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_538387
|
[
"Cu",
"Sb",
"W"
] |
[
29,
29,
29,
29,
51,
51,
51,
51,
74,
74,
74,
74,
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,
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": 6.364051818847656,
"b": 6.364051818847656,
"c": 6.364051818847656,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CuSbW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_m-KwTmxCgvsWd6ZW2ENKIjzyHz1Z
|
[
"Ru",
"Yb",
"W"
] |
[
70,
70,
70,
70,
44,
44,
44,
44,
74,
74,
74,
74,
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,
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": 6.381349563598633,
"b": 6.381349563598633,
"c": 6.381349563598633,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YbRuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538416
|
[
"Tm",
"W",
"Pt"
] |
[
69,
69,
69,
69,
78,
78,
78,
78,
74,
74,
74,
74,
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,
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": 6.5140461921691895,
"b": 6.5140461921691895,
"c": 6.5140461921691895,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TmPtW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538432
|
[
"Li",
"Rh",
"W"
] |
[
3,
3,
3,
3,
45,
45,
45,
45,
74,
74,
74,
74,
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,
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": 6.154468059539795,
"b": 6.154468059539795,
"c": 6.154468059539795,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LiRhW2
|
general_inorganic
| true
| 4
| null | null | null | null |
[
"li"
] |
external_cif_tar
|
tar:NOMAD_G5q30WTa3BIbhHlXYv9Nzph_wfpi
|
[
"Pd",
"Tm",
"W"
] |
[
69,
69,
69,
69,
46,
46,
46,
46,
74,
74,
74,
74,
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,
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": 6.525291442871094,
"b": 6.525291442871094,
"c": 6.525291442871094,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TmPdW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538455
|
[
"Rb",
"Ba",
"W"
] |
[
37,
37,
37,
37,
56,
56,
56,
56,
74,
74,
74,
74,
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,
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": 7.971240043640137,
"b": 7.971240043640137,
"c": 7.971240043640137,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
RbBaW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538479
|
[
"Mn",
"Cu",
"W"
] |
[
25,
25,
25,
25,
29,
29,
29,
29,
74,
74,
74,
74,
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,
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": 6.019015789031982,
"b": 6.019015789031982,
"c": 6.019015789031982,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MnCuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538493
|
[
"Mg",
"Ag",
"W"
] |
[
12,
12,
12,
12,
47,
47,
47,
47,
74,
74,
74,
74,
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,
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": 6.418601989746094,
"b": 6.418601989746094,
"c": 6.418601989746094,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgAgW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538505
|
[
"Ni",
"Ge",
"W"
] |
[
28,
28,
28,
28,
32,
32,
32,
32,
74,
74,
74,
74,
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,
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": 6.111979961395264,
"b": 6.111979961395264,
"c": 6.111979961395264,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NiGeW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538521
|
[
"Ag",
"La",
"W"
] |
[
57,
57,
57,
57,
47,
47,
47,
47,
74,
74,
74,
74,
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,
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": 6.698698043823242,
"b": 6.698698043823242,
"c": 6.698698043823242,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaAgW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538537
|
[
"Ru",
"Tm",
"W"
] |
[
69,
69,
69,
69,
44,
44,
44,
44,
74,
74,
74,
74,
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,
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": 6.454092025756836,
"b": 6.454092025756836,
"c": 6.454092025756836,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TmRuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538556
|
[
"Sb",
"W",
"Pb"
] |
[
51,
51,
51,
51,
82,
82,
82,
82,
74,
74,
74,
74,
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,
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": 6.737351894378662,
"b": 6.737351894378662,
"c": 6.737351894378662,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SbPbW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538567
|
[
"W",
"Pt",
"Pu"
] |
[
94,
94,
94,
94,
78,
78,
78,
78,
74,
74,
74,
74,
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,
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": 6.481704235076904,
"b": 6.481704235076904,
"c": 6.481704235076904,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PuPtW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_SlGWygLj7o-qxPKG4ppdB7GF0k1q
|
[
"W",
"Hg",
"Th"
] |
[
90,
90,
90,
90,
80,
80,
80,
80,
74,
74,
74,
74,
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,
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": 6.8562493324279785,
"b": 6.8562493324279785,
"c": 6.8562493324279785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThHgW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538593
|
[
"Na",
"Ni",
"W"
] |
[
11,
11,
11,
11,
28,
28,
28,
28,
74,
74,
74,
74,
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,
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": 6.180508136749268,
"b": 6.180508136749268,
"c": 6.180508136749268,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaNiW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_UQGp_TV6_btdwUpNxHn-sHm7WVqM
|
[
"Be",
"Mo",
"W"
] |
[
4,
4,
4,
4,
42,
42,
42,
42,
74,
74,
74,
74,
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,
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": 6.152791976928711,
"b": 6.152791976928711,
"c": 6.152791976928711,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeMoW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538622
|
[
"Ti",
"W",
"Re"
] |
[
22,
22,
22,
22,
75,
75,
75,
75,
74,
74,
74,
74,
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,
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": 6.280961990356445,
"b": 6.280961990356445,
"c": 6.280961990356445,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TiReW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538640
|
[
"Li",
"Cd",
"W"
] |
[
3,
3,
3,
3,
48,
48,
48,
48,
74,
74,
74,
74,
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,
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": 6.3289899826049805,
"b": 6.3289899826049805,
"c": 6.3289899826049805,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LiCdW2
|
general_inorganic
| true
| 4
| null | null | null | null |
[
"li"
] |
external_cif_tar
|
tar:OQMD_538658
|
[
"V",
"Nd",
"W"
] |
[
60,
60,
60,
60,
23,
23,
23,
23,
74,
74,
74,
74,
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,
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": 6.590256214141846,
"b": 6.590256214141846,
"c": 6.590256214141846,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdVW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538679
|
[
"As",
"W",
"Re"
] |
[
75,
75,
75,
75,
33,
33,
33,
33,
74,
74,
74,
74,
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,
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": 6.3148980140686035,
"b": 6.3148980140686035,
"c": 6.3148980140686035,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ReAsW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_w4u7Arq_MiGQM5cje9S55gHg6Jcm
|
[
"Cs",
"Ta",
"W"
] |
[
55,
55,
55,
55,
73,
73,
73,
73,
74,
74,
74,
74,
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,
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": 6.822801113128662,
"b": 6.822801113128662,
"c": 6.822801113128662,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsTaW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538708
|
[
"V",
"Cr",
"W"
] |
[
23,
23,
23,
23,
24,
24,
24,
24,
74,
74,
74,
74,
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,
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": 6.085480213165283,
"b": 6.085480213165283,
"c": 6.085480213165283,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
VCrW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538738
|
[
"Pm",
"Lu",
"W"
] |
[
61,
61,
61,
61,
71,
71,
71,
71,
74,
74,
74,
74,
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,
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": 6.996717929840088,
"b": 6.996717929840088,
"c": 6.996717929840088,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmLuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538755
|
[
"Na",
"Er",
"W"
] |
[
11,
11,
11,
11,
68,
68,
68,
68,
74,
74,
74,
74,
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,
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": 6.783298015594482,
"b": 6.783298015594482,
"c": 6.783298015594482,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaErW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538775
|
[
"W",
"Tl",
"Np"
] |
[
93,
93,
93,
93,
81,
81,
81,
81,
74,
74,
74,
74,
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,
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": 6.738925933837891,
"b": 6.738925933837891,
"c": 6.738925933837891,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NpTlW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538789
|
[
"V",
"Lu",
"W"
] |
[
71,
71,
71,
71,
23,
23,
23,
23,
74,
74,
74,
74,
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,
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": 6.467545986175537,
"b": 6.467545986175537,
"c": 6.467545986175537,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LuVW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_p0DfxyCxXionuev8FFEajDY67nF0
|
[
"Ti",
"Nd",
"W"
] |
[
60,
60,
60,
60,
22,
22,
22,
22,
74,
74,
74,
74,
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,
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": 6.704021453857422,
"b": 6.704021453857422,
"c": 6.704021453857422,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdTiW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538819
|
[
"Mg",
"Zr",
"W"
] |
[
12,
12,
12,
12,
40,
40,
40,
40,
74,
74,
74,
74,
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,
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": 6.595347881317139,
"b": 6.595347881317139,
"c": 6.595347881317139,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgZrW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538835
|
[
"Zr",
"Cs",
"W"
] |
[
55,
55,
55,
55,
40,
40,
40,
40,
74,
74,
74,
74,
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,
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": 6.964325904846191,
"b": 6.964325904846191,
"c": 6.964325904846191,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsZrW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538852
|
[
"V",
"W",
"Th"
] |
[
90,
90,
90,
90,
23,
23,
23,
23,
74,
74,
74,
74,
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,
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": 6.630161762237549,
"b": 6.630161762237549,
"c": 6.630161762237549,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThVW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538869
|
[
"Be",
"Al",
"W"
] |
[
4,
4,
4,
4,
13,
13,
13,
13,
74,
74,
74,
74,
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,
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": 6.063117980957031,
"b": 6.063117980957031,
"c": 6.063117980957031,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeAlW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538883
|
[
"Be",
"Cd",
"W"
] |
[
4,
4,
4,
4,
48,
48,
48,
48,
74,
74,
74,
74,
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,
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": 6.222879886627197,
"b": 6.222879886627197,
"c": 6.222879886627197,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeCdW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538899
|
[
"Ti",
"W",
"Pt"
] |
[
22,
22,
22,
22,
78,
78,
78,
78,
74,
74,
74,
74,
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,
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": 6.31751823425293,
"b": 6.31751823425293,
"c": 6.31751823425293,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TiPtW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538912
|
[
"Cu",
"Ru",
"W"
] |
[
29,
29,
29,
29,
44,
44,
44,
44,
74,
74,
74,
74,
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,
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": 6.17221212387085,
"b": 6.17221212387085,
"c": 6.17221212387085,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CuRuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538927
|
[
"Sr",
"Sm",
"W"
] |
[
38,
38,
38,
38,
62,
62,
62,
62,
74,
74,
74,
74,
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,
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": 7.257368087768555,
"b": 7.257368087768555,
"c": 7.257368087768555,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrSmW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538946
|
[
"Nd",
"Tb",
"W"
] |
[
65,
65,
65,
65,
60,
60,
60,
60,
74,
74,
74,
74,
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,
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": 7.087672233581543,
"b": 7.087672233581543,
"c": 7.087672233581543,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TbNdW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_ULwpIPmeFESo0Xe4TKrl0j7mnRBS
|
[
"Na",
"W",
"Th"
] |
[
11,
11,
11,
11,
90,
90,
90,
90,
74,
74,
74,
74,
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,
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": 6.848809719085693,
"b": 6.848809719085693,
"c": 6.848809719085693,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaThW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538972
|
[
"V",
"Co",
"W"
] |
[
23,
23,
23,
23,
27,
27,
27,
27,
74,
74,
74,
74,
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,
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": 6.058963775634766,
"b": 6.058963775634766,
"c": 6.058963775634766,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
VCoW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_538987
|
[
"W",
"Ir",
"Th"
] |
[
90,
90,
90,
90,
77,
77,
77,
77,
74,
74,
74,
74,
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,
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": 6.65829610824585,
"b": 6.65829610824585,
"c": 6.65829610824585,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThIrW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539008
|
[
"Te",
"W",
"Bi"
] |
[
83,
83,
83,
83,
52,
52,
52,
52,
74,
74,
74,
74,
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,
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": 6.769899845123291,
"b": 6.769899845123291,
"c": 6.769899845123291,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BiTeW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539021
|
[
"Ru",
"Cd",
"W"
] |
[
48,
48,
48,
48,
44,
44,
44,
44,
74,
74,
74,
74,
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,
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": 6.390645980834961,
"b": 6.390645980834961,
"c": 6.390645980834961,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CdRuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539034
|
[
"Tc",
"Pm",
"W"
] |
[
61,
61,
61,
61,
43,
43,
43,
43,
74,
74,
74,
74,
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,
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": 6.578864097595215,
"b": 6.578864097595215,
"c": 6.578864097595215,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmTcW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539061
|
[
"In",
"W",
"Pt"
] |
[
49,
49,
49,
49,
78,
78,
78,
78,
74,
74,
74,
74,
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,
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": 6.4643120765686035,
"b": 6.4643120765686035,
"c": 6.4643120765686035,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
InPtW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539075
|
[
"Sc",
"Ru",
"W"
] |
[
21,
21,
21,
21,
44,
44,
44,
44,
74,
74,
74,
74,
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,
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": 6.324900150299072,
"b": 6.324900150299072,
"c": 6.324900150299072,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ScRuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539095
|
[
"Be",
"Tc",
"W"
] |
[
4,
4,
4,
4,
43,
43,
43,
43,
74,
74,
74,
74,
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,
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": 6.105132102966309,
"b": 6.105132102966309,
"c": 6.105132102966309,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeTcW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539110
|
[
"Si",
"Nd",
"W"
] |
[
60,
60,
60,
60,
14,
14,
14,
14,
74,
74,
74,
74,
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,
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": 6.548935890197754,
"b": 6.548935890197754,
"c": 6.548935890197754,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdSiW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_vREMaUcNCjy1vTziYxLEymVHytS_
|
[
"Co",
"Pm",
"W"
] |
[
61,
61,
61,
61,
27,
27,
27,
27,
74,
74,
74,
74,
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,
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": 6.434545516967773,
"b": 6.434545516967773,
"c": 6.434545516967773,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmCoW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539139
|
[
"Y",
"Cd",
"W"
] |
[
39,
39,
39,
39,
48,
48,
48,
48,
74,
74,
74,
74,
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,
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": 6.744294166564941,
"b": 6.744294166564941,
"c": 6.744294166564941,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YCdW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539150
|
[
"Ta",
"W",
"Hg"
] |
[
73,
73,
73,
73,
80,
80,
80,
80,
74,
74,
74,
74,
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,
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": 6.537682056427002,
"b": 6.537682056427002,
"c": 6.537682056427002,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TaHgW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_obmWelf5jt5cAP5pokAHhxHKEetw
|
[
"Sc",
"Lu",
"W"
] |
[
71,
71,
71,
71,
21,
21,
21,
21,
74,
74,
74,
74,
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,
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": 6.7315874099731445,
"b": 6.7315874099731445,
"c": 6.7315874099731445,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LuScW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539180
|
[
"Ti",
"Sn",
"W"
] |
[
22,
22,
22,
22,
50,
50,
50,
50,
74,
74,
74,
74,
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,
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": 6.497447967529297,
"b": 6.497447967529297,
"c": 6.497447967529297,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TiSnW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539195
|
[
"Ru",
"W",
"Ir"
] |
[
77,
77,
77,
77,
44,
44,
44,
44,
74,
74,
74,
74,
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,
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": 6.2628679275512695,
"b": 6.2628679275512695,
"c": 6.2628679275512695,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
IrRuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_5z9-J4dqhDPDAhoH1g0NrY9rrTKW
|
[
"Y",
"W",
"Th"
] |
[
39,
39,
39,
39,
90,
90,
90,
90,
74,
74,
74,
74,
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,
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": 7.088325023651123,
"b": 7.088325023651123,
"c": 7.088325023651123,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YThW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539220
|
[
"Mo",
"Ta",
"W"
] |
[
73,
73,
73,
73,
42,
42,
42,
42,
74,
74,
74,
74,
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,
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": 6.400790214538574,
"b": 6.400790214538574,
"c": 6.400790214538574,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TaMoW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539235
|
[
"Ru",
"W",
"Tl"
] |
[
81,
81,
81,
81,
44,
44,
44,
44,
74,
74,
74,
74,
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,
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": 6.469287872314453,
"b": 6.469287872314453,
"c": 6.469287872314453,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TlRuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539249
|
[
"Be",
"Ag",
"W"
] |
[
4,
4,
4,
4,
47,
47,
47,
47,
74,
74,
74,
74,
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,
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": 6.149898052215576,
"b": 6.149898052215576,
"c": 6.149898052215576,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeAgW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539267
|
[
"Cs",
"W",
"Th"
] |
[
55,
55,
55,
55,
90,
90,
90,
90,
74,
74,
74,
74,
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,
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": 7.378506183624268,
"b": 7.378506183624268,
"c": 7.378506183624268,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsThW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539283
|
[
"Be",
"Cu",
"W"
] |
[
4,
4,
4,
4,
29,
29,
29,
29,
74,
74,
74,
74,
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,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 5.925471782684326,
"b": 5.925471782684326,
"c": 5.925471782684326,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeCuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539303
|
[
"Sm",
"W",
"Os"
] |
[
62,
62,
62,
62,
76,
76,
76,
76,
74,
74,
74,
74,
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,
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": 6.535240173339844,
"b": 6.535240173339844,
"c": 6.535240173339844,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SmOsW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_R7OWgcwKmeJVpZCU24sNIdLtt82C
|
[
"La",
"W",
"U"
] |
[
57,
57,
57,
57,
92,
92,
92,
92,
74,
74,
74,
74,
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,
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": 7.001543045043945,
"b": 7.001543045043945,
"c": 7.001543045043945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaUW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539333
|
[
"B",
"Pd",
"W"
] |
[
5,
5,
5,
5,
46,
46,
46,
46,
74,
74,
74,
74,
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,
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": 6.026753902435303,
"b": 6.026753902435303,
"c": 6.026753902435303,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BPdW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539348
|
[
"Ba",
"Nd",
"W"
] |
[
56,
56,
56,
56,
60,
60,
60,
60,
74,
74,
74,
74,
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,
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": 7.384181976318359,
"b": 7.384181976318359,
"c": 7.384181976318359,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BaNdW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_DmSuRJOMYHC_iei6Ok_lwrbym1wO
|
[
"Ca",
"Eu",
"W"
] |
[
20,
20,
20,
20,
63,
63,
63,
63,
74,
74,
74,
74,
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,
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": 7.023787498474121,
"b": 7.023787498474121,
"c": 7.023787498474121,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CaEuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539379
|
[
"Be",
"Sb",
"W"
] |
[
4,
4,
4,
4,
51,
51,
51,
51,
74,
74,
74,
74,
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,
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": 6.306719779968262,
"b": 6.306719779968262,
"c": 6.306719779968262,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeSbW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539394
|
[
"Rb",
"Ce",
"W"
] |
[
37,
37,
37,
37,
58,
58,
58,
58,
74,
74,
74,
74,
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,
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": 7.436034202575684,
"b": 7.436034202575684,
"c": 7.436034202575684,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
RbCeW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539408
|
[
"Tb",
"W",
"Th"
] |
[
65,
65,
65,
65,
90,
90,
90,
90,
74,
74,
74,
74,
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,
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": 7.091246128082275,
"b": 7.091246128082275,
"c": 7.091246128082275,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TbThW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539417
|
[
"W",
"Os",
"Hg"
] |
[
80,
80,
80,
80,
76,
76,
76,
76,
74,
74,
74,
74,
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,
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": 6.423520088195801,
"b": 6.423520088195801,
"c": 6.423520088195801,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HgOsW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539430
|
[
"Ni",
"W",
"Tl"
] |
[
81,
81,
81,
81,
28,
28,
28,
28,
74,
74,
74,
74,
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,
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": 6.367782115936279,
"b": 6.367782115936279,
"c": 6.367782115936279,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TlNiW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539446
|
[
"Mo",
"W",
"Hg"
] |
[
80,
80,
80,
80,
42,
42,
42,
42,
74,
74,
74,
74,
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,
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": 6.469893932342529,
"b": 6.469893932342529,
"c": 6.469893932342529,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HgMoW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_l5WxM7neCkQ1-LJyVTKdAIrIaIW5
|
[
"Si",
"Gd",
"W"
] |
[
64,
64,
64,
64,
14,
14,
14,
14,
74,
74,
74,
74,
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,
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": 6.485991477966309,
"b": 6.485991477966309,
"c": 6.485991477966309,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GdSiW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539481
|
[
"Cu",
"W",
"Au"
] |
[
29,
29,
29,
29,
74,
74,
74,
74,
74,
74,
74,
74,
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": 6.28837776184082,
"b": 6.28837776184082,
"c": 6.28837776184082,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CuW2Au
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_etF5xa-VeOmuorqPOtZxsscuj3oa
|
[
"Sn",
"Nd",
"W"
] |
[
60,
60,
60,
60,
50,
50,
50,
50,
74,
74,
74,
74,
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,
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": 6.830053329467773,
"b": 6.830053329467773,
"c": 6.830053329467773,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdSnW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539510
|
[
"Fe",
"W",
"Ac"
] |
[
89,
89,
89,
89,
26,
26,
26,
26,
74,
74,
74,
74,
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,
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": 6.618750095367432,
"b": 6.618750095367432,
"c": 6.618750095367432,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AcFeW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539526
|
[
"Na",
"Zr",
"W"
] |
[
11,
11,
11,
11,
40,
40,
40,
40,
74,
74,
74,
74,
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,
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": 6.663651943206787,
"b": 6.663651943206787,
"c": 6.663651943206787,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaZrW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539540
|
[
"Ni",
"Ag",
"W"
] |
[
28,
28,
28,
28,
47,
47,
47,
47,
74,
74,
74,
74,
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,
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": 6.222449779510498,
"b": 6.222449779510498,
"c": 6.222449779510498,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NiAgW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539554
|
[
"Sc",
"Pm",
"W"
] |
[
61,
61,
61,
61,
21,
21,
21,
21,
74,
74,
74,
74,
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,
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": 6.840015888214111,
"b": 6.840015888214111,
"c": 6.840015888214111,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmScW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539568
|
[
"Cu",
"Sn",
"W"
] |
[
29,
29,
29,
29,
50,
50,
50,
50,
74,
74,
74,
74,
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,
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": 6.363708019256592,
"b": 6.363708019256592,
"c": 6.363708019256592,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CuSnW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539584
|
[
"Lu",
"W",
"Pa"
] |
[
71,
71,
71,
71,
91,
91,
91,
91,
74,
74,
74,
74,
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,
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": 6.8845038414001465,
"b": 6.8845038414001465,
"c": 6.8845038414001465,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LuPaW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539600
|
[
"Zn",
"Eu",
"W"
] |
[
63,
63,
63,
63,
30,
30,
30,
30,
74,
74,
74,
74,
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,
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": 6.465303897857666,
"b": 6.465303897857666,
"c": 6.465303897857666,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
EuZnW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539618
|
[
"Eu",
"W",
"Pt"
] |
[
63,
63,
63,
63,
78,
78,
78,
78,
74,
74,
74,
74,
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,
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": 6.471211910247803,
"b": 6.471211910247803,
"c": 6.471211910247803,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
EuPtW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539636
|
[
"Li",
"Tm",
"W"
] |
[
3,
3,
3,
3,
69,
69,
69,
69,
74,
74,
74,
74,
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,
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": 6.515979766845703,
"b": 6.515979766845703,
"c": 6.515979766845703,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LiTmW2
|
general_inorganic
| true
| 4
| null | null | null | null |
[
"li"
] |
external_cif_tar
|
tar:NOMAD_D4N_A8fzRchb5ZZ7aiukajS_AT9_
|
[
"Ba",
"Eu",
"W"
] |
[
56,
56,
56,
56,
63,
63,
63,
63,
74,
74,
74,
74,
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,
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": 7.355397701263428,
"b": 7.355397701263428,
"c": 7.355397701263428,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BaEuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_EbFsCeKWn21tvdBZbTE6B6dImnHB
|
[
"Sn",
"Te",
"W"
] |
[
50,
50,
50,
50,
52,
52,
52,
52,
74,
74,
74,
74,
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,
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": 6.659621238708496,
"b": 6.659621238708496,
"c": 6.659621238708496,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SnTeW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_5h_ZCVN8WaMjwTd-NaNUW1iYoEnq
|
[
"Ca",
"Cs",
"W"
] |
[
55,
55,
55,
55,
20,
20,
20,
20,
74,
74,
74,
74,
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,
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": 7.449599266052246,
"b": 7.449599266052246,
"c": 7.449599266052246,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsCaW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539695
|
[
"V",
"Zn",
"W"
] |
[
23,
23,
23,
23,
30,
30,
30,
30,
74,
74,
74,
74,
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,
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": 6.184336185455322,
"b": 6.184336185455322,
"c": 6.184336185455322,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
VZnW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539707
|
[
"Ti",
"W",
"Os"
] |
[
22,
22,
22,
22,
76,
76,
76,
76,
74,
74,
74,
74,
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,
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": 6.26556396484375,
"b": 6.26556396484375,
"c": 6.26556396484375,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TiOsW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539737
|
[
"Rh",
"Cs",
"W"
] |
[
55,
55,
55,
55,
45,
45,
45,
45,
74,
74,
74,
74,
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,
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": 6.603524208068848,
"b": 6.603524208068848,
"c": 6.603524208068848,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsRhW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539749
|
[
"Mg",
"W",
"Bi"
] |
[
12,
12,
12,
12,
83,
83,
83,
83,
74,
74,
74,
74,
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,
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": 6.671678066253662,
"b": 6.671678066253662,
"c": 6.671678066253662,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgBiW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539764
|
[
"Be",
"La",
"W"
] |
[
57,
57,
57,
57,
4,
4,
4,
4,
74,
74,
74,
74,
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,
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": 6.443860054016113,
"b": 6.443860054016113,
"c": 6.443860054016113,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaBeW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539795
|
[
"Zr",
"W",
"Tl"
] |
[
40,
40,
40,
40,
81,
81,
81,
81,
74,
74,
74,
74,
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,
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": 6.691981792449951,
"b": 6.691981792449951,
"c": 6.691981792449951,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ZrTlW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539809
|
[
"Cr",
"W",
"Os"
] |
[
24,
24,
24,
24,
76,
76,
76,
76,
74,
74,
74,
74,
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,
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": 6.153905868530273,
"b": 6.153905868530273,
"c": 6.153905868530273,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CrOsW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539822
|
[
"K",
"Sm",
"W"
] |
[
19,
19,
19,
19,
62,
62,
62,
62,
74,
74,
74,
74,
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,
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": 7.235665798187256,
"b": 7.235665798187256,
"c": 7.235665798187256,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KSmW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539835
|
[
"Y",
"Lu",
"W"
] |
[
39,
39,
39,
39,
71,
71,
71,
71,
74,
74,
74,
74,
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,
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": 6.938943862915039,
"b": 6.938943862915039,
"c": 6.938943862915039,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YLuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539848
|
[
"Nb",
"W",
"Np"
] |
[
93,
93,
93,
93,
41,
41,
41,
41,
74,
74,
74,
74,
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,
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": 6.587401866912842,
"b": 6.587401866912842,
"c": 6.587401866912842,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NpNbW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_fgipBhDLgd_X7Fq4ThSZCMEI6kU1
|
[
"Co",
"Gd",
"W"
] |
[
64,
64,
64,
64,
27,
27,
27,
27,
74,
74,
74,
74,
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,
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": 6.406857013702393,
"b": 6.406857013702393,
"c": 6.406857013702393,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GdCoW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539878
|
[
"Sb",
"W",
"Hg"
] |
[
80,
80,
80,
80,
51,
51,
51,
51,
74,
74,
74,
74,
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,
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": 6.615255832672119,
"b": 6.615255832672119,
"c": 6.615255832672119,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HgSbW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_MUhpiwVK8KTz6rsgxdKDUOT4ugFv
|
[
"W",
"Ac",
"Pu"
] |
[
89,
89,
89,
89,
94,
94,
94,
94,
74,
74,
74,
74,
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,
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": 7.052353858947754,
"b": 7.052353858947754,
"c": 7.052353858947754,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AcPuW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539908
|
[
"Er",
"W",
"Re"
] |
[
68,
68,
68,
68,
75,
75,
75,
75,
74,
74,
74,
74,
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,
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": 6.506549835205078,
"b": 6.506549835205078,
"c": 6.506549835205078,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ErReW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_RF-4cnDTbUJLcgjXeOTgzMV2ejvu
|
[
"W",
"Bi",
"Pu"
] |
[
94,
94,
94,
94,
83,
83,
83,
83,
74,
74,
74,
74,
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,
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": 6.786818027496338,
"b": 6.786818027496338,
"c": 6.786818027496338,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PuBiW2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_539942
|
[
"V",
"La",
"W"
] |
[
57,
57,
57,
57,
23,
23,
23,
23,
74,
74,
74,
74,
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,
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": 6.587347984313965,
"b": 6.587347984313965,
"c": 6.587347984313965,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaVW2
|
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.