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_529154
|
[
"Mn",
"Ni",
"Ir"
] |
[
25,
25,
25,
25,
28,
28,
28,
28,
28,
28,
28,
28,
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": 5.702668190002441,
"b": 5.702668190002441,
"c": 5.702668190002441,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MnNi2Ir
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529190
|
[
"Ni",
"Nd",
"Hf"
] |
[
60,
60,
60,
60,
72,
72,
72,
72,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.61873197555542,
"b": 6.61873197555542,
"c": 6.61873197555542,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdHfNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_liRmQ4cFD4AJR0jsJY0FDQi4W75v
|
[
"Ca",
"Ni",
"Pa"
] |
[
20,
20,
20,
20,
91,
91,
91,
91,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.704413414001465,
"b": 6.704413414001465,
"c": 6.704413414001465,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CaPaNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529218
|
[
"V",
"Ni",
"Tm"
] |
[
69,
69,
69,
69,
23,
23,
23,
23,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.230319976806641,
"b": 6.230319976806641,
"c": 6.230319976806641,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TmVNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_aUGCdNdo4lzXblAn5t_gSBu9wVEg
|
[
"Ni",
"Ag",
"Dy"
] |
[
66,
66,
66,
66,
28,
28,
28,
28,
28,
28,
28,
28,
47,
47,
47,
47
] | 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": 6.351283073425293,
"b": 6.351283073425293,
"c": 6.351283073425293,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyNi2Ag
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_MX76LT5ypNhOsGbK7QHsD3F4FS3e
|
[
"Cr",
"Ni",
"Sm"
] |
[
62,
62,
62,
62,
24,
24,
24,
24,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.360195159912109,
"b": 6.360195159912109,
"c": 6.360195159912109,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SmCrNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529263
|
[
"Ni",
"Cu",
"Au"
] |
[
29,
29,
29,
29,
28,
28,
28,
28,
28,
28,
28,
28,
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": 5.8562822341918945,
"b": 5.8562822341918945,
"c": 5.8562822341918945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CuNi2Au
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529278
|
[
"Ni",
"Sn",
"Nd"
] |
[
60,
60,
60,
60,
28,
28,
28,
28,
28,
28,
28,
28,
50,
50,
50,
50
] | 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": 6.611412048339844,
"b": 6.611412048339844,
"c": 6.611412048339844,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdNi2Sn
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529295
|
[
"Ni",
"Gd",
"Tb"
] |
[
65,
65,
65,
65,
64,
64,
64,
64,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.739346027374268,
"b": 6.739346027374268,
"c": 6.739346027374268,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TbGdNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_Cm0sqp4oLNQxPTlYVtD777eRV2V2
|
[
"Cr",
"Ni",
"Th"
] |
[
90,
90,
90,
90,
24,
24,
24,
24,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.369265079498291,
"b": 6.369265079498291,
"c": 6.369265079498291,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThCrNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529325
|
[
"Si",
"Ni",
"Mo"
] |
[
14,
14,
14,
14,
28,
28,
28,
28,
28,
28,
28,
28,
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": 5.8135881423950195,
"b": 5.8135881423950195,
"c": 5.8135881423950195,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SiNi2Mo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529342
|
[
"Ni",
"Er",
"Ta"
] |
[
68,
68,
68,
68,
73,
73,
73,
73,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.363039970397949,
"b": 6.363039970397949,
"c": 6.363039970397949,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ErTaNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_rw0E95MfazHr2uUpGxMjUa9nkzRk
|
[
"Ni",
"Pm",
"Gd"
] |
[
61,
61,
61,
61,
64,
64,
64,
64,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.831419467926025,
"b": 6.831419467926025,
"c": 6.831419467926025,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmGdNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529370
|
[
"Si",
"Ca",
"Ni"
] |
[
20,
20,
20,
20,
14,
14,
14,
14,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.114739894866943,
"b": 6.114739894866943,
"c": 6.114739894866943,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CaSiNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529382
|
[
"Mg",
"Co",
"Ni"
] |
[
12,
12,
12,
12,
27,
27,
27,
27,
28,
28,
28,
28,
28,
28,
28,
28
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] |
{
"a": 5.750723838806152,
"b": 5.750723838806152,
"c": 5.750723838806152,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgCoNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529396
|
[
"Ni",
"Cs",
"Hg"
] |
[
55,
55,
55,
55,
28,
28,
28,
28,
28,
28,
28,
28,
80,
80,
80,
80
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
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": 6.968987941741943,
"b": 6.968987941741943,
"c": 6.968987941741943,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsNi2Hg
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529409
|
[
"Ni",
"Os",
"Pt"
] |
[
28,
28,
28,
28,
28,
28,
28,
28,
76,
76,
76,
76,
78,
78,
78,
78
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.874986171722412,
"b": 5.874986171722412,
"c": 5.874986171722412,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ni2OsPt
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529424
|
[
"Ni",
"Ta",
"Ir"
] |
[
73,
73,
73,
73,
28,
28,
28,
28,
28,
28,
28,
28,
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": 5.963324069976807,
"b": 5.963324069976807,
"c": 5.963324069976807,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TaNi2Ir
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529443
|
[
"Cr",
"Ni",
"Tc"
] |
[
24,
24,
24,
24,
43,
43,
43,
43,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 5.758294105529785,
"b": 5.758294105529785,
"c": 5.758294105529785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CrTcNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_1tIoxVzTKwICQf4FGiYfAc0nqOFO
|
[
"Ni",
"Sr",
"Th"
] |
[
38,
38,
38,
38,
90,
90,
90,
90,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.9784836769104,
"b": 6.9784836769104,
"c": 6.9784836769104,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrThNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_t0ZNSIl5vjfl8aSYbD9_KShUTsEH
|
[
"Ni",
"Nb",
"Ho"
] |
[
67,
67,
67,
67,
41,
41,
41,
41,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.392823219299316,
"b": 6.392823219299316,
"c": 6.392823219299316,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HoNbNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529483
|
[
"Ni",
"In",
"Os"
] |
[
49,
49,
49,
49,
28,
28,
28,
28,
28,
28,
28,
28,
76,
76,
76,
76
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.048178195953369,
"b": 6.048178195953369,
"c": 6.048178195953369,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
InNi2Os
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_Bmtssr8Hj2f1OVlZDZJ1rqdcgBtj
|
[
"Ni",
"Cs",
"Tb"
] |
[
55,
55,
55,
55,
65,
65,
65,
65,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 7.127532005310059,
"b": 7.127532005310059,
"c": 7.127532005310059,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsTbNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_3NYuvjKWxnVTk_YiET6T2hrP__wD
|
[
"Ni",
"Rh",
"Pm"
] |
[
61,
61,
61,
61,
28,
28,
28,
28,
28,
28,
28,
28,
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": 6.307547569274902,
"b": 6.307547569274902,
"c": 6.307547569274902,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmNi2Rh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529531
|
[
"Fe",
"Ni",
"In"
] |
[
49,
49,
49,
49,
26,
26,
26,
26,
28,
28,
28,
28,
28,
28,
28,
28
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] |
{
"a": 5.938521862030029,
"b": 5.938521862030029,
"c": 5.938521862030029,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
InFeNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_SfdRahDGeTNyR0BEwnFfIA7dGOjL
|
[
"Ni",
"Mo",
"Cs"
] |
[
55,
55,
55,
55,
28,
28,
28,
28,
28,
28,
28,
28,
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": 6.601873397827148,
"b": 6.601873397827148,
"c": 6.601873397827148,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsNi2Mo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529574
|
[
"Ca",
"Ni",
"Ir"
] |
[
20,
20,
20,
20,
28,
28,
28,
28,
28,
28,
28,
28,
77,
77,
77,
77
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.205729961395264,
"b": 6.205729961395264,
"c": 6.205729961395264,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CaNi2Ir
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529590
|
[
"Ni",
"Te",
"Hg"
] |
[
28,
28,
28,
28,
28,
28,
28,
28,
80,
80,
80,
80,
52,
52,
52,
52
] | 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": 6.413064002990723,
"b": 6.413064002990723,
"c": 6.413064002990723,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ni2HgTe
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_Cz-R5iy6_fnmEcS-u7SHUtnKi8XI
|
[
"Ni",
"Rb",
"Tl"
] |
[
37,
37,
37,
37,
81,
81,
81,
81,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.962405204772949,
"b": 6.962405204772949,
"c": 6.962405204772949,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
RbTlNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_I9K_FbW5qXz91VTHWg7G4y1OO1rE
|
[
"Ni",
"Ge",
"Ce"
] |
[
58,
58,
58,
58,
28,
28,
28,
28,
28,
28,
28,
28,
32,
32,
32,
32
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.512823104858398,
"b": 6.512823104858398,
"c": 6.512823104858398,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CeNi2Ge
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_voxU4qqdl36uHutvO7i-9Lrz4546
|
[
"V",
"Ni",
"Ce"
] |
[
58,
58,
58,
58,
23,
23,
23,
23,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.484133720397949,
"b": 6.484133720397949,
"c": 6.484133720397949,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CeVNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_FNwzgDn_cB70SOMw3V3BkMLHblse
|
[
"K",
"Ni",
"As"
] |
[
19,
19,
19,
19,
28,
28,
28,
28,
28,
28,
28,
28,
33,
33,
33,
33
] | 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": 6.369170665740967,
"b": 6.369170665740967,
"c": 6.369170665740967,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KNi2As
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529709
|
[
"Ni",
"Ga",
"Te"
] |
[
31,
31,
31,
31,
28,
28,
28,
28,
28,
28,
28,
28,
52,
52,
52,
52
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.2535080909729,
"b": 6.2535080909729,
"c": 6.2535080909729,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GaNi2Te
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529731
|
[
"Si",
"Ni",
"Pr"
] |
[
59,
59,
59,
59,
14,
14,
14,
14,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.363644123077393,
"b": 6.363644123077393,
"c": 6.363644123077393,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PrSiNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529743
|
[
"Mg",
"Ni",
"Np"
] |
[
12,
12,
12,
12,
93,
93,
93,
93,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.298900127410889,
"b": 6.298900127410889,
"c": 6.298900127410889,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgNpNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529761
|
[
"Ni",
"Pd",
"Os"
] |
[
28,
28,
28,
28,
28,
28,
28,
28,
76,
76,
76,
76,
46,
46,
46,
46
] | 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": 5.852491855621338,
"b": 5.852491855621338,
"c": 5.852491855621338,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ni2OsPd
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529775
|
[
"Be",
"Ni",
"Pa"
] |
[
91,
91,
91,
91,
4,
4,
4,
4,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.15513801574707,
"b": 6.15513801574707,
"c": 6.15513801574707,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PaBeNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529788
|
[
"Be",
"Ni",
"In"
] |
[
4,
4,
4,
4,
49,
49,
49,
49,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 5.836334228515625,
"b": 5.836334228515625,
"c": 5.836334228515625,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeInNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_bCHSwFmZV_nZraVruFXd8URoH_O6
|
[
"Ni",
"Tb",
"U"
] |
[
65,
65,
65,
65,
92,
92,
92,
92,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.594913005828857,
"b": 6.594913005828857,
"c": 6.594913005828857,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TbUNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529820
|
[
"Ni",
"Cu",
"Tm"
] |
[
69,
69,
69,
69,
29,
29,
29,
29,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.088891983032227,
"b": 6.088891983032227,
"c": 6.088891983032227,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TmCuNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529838
|
[
"Ni",
"Cd",
"Pm"
] |
[
61,
61,
61,
61,
48,
48,
48,
48,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.529523849487305,
"b": 6.529523849487305,
"c": 6.529523849487305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmCdNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529853
|
[
"Ni",
"Ba",
"Er"
] |
[
56,
56,
56,
56,
68,
68,
68,
68,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 7.08689022064209,
"b": 7.08689022064209,
"c": 7.08689022064209,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BaErNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_aBpVBjddZnYUvsctxQlriRApao3I
|
[
"Ni",
"Tb",
"Yb"
] |
[
65,
65,
65,
65,
70,
70,
70,
70,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.676961421966553,
"b": 6.676961421966553,
"c": 6.676961421966553,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TbYbNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_-8Tv_zNbat6DUaggNTm2a9wfgHc3
|
[
"Na",
"Ni",
"Pa"
] |
[
11,
11,
11,
11,
91,
91,
91,
91,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.501149654388428,
"b": 6.501149654388428,
"c": 6.501149654388428,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaPaNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_sV2z_4qauHPkQk7FYjl_7mpvFCYD
|
[
"Ni",
"As",
"Dy"
] |
[
66,
66,
66,
66,
28,
28,
28,
28,
28,
28,
28,
28,
33,
33,
33,
33
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.261009693145752,
"b": 6.261009693145752,
"c": 6.261009693145752,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyNi2As
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529913
|
[
"Ni",
"Pr",
"Ho"
] |
[
59,
59,
59,
59,
67,
67,
67,
67,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.826208114624023,
"b": 6.826208114624023,
"c": 6.826208114624023,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PrHoNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529929
|
[
"Sc",
"Ni",
"Sr"
] |
[
38,
38,
38,
38,
21,
21,
21,
21,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.713918209075928,
"b": 6.713918209075928,
"c": 6.713918209075928,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrScNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529946
|
[
"Ni",
"Sm",
"Ir"
] |
[
62,
62,
62,
62,
28,
28,
28,
28,
28,
28,
28,
28,
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": 6.308884143829346,
"b": 6.308884143829346,
"c": 6.308884143829346,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SmNi2Ir
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529960
|
[
"Ni",
"Zn",
"Ac"
] |
[
89,
89,
89,
89,
30,
30,
30,
30,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.639420032501221,
"b": 6.639420032501221,
"c": 6.639420032501221,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AcZnNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529975
|
[
"Ni",
"Sb",
"Ho"
] |
[
67,
67,
67,
67,
28,
28,
28,
28,
28,
28,
28,
28,
51,
51,
51,
51
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.420263767242432,
"b": 6.420263767242432,
"c": 6.420263767242432,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HoNi2Sb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_529988
|
[
"B",
"Ni",
"Au"
] |
[
28,
28,
28,
28,
28,
28,
28,
28,
5,
5,
5,
5,
79,
79,
79,
79
] | 16
| 3
|
[
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 5.734695911407471,
"b": 5.734695911407471,
"c": 5.734695911407471,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ni2BAu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530001
|
[
"Ni",
"Os",
"Pb"
] |
[
28,
28,
28,
28,
28,
28,
28,
28,
76,
76,
76,
76,
82,
82,
82,
82
] | 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": 6.147012233734131,
"b": 6.147012233734131,
"c": 6.147012233734131,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ni2OsPb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_oU_s_Un-H_fNCAEfmQOiz_9cjl1O
|
[
"Fe",
"Ni",
"Pu"
] |
[
94,
94,
94,
94,
26,
26,
26,
26,
28,
28,
28,
28,
28,
28,
28,
28
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] |
{
"a": 5.950509548187256,
"b": 5.950509548187256,
"c": 5.950509548187256,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PuFeNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530034
|
[
"V",
"Ni",
"Ir"
] |
[
23,
23,
23,
23,
28,
28,
28,
28,
28,
28,
28,
28,
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": 5.7998199462890625,
"b": 5.7998199462890625,
"c": 5.7998199462890625,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
VNi2Ir
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_8h05S5zBvJtUP1f8qkMKtDGL_e28
|
[
"K",
"Ni",
"Os"
] |
[
19,
19,
19,
19,
28,
28,
28,
28,
28,
28,
28,
28,
76,
76,
76,
76
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.313437461853027,
"b": 6.313437461853027,
"c": 6.313437461853027,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KNi2Os
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530064
|
[
"Ni",
"Nb",
"Ta"
] |
[
73,
73,
73,
73,
41,
41,
41,
41,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.128109931945801,
"b": 6.128109931945801,
"c": 6.128109931945801,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TaNbNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_Fu7dEJ-Ydy_F4IhN2AVjnP8rEJFe
|
[
"Al",
"Ni",
"Gd"
] |
[
64,
64,
64,
64,
13,
13,
13,
13,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.304471492767334,
"b": 6.304471492767334,
"c": 6.304471492767334,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GdAlNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530103
|
[
"Ni",
"Lu",
"Pb"
] |
[
71,
71,
71,
71,
28,
28,
28,
28,
28,
28,
28,
28,
82,
82,
82,
82
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.4711480140686035,
"b": 6.4711480140686035,
"c": 6.4711480140686035,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LuNi2Pb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_1JrPWiJSl1tQ1AJHM0Gyehpn6j0n
|
[
"Ni",
"Ga",
"As"
] |
[
31,
31,
31,
31,
28,
28,
28,
28,
28,
28,
28,
28,
33,
33,
33,
33
] | 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": 5.940511226654053,
"b": 5.940511226654053,
"c": 5.940511226654053,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GaNi2As
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_PH28momBnTdoXoOe8Mhl2t0NSw-4
|
[
"Ni",
"Sr",
"Gd"
] |
[
38,
38,
38,
38,
64,
64,
64,
64,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.954313278198242,
"b": 6.954313278198242,
"c": 6.954313278198242,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrGdNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530150
|
[
"Ni",
"Dy",
"Ho"
] |
[
66,
66,
66,
66,
67,
67,
67,
67,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.6640238761901855,
"b": 6.6640238761901855,
"c": 6.6640238761901855,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyHoNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530164
|
[
"Ni",
"Te",
"Hf"
] |
[
72,
72,
72,
72,
28,
28,
28,
28,
28,
28,
28,
28,
52,
52,
52,
52
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.343095779418945,
"b": 6.343095779418945,
"c": 6.343095779418945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HfNi2Te
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_4ahUX8ks1EgRgPriT98V360CGadf
|
[
"Ni",
"Mo",
"Ac"
] |
[
89,
89,
89,
89,
28,
28,
28,
28,
28,
28,
28,
28,
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": 6.635837554931641,
"b": 6.635837554931641,
"c": 6.635837554931641,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AcNi2Mo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530214
|
[
"Mg",
"Ni",
"Hf"
] |
[
72,
72,
72,
72,
12,
12,
12,
12,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.170740127563477,
"b": 6.170740127563477,
"c": 6.170740127563477,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HfMgNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_bJ1qycv2z8AJtx32MrAvLzKz10YH
|
[
"Ni",
"Nb",
"Nd"
] |
[
60,
60,
60,
60,
41,
41,
41,
41,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 6.5105438232421875,
"b": 6.5105438232421875,
"c": 6.5105438232421875,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdNbNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_OYFagqdV6p4RkVIhTxLALgDkYCYa
|
[
"Ni",
"Ge",
"Zr"
] |
[
40,
40,
40,
40,
28,
28,
28,
28,
28,
28,
28,
28,
32,
32,
32,
32
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.104436874389648,
"b": 6.104436874389648,
"c": 6.104436874389648,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ZrNi2Ge
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_rkd43SjD6nikhtSqZ-MZk1BxP9nY
|
[
"Ni",
"Te",
"Th"
] |
[
90,
90,
90,
90,
28,
28,
28,
28,
28,
28,
28,
28,
52,
52,
52,
52
] | 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": 6.696939468383789,
"b": 6.696939468383789,
"c": 6.696939468383789,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThNi2Te
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530285
|
[
"Ni",
"W",
"Th"
] |
[
90,
90,
90,
90,
28,
28,
28,
28,
28,
28,
28,
28,
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": 6.470623970031738,
"b": 6.470623970031738,
"c": 6.470623970031738,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThNi2W
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530298
|
[
"Ni",
"Cu",
"Re"
] |
[
29,
29,
29,
29,
75,
75,
75,
75,
28,
28,
28,
28,
28,
28,
28,
28
] | 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": 5.723229885101318,
"b": 5.723229885101318,
"c": 5.723229885101318,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CuReNi2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_-tCdbjWTLnDn4YgaV9MTdEBMLxQD
|
[
"B",
"Ni",
"U"
] |
[
92,
92,
92,
92,
28,
28,
28,
28,
28,
28,
28,
28,
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": 5.993220806121826,
"b": 5.993220806121826,
"c": 5.993220806121826,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
UNi2B
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530323
|
[
"Si",
"Ni",
"Rh"
] |
[
14,
14,
14,
14,
28,
28,
28,
28,
28,
28,
28,
28,
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": 5.74744176864624,
"b": 5.74744176864624,
"c": 5.74744176864624,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SiNi2Rh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530339
|
[
"Sr",
"Ta",
"Pb"
] |
[
38,
38,
38,
38,
73,
73,
73,
73,
73,
73,
73,
73,
82,
82,
82,
82
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 7.119356155395508,
"b": 7.119356155395508,
"c": 7.119356155395508,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrTa2Pb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530353
|
[
"Sc",
"Pr",
"Ta"
] |
[
59,
59,
59,
59,
21,
21,
21,
21,
73,
73,
73,
73,
73,
73,
73,
73
] | 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": 7.065802097320557,
"b": 7.065802097320557,
"c": 7.065802097320557,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PrScTa2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530371
|
[
"Mg",
"V",
"Ta"
] |
[
12,
12,
12,
12,
73,
73,
73,
73,
73,
73,
73,
73,
23,
23,
23,
23
] | 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": 6.473124027252197,
"b": 6.473124027252197,
"c": 6.473124027252197,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgTa2V
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530386
|
[
"Si",
"Eu",
"Ta"
] |
[
63,
63,
63,
63,
73,
73,
73,
73,
73,
73,
73,
73,
14,
14,
14,
14
] | 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": 6.561642169952393,
"b": 6.561642169952393,
"c": 6.561642169952393,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
EuTa2Si
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_yNvi5ZvIwNIYHMfKqPgKXoqaXlH3
|
[
"Rb",
"Zr",
"Ta"
] |
[
37,
37,
37,
37,
40,
40,
40,
40,
73,
73,
73,
73,
73,
73,
73,
73
] | 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": 7.148297309875488,
"b": 7.148297309875488,
"c": 7.148297309875488,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
RbZrTa2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530434
|
[
"Ti",
"Te",
"Ta"
] |
[
73,
73,
73,
73,
73,
73,
73,
73,
22,
22,
22,
22,
52,
52,
52,
52
] | 16
| 3
|
[
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.663462162017822,
"b": 6.663462162017822,
"c": 6.663462162017822,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ta2TiTe
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530454
|
[
"Si",
"Ta",
"Bi"
] |
[
73,
73,
73,
73,
73,
73,
73,
73,
14,
14,
14,
14,
83,
83,
83,
83
] | 16
| 3
|
[
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.68209981918335,
"b": 6.68209981918335,
"c": 6.68209981918335,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ta2SiBi
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530468
|
[
"B",
"Ta",
"Pa"
] |
[
91,
91,
91,
91,
73,
73,
73,
73,
73,
73,
73,
73,
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": 6.456361770629883,
"b": 6.456361770629883,
"c": 6.456361770629883,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PaTa2B
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530480
|
[
"Si",
"K",
"Ta"
] |
[
19,
19,
19,
19,
73,
73,
73,
73,
73,
73,
73,
73,
14,
14,
14,
14
] | 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": 6.632122039794922,
"b": 6.632122039794922,
"c": 6.632122039794922,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KTa2Si
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530496
|
[
"As",
"Ta",
"Au"
] |
[
73,
73,
73,
73,
73,
73,
73,
73,
33,
33,
33,
33,
79,
79,
79,
79
] | 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": 6.495297908782959,
"b": 6.495297908782959,
"c": 6.495297908782959,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ta2AsAu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530506
|
[
"Na",
"Dy",
"Ta"
] |
[
11,
11,
11,
11,
66,
66,
66,
66,
73,
73,
73,
73,
73,
73,
73,
73
] | 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": 7.005623817443848,
"b": 7.005623817443848,
"c": 7.005623817443848,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaDyTa2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_DcHyYHPLf-q1C-zRVTcItV2I7TN-
|
[
"Ca",
"Sb",
"Ta"
] |
[
20,
20,
20,
20,
73,
73,
73,
73,
73,
73,
73,
73,
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": 6.9216485023498535,
"b": 6.9216485023498535,
"c": 6.9216485023498535,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CaTa2Sb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530535
|
[
"Ni",
"Ce",
"Ta"
] |
[
58,
58,
58,
58,
73,
73,
73,
73,
73,
73,
73,
73,
28,
28,
28,
28
] | 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": 6.661911964416504,
"b": 6.661911964416504,
"c": 6.661911964416504,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CeTa2Ni
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_ezvsOOoXQwhwFEhcMnJw85M5EvHR
|
[
"Li",
"Er",
"Ta"
] |
[
3,
3,
3,
3,
68,
68,
68,
68,
73,
73,
73,
73,
73,
73,
73,
73
] | 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": 6.735546112060547,
"b": 6.735546112060547,
"c": 6.735546112060547,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LiErTa2
|
general_inorganic
| true
| 4
| null | null | null | null |
[
"li"
] |
external_cif_tar
|
tar:OQMD_530569
|
[
"Ti",
"Ta",
"Tl"
] |
[
73,
73,
73,
73,
73,
73,
73,
73,
22,
22,
22,
22,
81,
81,
81,
81
] | 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": 6.681560039520264,
"b": 6.681560039520264,
"c": 6.681560039520264,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ta2TiTl
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530581
|
[
"Al",
"Ta",
"Hg"
] |
[
73,
73,
73,
73,
73,
73,
73,
73,
13,
13,
13,
13,
80,
80,
80,
80
] | 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": 6.5936598777771,
"b": 6.5936598777771,
"c": 6.5936598777771,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ta2AlHg
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530596
|
[
"Pd",
"Ta",
"Re"
] |
[
73,
73,
73,
73,
73,
73,
73,
73,
75,
75,
75,
75,
46,
46,
46,
46
] | 16
| 3
|
[
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.420301914215088,
"b": 6.420301914215088,
"c": 6.420301914215088,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ta2RePd
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_YgGx0HAj4j9YOgflnN09KqfkxlGt
|
[
"Gd",
"Ta",
"Pb"
] |
[
64,
64,
64,
64,
73,
73,
73,
73,
73,
73,
73,
73,
82,
82,
82,
82
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.996293544769287,
"b": 6.996293544769287,
"c": 6.996293544769287,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GdTa2Pb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530635
|
[
"V",
"Rb",
"Ta"
] |
[
37,
37,
37,
37,
73,
73,
73,
73,
73,
73,
73,
73,
23,
23,
23,
23
] | 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": 6.805222034454346,
"b": 6.805222034454346,
"c": 6.805222034454346,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
RbTa2V
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530650
|
[
"Cs",
"Ta",
"Pa"
] |
[
55,
55,
55,
55,
91,
91,
91,
91,
73,
73,
73,
73,
73,
73,
73,
73
] | 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": 7.299739837646484,
"b": 7.299739837646484,
"c": 7.299739837646484,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsPaTa2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530664
|
[
"Nb",
"Ta",
"U"
] |
[
92,
92,
92,
92,
73,
73,
73,
73,
73,
73,
73,
73,
41,
41,
41,
41
] | 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": 6.728968143463135,
"b": 6.728968143463135,
"c": 6.728968143463135,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
UTa2Nb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530679
|
[
"Rb",
"In",
"Ta"
] |
[
37,
37,
37,
37,
73,
73,
73,
73,
73,
73,
73,
73,
49,
49,
49,
49
] | 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": 7.062300205230713,
"b": 7.062300205230713,
"c": 7.062300205230713,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
RbTa2In
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530700
|
[
"Ho",
"Ta",
"Au"
] |
[
67,
67,
67,
67,
73,
73,
73,
73,
73,
73,
73,
73,
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": 6.735139846801758,
"b": 6.735139846801758,
"c": 6.735139846801758,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HoTa2Au
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530714
|
[
"Li",
"Cs",
"Ta"
] |
[
55,
55,
55,
55,
3,
3,
3,
3,
73,
73,
73,
73,
73,
73,
73,
73
] | 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": 6.8339738845825195,
"b": 6.8339738845825195,
"c": 6.8339738845825195,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsLiTa2
|
general_inorganic
| true
| 4
| null | null | null | null |
[
"li"
] |
external_cif_tar
|
tar:OQMD_530731
|
[
"Mg",
"Ta",
"Th"
] |
[
90,
90,
90,
90,
12,
12,
12,
12,
73,
73,
73,
73,
73,
73,
73,
73
] | 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": 6.976317882537842,
"b": 6.976317882537842,
"c": 6.976317882537842,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThMgTa2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530747
|
[
"V",
"As",
"Ta"
] |
[
73,
73,
73,
73,
73,
73,
73,
73,
23,
23,
23,
23,
33,
33,
33,
33
] | 16
| 3
|
[
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.364952087402344,
"b": 6.364952087402344,
"c": 6.364952087402344,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Ta2VAs
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_QVksGEO7wxGdd2zKpeivoFAt5mr8
|
[
"K",
"Nd",
"Ta"
] |
[
19,
19,
19,
19,
60,
60,
60,
60,
73,
73,
73,
73,
73,
73,
73,
73
] | 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": 7.380391597747803,
"b": 7.380391597747803,
"c": 7.380391597747803,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KNdTa2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_IsSv5N8HuvEcwEve57mYcizz4rxp
|
[
"Er",
"Ta",
"Tl"
] |
[
68,
68,
68,
68,
73,
73,
73,
73,
73,
73,
73,
73,
81,
81,
81,
81
] | 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": 6.922347545623779,
"b": 6.922347545623779,
"c": 6.922347545623779,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ErTa2Tl
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_530795
|
[
"Y",
"In",
"Ta"
] |
[
39,
39,
39,
39,
73,
73,
73,
73,
73,
73,
73,
73,
49,
49,
49,
49
] | 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": 6.938908100128174,
"b": 6.938908100128174,
"c": 6.938908100128174,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YTa2In
|
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.