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
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.