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_514355
|
[
"Hg",
"Ac",
"U"
] |
[
89,
89,
89,
89,
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": 7.7551960945129395,
"b": 7.7551960945129395,
"c": 7.7551960945129395,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AcUHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514369
|
[
"V",
"Nb",
"Hg"
] |
[
41,
41,
41,
41,
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": 6.636392116546631,
"b": 6.636392116546631,
"c": 6.636392116546631,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NbVHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514382
|
[
"V",
"La",
"Hg"
] |
[
57,
57,
57,
57,
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": 7.206902027130127,
"b": 7.206902027130127,
"c": 7.206902027130127,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaVHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514400
|
[
"Rh",
"Hg",
"Bi"
] |
[
80,
80,
80,
80,
80,
80,
80,
80,
83,
83,
83,
83,
45,
45,
45,
45
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.011045932769775,
"b": 7.011045932769775,
"c": 7.011045932769775,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Hg2BiRh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514417
|
[
"Al",
"Mo",
"Hg"
] |
[
13,
13,
13,
13,
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": 6.641503810882568,
"b": 6.641503810882568,
"c": 6.641503810882568,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AlHg2Mo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514436
|
[
"Gd",
"W",
"Hg"
] |
[
64,
64,
64,
64,
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": 6.975696086883545,
"b": 6.975696086883545,
"c": 6.975696086883545,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GdHg2W
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514453
|
[
"Sc",
"Tc",
"Hg"
] |
[
21,
21,
21,
21,
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": 6.675000190734863,
"b": 6.675000190734863,
"c": 6.675000190734863,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ScTcHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514468
|
[
"Sc",
"Mo",
"Hg"
] |
[
21,
21,
21,
21,
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": 6.73689603805542,
"b": 6.73689603805542,
"c": 6.73689603805542,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ScHg2Mo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514484
|
[
"Pr",
"Ta",
"Hg"
] |
[
59,
59,
59,
59,
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": 7.165247917175293,
"b": 7.165247917175293,
"c": 7.165247917175293,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PrTaHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514499
|
[
"Zr",
"Sb",
"Hg"
] |
[
40,
40,
40,
40,
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": 7.1800217628479,
"b": 7.1800217628479,
"c": 7.1800217628479,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ZrHg2Sb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514515
|
[
"Zn",
"Yb",
"Hg"
] |
[
70,
70,
70,
70,
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": 7.089784145355225,
"b": 7.089784145355225,
"c": 7.089784145355225,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YbZnHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514532
|
[
"V",
"Hg",
"Bi"
] |
[
23,
23,
23,
23,
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": 7.151224136352539,
"b": 7.151224136352539,
"c": 7.151224136352539,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
VHg2Bi
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514551
|
[
"Na",
"Hg",
"Pa"
] |
[
11,
11,
11,
11,
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": 7.316569805145264,
"b": 7.316569805145264,
"c": 7.316569805145264,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaPaHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514565
|
[
"Rh",
"Os",
"Hg"
] |
[
80,
80,
80,
80,
80,
80,
80,
80,
76,
76,
76,
76,
45,
45,
45,
45
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.4628400802612305,
"b": 6.4628400802612305,
"c": 6.4628400802612305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Hg2OsRh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514583
|
[
"Be",
"Eu",
"Hg"
] |
[
63,
63,
63,
63,
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": 7.023054122924805,
"b": 7.023054122924805,
"c": 7.023054122924805,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
EuBeHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514600
|
[
"Ho",
"Hg",
"Ac"
] |
[
89,
89,
89,
89,
67,
67,
67,
67,
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": 7.644167900085449,
"b": 7.644167900085449,
"c": 7.644167900085449,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AcHoHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514615
|
[
"Ru",
"Dy",
"Hg"
] |
[
66,
66,
66,
66,
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": 6.8585920333862305,
"b": 6.8585920333862305,
"c": 6.8585920333862305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyHg2Ru
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514632
|
[
"Rh",
"Hg",
"Tl"
] |
[
81,
81,
81,
81,
80,
80,
80,
80,
80,
80,
80,
80,
45,
45,
45,
45
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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": 6.859747886657715,
"b": 6.859747886657715,
"c": 6.859747886657715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TlHg2Rh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514646
|
[
"K",
"Tc",
"Hg"
] |
[
19,
19,
19,
19,
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": 7.376187801361084,
"b": 7.376187801361084,
"c": 7.376187801361084,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KTcHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514661
|
[
"Na",
"Hg",
"Pu"
] |
[
11,
11,
11,
11,
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": 7.390091896057129,
"b": 7.390091896057129,
"c": 7.390091896057129,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaPuHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514679
|
[
"V",
"Er",
"Hg"
] |
[
68,
68,
68,
68,
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": 6.924588203430176,
"b": 6.924588203430176,
"c": 6.924588203430176,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ErVHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514694
|
[
"K",
"Ho",
"Hg"
] |
[
19,
19,
19,
19,
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": 7.728164196014404,
"b": 7.728164196014404,
"c": 7.728164196014404,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KHoHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_AjHEyv-2uiQvLra1-rg41dwVnfn3
|
[
"K",
"Os",
"Hg"
] |
[
19,
19,
19,
19,
80,
80,
80,
80,
80,
80,
80,
80,
76,
76,
76,
76
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 7.10964822769165,
"b": 7.10964822769165,
"c": 7.10964822769165,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KHg2Os
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514728
|
[
"Ni",
"Sr",
"Hg"
] |
[
38,
38,
38,
38,
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": 7.228414058685303,
"b": 7.228414058685303,
"c": 7.228414058685303,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrNiHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514741
|
[
"Rb",
"Ir",
"Hg"
] |
[
37,
37,
37,
37,
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": 7.304083824157715,
"b": 7.304083824157715,
"c": 7.304083824157715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
RbHg2Ir
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514755
|
[
"Sc",
"Gd",
"Hg"
] |
[
64,
64,
64,
64,
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": 7.182908058166504,
"b": 7.182908058166504,
"c": 7.182908058166504,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GdScHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514771
|
[
"Mg",
"Rh",
"Hg"
] |
[
12,
12,
12,
12,
80,
80,
80,
80,
80,
80,
80,
80,
45,
45,
45,
45
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.5825700759887695,
"b": 6.5825700759887695,
"c": 6.5825700759887695,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgHg2Rh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514786
|
[
"B",
"Ba",
"Hg"
] |
[
56,
56,
56,
56,
80,
80,
80,
80,
80,
80,
80,
80,
5,
5,
5,
5
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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": 7.532266139984131,
"b": 7.532266139984131,
"c": 7.532266139984131,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BaHg2B
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514798
|
[
"Zr",
"Pr",
"Hg"
] |
[
59,
59,
59,
59,
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": 7.298054218292236,
"b": 7.298054218292236,
"c": 7.298054218292236,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PrZrHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514830
|
[
"Rh",
"Cd",
"Hg"
] |
[
48,
48,
48,
48,
80,
80,
80,
80,
80,
80,
80,
80,
45,
45,
45,
45
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.730882167816162,
"b": 6.730882167816162,
"c": 6.730882167816162,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CdHg2Rh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514842
|
[
"Mo",
"In",
"Hg"
] |
[
49,
49,
49,
49,
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": 6.894075870513916,
"b": 6.894075870513916,
"c": 6.894075870513916,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
InHg2Mo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514862
|
[
"Dy",
"W",
"Hg"
] |
[
66,
66,
66,
66,
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": 6.9382100105285645,
"b": 6.9382100105285645,
"c": 6.9382100105285645,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyHg2W
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514873
|
[
"Mn",
"Sr",
"Hg"
] |
[
38,
38,
38,
38,
25,
25,
25,
25,
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": 7.384255886077881,
"b": 7.384255886077881,
"c": 7.384255886077881,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrMnHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514888
|
[
"Nb",
"Nd",
"Hg"
] |
[
60,
60,
60,
60,
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": 7.153140068054199,
"b": 7.153140068054199,
"c": 7.153140068054199,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdNbHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514905
|
[
"Sr",
"Ru",
"Hg"
] |
[
38,
38,
38,
38,
80,
80,
80,
80,
80,
80,
80,
80,
44,
44,
44,
44
] | 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": 7.118686199188232,
"b": 7.118686199188232,
"c": 7.118686199188232,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrHg2Ru
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514922
|
[
"Si",
"Sm",
"Hg"
] |
[
62,
62,
62,
62,
14,
14,
14,
14,
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": 7.179245948791504,
"b": 7.179245948791504,
"c": 7.179245948791504,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SmSiHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514940
|
[
"Cu",
"Hg",
"Pu"
] |
[
94,
94,
94,
94,
29,
29,
29,
29,
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": 7.104358196258545,
"b": 7.104358196258545,
"c": 7.104358196258545,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PuCuHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514957
|
[
"Lu",
"Ta",
"Hg"
] |
[
71,
71,
71,
71,
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": 6.9445600509643555,
"b": 6.9445600509643555,
"c": 6.9445600509643555,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LuTaHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514971
|
[
"Re",
"Hg",
"Np"
] |
[
93,
93,
93,
93,
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": 6.872779846191406,
"b": 6.872779846191406,
"c": 6.872779846191406,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NpReHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_514988
|
[
"Cu",
"Hg",
"Np"
] |
[
93,
93,
93,
93,
29,
29,
29,
29,
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": 7.068394184112549,
"b": 7.068394184112549,
"c": 7.068394184112549,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NpCuHg2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515004
|
[
"Sc",
"Nb",
"Au"
] |
[
21,
21,
21,
21,
41,
41,
41,
41,
79,
79,
79,
79,
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,
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": 6.620336055755615,
"b": 6.620336055755615,
"c": 6.620336055755615,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ScNbAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515023
|
[
"Sn",
"Tm",
"Au"
] |
[
69,
69,
69,
69,
50,
50,
50,
50,
79,
79,
79,
79,
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,
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": 6.937222003936768,
"b": 6.937222003936768,
"c": 6.937222003936768,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TmSnAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515042
|
[
"Ca",
"Cr",
"Au"
] |
[
20,
20,
20,
20,
24,
24,
24,
24,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.745848178863525,
"b": 6.745848178863525,
"c": 6.745848178863525,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CaCrAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_t8g_u7oITnnZHsF06reYpdcsVWgQ
|
[
"Sb",
"Ce",
"Au"
] |
[
58,
58,
58,
58,
51,
51,
51,
51,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.179358005523682,
"b": 7.179358005523682,
"c": 7.179358005523682,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CeSbAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_uspemc8zIToJNzTnbkUcJdgusOH1
|
[
"Tc",
"Yb",
"Au"
] |
[
70,
70,
70,
70,
43,
43,
43,
43,
79,
79,
79,
79,
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,
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": 6.685931205749512,
"b": 6.685931205749512,
"c": 6.685931205749512,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YbTcAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_kopP-_O-sVSk8BtfMcpgLChQ-06G
|
[
"Lu",
"Au",
"Pu"
] |
[
71,
71,
71,
71,
94,
94,
94,
94,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.092055797576904,
"b": 7.092055797576904,
"c": 7.092055797576904,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LuPuAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515136
|
[
"Sn",
"Cs",
"Au"
] |
[
55,
55,
55,
55,
50,
50,
50,
50,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.75590181350708,
"b": 7.75590181350708,
"c": 7.75590181350708,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsSnAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515152
|
[
"Nd",
"Tm",
"Au"
] |
[
60,
60,
60,
60,
69,
69,
69,
69,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.17289400100708,
"b": 7.17289400100708,
"c": 7.17289400100708,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdTmAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_4oMCj1Mcgt9nZnWghyepom1IB7eh
|
[
"K",
"Pt",
"Au"
] |
[
19,
19,
19,
19,
78,
78,
78,
78,
79,
79,
79,
79,
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,
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": 6.919875144958496,
"b": 6.919875144958496,
"c": 6.919875144958496,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KPtAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515184
|
[
"Fe",
"Tc",
"Au"
] |
[
26,
26,
26,
26,
43,
43,
43,
43,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.253042221069336,
"b": 6.253042221069336,
"c": 6.253042221069336,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
FeTcAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_S7R0Nbaeo69tvdxYDddINl08AZvV
|
[
"Ni",
"Ce",
"Au"
] |
[
58,
58,
58,
58,
28,
28,
28,
28,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.949037075042725,
"b": 6.949037075042725,
"c": 6.949037075042725,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CeNiAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515211
|
[
"Mn",
"Lu",
"Au"
] |
[
71,
71,
71,
71,
25,
25,
25,
25,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.74110221862793,
"b": 6.74110221862793,
"c": 6.74110221862793,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LuMnAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_gEuwwRQXneLoc44XSkYovv5H6pLV
|
[
"Ba",
"Gd",
"Au"
] |
[
56,
56,
56,
56,
64,
64,
64,
64,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.544445514678955,
"b": 7.544445514678955,
"c": 7.544445514678955,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BaGdAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515239
|
[
"Na",
"Tb",
"Au"
] |
[
11,
11,
11,
11,
65,
65,
65,
65,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.053157806396484,
"b": 7.053157806396484,
"c": 7.053157806396484,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaTbAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515255
|
[
"Er",
"Yb",
"Au"
] |
[
70,
70,
70,
70,
68,
68,
68,
68,
79,
79,
79,
79,
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,
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": 7.047736167907715,
"b": 7.047736167907715,
"c": 7.047736167907715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YbErAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515270
|
[
"Be",
"Zn",
"Au"
] |
[
4,
4,
4,
4,
30,
30,
30,
30,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.163691997528076,
"b": 6.163691997528076,
"c": 6.163691997528076,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeZnAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_Ro8Q5ciA-FvBbTodig1o4W8KQRv1
|
[
"Ti",
"Yb",
"Au"
] |
[
70,
70,
70,
70,
22,
22,
22,
22,
79,
79,
79,
79,
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,
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": 6.768731117248535,
"b": 6.768731117248535,
"c": 6.768731117248535,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YbTiAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515336
|
[
"Mo",
"La",
"Au"
] |
[
57,
57,
57,
57,
42,
42,
42,
42,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.971652030944824,
"b": 6.971652030944824,
"c": 6.971652030944824,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaMoAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515350
|
[
"Na",
"Ag",
"Au"
] |
[
11,
11,
11,
11,
47,
47,
47,
47,
79,
79,
79,
79,
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,
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": 6.69994592666626,
"b": 6.69994592666626,
"c": 6.69994592666626,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaAgAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_mP5U7W3WP_7wYd2R4OOTDnej-6e-
|
[
"Ga",
"Dy",
"Au"
] |
[
66,
66,
66,
66,
31,
31,
31,
31,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.86043119430542,
"b": 6.86043119430542,
"c": 6.86043119430542,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyGaAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515393
|
[
"Cr",
"Re",
"Au"
] |
[
24,
24,
24,
24,
75,
75,
75,
75,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.2799201011657715,
"b": 6.2799201011657715,
"c": 6.2799201011657715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CrReAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515409
|
[
"Rh",
"Pd",
"Au"
] |
[
46,
46,
46,
46,
45,
45,
45,
45,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.356028079986572,
"b": 6.356028079986572,
"c": 6.356028079986572,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PdRhAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515426
|
[
"Co",
"Hf",
"Au"
] |
[
72,
72,
72,
72,
27,
27,
27,
27,
79,
79,
79,
79,
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,
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": 6.458568096160889,
"b": 6.458568096160889,
"c": 6.458568096160889,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HfCoAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515441
|
[
"Ti",
"Ga",
"Au"
] |
[
22,
22,
22,
22,
31,
31,
31,
31,
79,
79,
79,
79,
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,
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": 6.477322101593018,
"b": 6.477322101593018,
"c": 6.477322101593018,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TiGaAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515462
|
[
"Li",
"Pt",
"Au"
] |
[
3,
3,
3,
3,
78,
78,
78,
78,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.399481773376465,
"b": 6.399481773376465,
"c": 6.399481773376465,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LiPtAu2
|
general_inorganic
| true
| 4
| null | null | null | null |
[
"li"
] |
external_cif_tar
|
tar:OQMD_515480
|
[
"Mn",
"Au",
"Pb"
] |
[
25,
25,
25,
25,
82,
82,
82,
82,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.768966197967529,
"b": 6.768966197967529,
"c": 6.768966197967529,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MnPbAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515498
|
[
"Cu",
"Sr",
"Au"
] |
[
38,
38,
38,
38,
29,
29,
29,
29,
79,
79,
79,
79,
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,
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": 7.033952236175537,
"b": 7.033952236175537,
"c": 7.033952236175537,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrCuAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515516
|
[
"Ni",
"Zn",
"Au"
] |
[
30,
30,
30,
30,
28,
28,
28,
28,
79,
79,
79,
79,
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,
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": 6.213314056396484,
"b": 6.213314056396484,
"c": 6.213314056396484,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ZnNiAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515545
|
[
"Rh",
"Hf",
"Au"
] |
[
72,
72,
72,
72,
45,
45,
45,
45,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.463295936584473,
"b": 6.463295936584473,
"c": 6.463295936584473,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HfRhAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515561
|
[
"Mo",
"Tc",
"Au"
] |
[
43,
43,
43,
43,
42,
42,
42,
42,
79,
79,
79,
79,
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,
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": 6.343609809875488,
"b": 6.343609809875488,
"c": 6.343609809875488,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TcMoAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515587
|
[
"Be",
"Au",
"Hg"
] |
[
4,
4,
4,
4,
80,
80,
80,
80,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.443171977996826,
"b": 6.443171977996826,
"c": 6.443171977996826,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeHgAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515600
|
[
"Au",
"Pb",
"U"
] |
[
92,
92,
92,
92,
82,
82,
82,
82,
79,
79,
79,
79,
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,
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": 7.095128059387207,
"b": 7.095128059387207,
"c": 7.095128059387207,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
UPbAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_nRYu4pslnX5Ya7ihTB66LWKJBpdx
|
[
"Zr",
"Au",
"Np"
] |
[
40,
40,
40,
40,
93,
93,
93,
93,
79,
79,
79,
79,
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,
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": 7.0424933433532715,
"b": 7.0424933433532715,
"c": 7.0424933433532715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ZrNpAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515647
|
[
"Pd",
"Au",
"Tl"
] |
[
81,
81,
81,
81,
46,
46,
46,
46,
79,
79,
79,
79,
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,
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": 6.642405986785889,
"b": 6.642405986785889,
"c": 6.642405986785889,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TlPdAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515665
|
[
"V",
"Au",
"Hg"
] |
[
23,
23,
23,
23,
80,
80,
80,
80,
79,
79,
79,
79,
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,
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": 6.4808478355407715,
"b": 6.4808478355407715,
"c": 6.4808478355407715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
VHgAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515681
|
[
"V",
"Au",
"Pa"
] |
[
91,
91,
91,
91,
23,
23,
23,
23,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.908959865570068,
"b": 6.908959865570068,
"c": 6.908959865570068,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PaVAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515696
|
[
"Sb",
"Nd",
"Au"
] |
[
60,
60,
60,
60,
51,
51,
51,
51,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.1280598640441895,
"b": 7.1280598640441895,
"c": 7.1280598640441895,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdSbAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_vUzaVyte0PKNcKGZlGCpmRqcYoA7
|
[
"Ir",
"Au",
"Pa"
] |
[
91,
91,
91,
91,
77,
77,
77,
77,
79,
79,
79,
79,
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,
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": 6.800939559936523,
"b": 6.800939559936523,
"c": 6.800939559936523,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PaIrAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_H3LjFAFRo51MVOhNYHgrRt_53TMB
|
[
"Ru",
"Au",
"Ac"
] |
[
89,
89,
89,
89,
44,
44,
44,
44,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.992753982543945,
"b": 6.992753982543945,
"c": 6.992753982543945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AcRuAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515741
|
[
"Mg",
"Ba",
"Au"
] |
[
56,
56,
56,
56,
12,
12,
12,
12,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.405762195587158,
"b": 7.405762195587158,
"c": 7.405762195587158,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BaMgAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_4SlaMIxkuTOkVXv6n5T8VMAcnqWk
|
[
"In",
"Cs",
"Au"
] |
[
55,
55,
55,
55,
49,
49,
49,
49,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.827489376068115,
"b": 7.827489376068115,
"c": 7.827489376068115,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsInAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_wQnfxuWxHxMOwHFwkpFfuS-PX44a
|
[
"Ti",
"Nd",
"Au"
] |
[
60,
60,
60,
60,
22,
22,
22,
22,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.940577030181885,
"b": 6.940577030181885,
"c": 6.940577030181885,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdTiAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_e6GFOZbh7Ho_PV1RN_snr9GRMw4m
|
[
"Zr",
"Cs",
"Au"
] |
[
55,
55,
55,
55,
40,
40,
40,
40,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.477573394775391,
"b": 7.477573394775391,
"c": 7.477573394775391,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsZrAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_1IGduL8DIJOCcP8WhF3cvzFXm6Lq
|
[
"V",
"Au",
"Th"
] |
[
90,
90,
90,
90,
23,
23,
23,
23,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 7.037951469421387,
"b": 7.037951469421387,
"c": 7.037951469421387,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThVAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_1OOfO0aP-uXOXw0oa0msH-Gl06jI
|
[
"Dy",
"Pt",
"Au"
] |
[
66,
66,
66,
66,
78,
78,
78,
78,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.68152379989624,
"b": 6.68152379989624,
"c": 6.68152379989624,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyPtAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515862
|
[
"Ag",
"Ho",
"Au"
] |
[
67,
67,
67,
67,
47,
47,
47,
47,
79,
79,
79,
79,
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,
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": 6.8190178871154785,
"b": 6.8190178871154785,
"c": 6.8190178871154785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HoAgAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_ZD9mQVwApR_SGPMM8rOeGrCa45jY
|
[
"B",
"Rb",
"Au"
] |
[
37,
37,
37,
37,
5,
5,
5,
5,
79,
79,
79,
79,
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,
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": 7.177655220031738,
"b": 7.177655220031738,
"c": 7.177655220031738,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
RbBAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_oh5G6QR6MWmG3-dEsjadYxf4l4JX
|
[
"V",
"Au",
"U"
] |
[
92,
92,
92,
92,
23,
23,
23,
23,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.868781566619873,
"b": 6.868781566619873,
"c": 6.868781566619873,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
UVAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515937
|
[
"Zn",
"W",
"Au"
] |
[
30,
30,
30,
30,
74,
74,
74,
74,
79,
79,
79,
79,
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,
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": 6.449927806854248,
"b": 6.449927806854248,
"c": 6.449927806854248,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ZnWAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515951
|
[
"K",
"Cd",
"Au"
] |
[
19,
19,
19,
19,
48,
48,
48,
48,
79,
79,
79,
79,
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,
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": 7.266513824462891,
"b": 7.266513824462891,
"c": 7.266513824462891,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KCdAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515968
|
[
"Ge",
"Te",
"Au"
] |
[
32,
32,
32,
32,
52,
52,
52,
52,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.980236053466797,
"b": 6.980236053466797,
"c": 6.980236053466797,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GeTeAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_515984
|
[
"Tm",
"Os",
"Au"
] |
[
69,
69,
69,
69,
76,
76,
76,
76,
79,
79,
79,
79,
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,
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": 6.614041805267334,
"b": 6.614041805267334,
"c": 6.614041805267334,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TmOsAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_Oj1xxfuw3JrF5JqcyZ3dfU4CbpXD
|
[
"Sm",
"Eu",
"Au"
] |
[
62,
62,
62,
62,
63,
63,
63,
63,
79,
79,
79,
79,
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,
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": 7.261285781860352,
"b": 7.261285781860352,
"c": 7.261285781860352,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SmEuAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_516027
|
[
"Mo",
"Au",
"Bi"
] |
[
83,
83,
83,
83,
42,
42,
42,
42,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.871057987213135,
"b": 6.871057987213135,
"c": 6.871057987213135,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BiMoAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_516041
|
[
"Al",
"Co",
"Au"
] |
[
13,
13,
13,
13,
27,
27,
27,
27,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.223495960235596,
"b": 6.223495960235596,
"c": 6.223495960235596,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AlCoAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_516055
|
[
"B",
"La",
"Au"
] |
[
57,
57,
57,
57,
5,
5,
5,
5,
79,
79,
79,
79,
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,
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": 6.931131839752197,
"b": 6.931131839752197,
"c": 6.931131839752197,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaBAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_516068
|
[
"Cr",
"Zn",
"Au"
] |
[
30,
30,
30,
30,
24,
24,
24,
24,
79,
79,
79,
79,
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,
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": 6.396756172180176,
"b": 6.396756172180176,
"c": 6.396756172180176,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ZnCrAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_516081
|
[
"Ge",
"Er",
"Au"
] |
[
68,
68,
68,
68,
32,
32,
32,
32,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.851078033447266,
"b": 6.851078033447266,
"c": 6.851078033447266,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ErGeAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_516108
|
[
"Gd",
"Ta",
"Au"
] |
[
64,
64,
64,
64,
73,
73,
73,
73,
79,
79,
79,
79,
79,
79,
79,
79
] | 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": 6.848618030548096,
"b": 6.848618030548096,
"c": 6.848618030548096,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GdTaAu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_516138
|
[
"V",
"Sb",
"Au"
] |
[
23,
23,
23,
23,
51,
51,
51,
51,
79,
79,
79,
79,
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,
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": 6.665609836578369,
"b": 6.665609836578369,
"c": 6.665609836578369,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
VSbAu2
|
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.