": 7.5647101402282715, "alpha": 90, "beta": 90, "gamma": 90 }
225
EuHg2Te
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_4GbFWvZORLdWgPz4F0ZvTRpElCt3
[ "Si", "Hg", "Pa" ]
[ 91, 91, 91, 91, 14, 14, 14, 14, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.931149482727051, "b": 6.931149482727051, "c": 6.931149482727051, "alpha": 90, "beta": 90, "gamma": 90 }
225
PaSiHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513872
[ "Sn", "Hg", "Pb" ]
[ 50, 50, 50, 50, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.363431930541992, "b": 7.363431930541992, "c": 7.363431930541992, "alpha": 90, "beta": 90, "gamma": 90 }
225
SnHg2Pb
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513890
[ "Nd", "Hg", "Pa" ]
[ 60, 60, 60, 60, 91, 91, 91, 91, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.562049865722656, "b": 7.562049865722656, "c": 7.562049865722656, "alpha": 90, "beta": 90, "gamma": 90 }
225
NdPaHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513907
[ "Na", "Ca", "Hg" ]
[ 11, 11, 11, 11, 20, 20, 20, 20, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.463912010192871, "b": 7.463912010192871, "c": 7.463912010192871, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaCaHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513921
[ "Al", "Y", "Hg" ]
[ 39, 39, 39, 39, 13, 13, 13, 13, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.071869850158691, "b": 7.071869850158691, "c": 7.071869850158691, "alpha": 90, "beta": 90, "gamma": 90 }
225
YAlHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513938
[ "Sn", "Nd", "Hg" ]
[ 60, 60, 60, 60, 50, 50, 50, 50, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.378806114196777, "b": 7.378806114196777, "c": 7.378806114196777, "alpha": 90, "beta": 90, "gamma": 90 }
225
NdSnHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513955
[ "Cs", "Yb", "Hg" ]
[ 55, 55, 55, 55, 70, 70, 70, 70, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 8.211024284362793, "b": 8.211024284362793, "c": 8.211024284362793, "alpha": 90, "beta": 90, "gamma": 90 }
225
CsYbHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513969
[ "Tc", "Hg", "Bi" ]
[ 43, 43, 43, 43, 80, 80, 80, 80, 80, 80, 80, 80, 83, 83, 83, 83 ]
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": 7.023645877838135, "b": 7.023645877838135, "c": 7.023645877838135, "alpha": 90, "beta": 90, "gamma": 90 }
225
TcHg2Bi
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_513985
[ "Si", "Mo", "Hg" ]
[ 14, 14, 14, 14, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.789576053619385, "b": 6.789576053619385, "c": 6.789576053619385, "alpha": 90, "beta": 90, "gamma": 90 }
225
SiHg2Mo
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514000
[ "Na", "Re", "Hg" ]
[ 11, 11, 11, 11, 75, 75, 75, 75, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.827876091003418, "b": 6.827876091003418, "c": 6.827876091003418, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaReHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514033
[ "V", "Hf", "Hg" ]
[ 72, 72, 72, 72, 23, 23, 23, 23, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.745617866516113, "b": 6.745617866516113, "c": 6.745617866516113, "alpha": 90, "beta": 90, "gamma": 90 }
225
HfVHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514044
[ "Mg", "Co", "Hg" ]
[ 12, 12, 12, 12, 27, 27, 27, 27, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.551598072052002, "b": 6.551598072052002, "c": 6.551598072052002, "alpha": 90, "beta": 90, "gamma": 90 }
225
MgCoHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514058
[ "Si", "Ag", "Hg" ]
[ 14, 14, 14, 14, 47, 47, 47, 47, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.837553977966309, "b": 6.837553977966309, "c": 6.837553977966309, "alpha": 90, "beta": 90, "gamma": 90 }
225
SiAgHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514073
[ "Nb", "Ru", "Hg" ]
[ 41, 41, 41, 41, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.563796043395996, "b": 6.563796043395996, "c": 6.563796043395996, "alpha": 90, "beta": 90, "gamma": 90 }
225
NbHg2Ru
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514086
[ "Fe", "W", "Hg" ]
[ 26, 26, 26, 26, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.453301906585693, "b": 6.453301906585693, "c": 6.453301906585693, "alpha": 90, "beta": 90, "gamma": 90 }
225
FeHg2W
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514098
[ "Si", "Nb", "Hg" ]
[ 41, 41, 41, 41, 14, 14, 14, 14, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.84096622467041, "b": 6.84096622467041, "c": 6.84096622467041, "alpha": 90, "beta": 90, "gamma": 90 }
225
NbSiHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514111
[ "Nb", "Os", "Hg" ]
[ 41, 41, 41, 41, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.557866096496582, "b": 6.557866096496582, "c": 6.557866096496582, "alpha": 90, "beta": 90, "gamma": 90 }
225
NbHg2Os
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_S9rgJh37DfGZzUd9rJdja5uV5Yrg
[ "Ba", "Dy", "Hg" ]
[ 56, 56, 56, 56, 66, 66, 66, 66, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.810505390167236, "b": 7.810505390167236, "c": 7.810505390167236, "alpha": 90, "beta": 90, "gamma": 90 }
225
BaDyHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514147
[ "As", "Pt", "Hg" ]
[ 80, 80, 80, 80, 80, 80, 80, 80, 33, 33, 33, 33, 78, 78, 78, 78 ]
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": 6.728938102722168, "b": 6.728938102722168, "c": 6.728938102722168, "alpha": 90, "beta": 90, "gamma": 90 }
225
Hg2AsPt
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_ev_DtME4hc4lFReg0NBMyp-zYJAV
[ "Ca", "Fe", "Hg" ]
[ 20, 20, 20, 20, 26, 26, 26, 26, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.912967205047607, "b": 6.912967205047607, "c": 6.912967205047607, "alpha": 90, "beta": 90, "gamma": 90 }
225
CaFeHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514196
[ "Si", "Lu", "Hg" ]
[ 71, 71, 71, 71, 14, 14, 14, 14, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.037936210632324, "b": 7.037936210632324, "c": 7.037936210632324, "alpha": 90, "beta": 90, "gamma": 90 }
225
LuSiHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514212
[ "Al", "Sc", "Hg" ]
[ 21, 21, 21, 21, 13, 13, 13, 13, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.837212085723877, "b": 6.837212085723877, "c": 6.837212085723877, "alpha": 90, "beta": 90, "gamma": 90 }
225
ScAlHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514230
[ "K", "Ge", "Hg" ]
[ 19, 19, 19, 19, 80, 80, 80, 80, 80, 80, 80, 80, 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": 7.512028217315674, "b": 7.512028217315674, "c": 7.512028217315674, "alpha": 90, "beta": 90, "gamma": 90 }
225
KHg2Ge
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_bcbSBCo96pnYi32OBDYisZKoTYbF
[ "Nb", "Pm", "Hg" ]
[ 61, 61, 61, 61, 41, 41, 41, 41, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.121674060821533, "b": 7.121674060821533, "c": 7.121674060821533, "alpha": 90, "beta": 90, "gamma": 90 }
225
PmNbHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514272
[ "Eu", "Tb", "Hg" ]
[ 65, 65, 65, 65, 63, 63, 63, 63, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.478812217712402, "b": 7.478812217712402, "c": 7.478812217712402, "alpha": 90, "beta": 90, "gamma": 90 }
225
TbEuHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514287
[ "Cr", "Zr", "Hg" ]
[ 40, 40, 40, 40, 24, 24, 24, 24, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 6.738766193389893, "b": 6.738766193389893, "c": 6.738766193389893, "alpha": 90, "beta": 90, "gamma": 90 }
225
ZrCrHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514303
[ "Si", "Au", "Hg" ]
[ 14, 14, 14, 14, 80, 80, 80, 80, 80, 80, 80, 80, 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": 6.874983787536621, "b": 6.874983787536621, "c": 6.874983787536621, "alpha": 90, "beta": 90, "gamma": 90 }
225
SiHg2Au
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:NOMAD_kCFhiLl4z5i1ZrFtwOY5Jb4YCst8
[ "Co", "Sr", "Hg" ]
[ 38, 38, 38, 38, 27, 27, 27, 27, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.26810359954834, "b": 7.26810359954834, "c": 7.26810359954834, "alpha": 90, "beta": 90, "gamma": 90 }
225
SrCoHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar
tar:OQMD_514343
[ "Nd", "Er", "Hg" ]
[ 60, 60, 60, 60, 68, 68, 68, 68, 80, 80, 80, 80, 80, 80, 80, 80 ]
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": 7.430972099304199, "b": 7.430972099304199, "c": 7.430972099304199, "alpha": 90, "beta": 90, "gamma": 90 }
225
NdErHg2
general_inorganic
false
null
null
null
null
null
null
external_cif_tar