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_509530
|
[
"Pm",
"Eu",
"Bi"
] |
[
61,
61,
61,
61,
63,
63,
63,
63,
63,
63,
63,
63,
83,
83,
83,
83
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 8.061180114746094,
"b": 8.061180114746094,
"c": 8.061180114746094,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmEu2Bi
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_A-zmvwYCBudYjruc_IUYSRPtTSL6
|
[
"Pr",
"Eu",
"Hg"
] |
[
59,
59,
59,
59,
63,
63,
63,
63,
63,
63,
63,
63,
80,
80,
80,
80
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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": 7.915763854980469,
"b": 7.915763854980469,
"c": 7.915763854980469,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PrEu2Hg
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509558
|
[
"La",
"Eu",
"Ta"
] |
[
57,
57,
57,
57,
63,
63,
63,
63,
63,
63,
63,
63,
73,
73,
73,
73
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.832605838775635,
"b": 7.832605838775635,
"c": 7.832605838775635,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaEu2Ta
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509572
|
[
"Fe",
"Nb",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
41,
41,
41,
41,
26,
26,
26,
26
] | 16
| 3
|
[
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 7.008892059326172,
"b": 7.008892059326172,
"c": 7.008892059326172,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2NbFe
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509594
|
[
"Rh",
"Eu",
"Ho"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
67,
67,
67,
67,
45,
45,
45,
45
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.379613876342773,
"b": 7.379613876342773,
"c": 7.379613876342773,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2HoRh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509615
|
[
"Ni",
"Sr",
"Eu"
] |
[
38,
38,
38,
38,
63,
63,
63,
63,
63,
63,
63,
63,
28,
28,
28,
28
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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": 7.631130218505859,
"b": 7.631130218505859,
"c": 7.631130218505859,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrEu2Ni
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_Cdfxq3S3GMPj3E5eByUM5zydOIQT
|
[
"Ga",
"Eu",
"Gd"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
64,
64,
64,
64,
31,
31,
31,
31
] | 16
| 3
|
[
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 7.782179355621338,
"b": 7.782179355621338,
"c": 7.782179355621338,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2GdGa
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_iJDbIjZMokRG10EGUSjnI035I_eY
|
[
"Ce",
"Eu",
"Os"
] |
[
58,
58,
58,
58,
63,
63,
63,
63,
63,
63,
63,
63,
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": 7.3441972732543945,
"b": 7.3441972732543945,
"c": 7.3441972732543945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CeEu2Os
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509660
|
[
"Sm",
"Eu",
"U"
] |
[
62,
62,
62,
62,
63,
63,
63,
63,
63,
63,
63,
63,
92,
92,
92,
92
] | 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": 8.213297843933105,
"b": 8.213297843933105,
"c": 8.213297843933105,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SmEu2U
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509675
|
[
"B",
"Ba",
"Eu"
] |
[
56,
56,
56,
56,
63,
63,
63,
63,
63,
63,
63,
63,
5,
5,
5,
5
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 7.4230780601501465,
"b": 7.4230780601501465,
"c": 7.4230780601501465,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BaEu2B
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509692
|
[
"In",
"Eu",
"Ho"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
67,
67,
67,
67,
49,
49,
49,
49
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.938327789306641,
"b": 7.938327789306641,
"c": 7.938327789306641,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2HoIn
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509708
|
[
"As",
"Sn",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
50,
50,
50,
50,
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": 7.635287761688232,
"b": 7.635287761688232,
"c": 7.635287761688232,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2SnAs
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_6wIpUjkui8AEw6riNeTqZEzT69b3
|
[
"Eu",
"Hf",
"U"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
72,
72,
72,
72,
92,
92,
92,
92
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.626593589782715,
"b": 7.626593589782715,
"c": 7.626593589782715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2HfU
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_JhxO6lTAxyqyR7ev4mrIukMUiGPt
|
[
"Na",
"Eu",
"Au"
] |
[
11,
11,
11,
11,
63,
63,
63,
63,
63,
63,
63,
63,
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": 7.66876745223999,
"b": 7.66876745223999,
"c": 7.66876745223999,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaEu2Au
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_NeDd8OXo7DewYwiPrukMgxF9loaO
|
[
"Mg",
"Eu",
"Au"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
12,
12,
12,
12,
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": 7.589583873748779,
"b": 7.589583873748779,
"c": 7.589583873748779,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2MgAu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509772
|
[
"Co",
"Eu",
"Pt"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
27,
27,
27,
27,
78,
78,
78,
78
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.910280227661133,
"b": 6.910280227661133,
"c": 6.910280227661133,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2CoPt
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509779
|
[
"Tc",
"Eu",
"Pt"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
43,
43,
43,
43,
78,
78,
78,
78
] | 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": 6.953236103057861,
"b": 6.953236103057861,
"c": 6.953236103057861,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2TcPt
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_NNWOPSmc7g5CbkQ5uKPEDZVDRHra
|
[
"Zr",
"Eu",
"Ho"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
67,
67,
67,
67,
40,
40,
40,
40
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.960537433624268,
"b": 7.960537433624268,
"c": 7.960537433624268,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2HoZr
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509810
|
[
"Si",
"Sm",
"Eu"
] |
[
62,
62,
62,
62,
63,
63,
63,
63,
63,
63,
63,
63,
14,
14,
14,
14
] | 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": 7.667769908905029,
"b": 7.667769908905029,
"c": 7.667769908905029,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SmEu2Si
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_RKPx4lR9v4K_9dFgPoQlbMqQ5WHw
|
[
"Ce",
"Sm",
"Eu"
] |
[
58,
58,
58,
58,
62,
62,
62,
62,
63,
63,
63,
63,
63,
63,
63,
63
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 8.468213081359863,
"b": 8.468213081359863,
"c": 8.468213081359863,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CeSmEu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509838
|
[
"As",
"Y",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
39,
39,
39,
39,
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": 7.721102237701416,
"b": 7.721102237701416,
"c": 7.721102237701416,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2YAs
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509854
|
[
"Si",
"Eu",
"Hg"
] |
[
63,
63,
63,
63,
63,
63,
63,
63,
14,
14,
14,
14,
80,
80,
80,
80
] | 16
| 3
|
[
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 7.522984027862549,
"b": 7.522984027862549,
"c": 7.522984027862549,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Eu2SiHg
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_m48Ph4BfkBLm9zv4RNy0mjB-OgbU
|
[
"Ce",
"Eu",
"Hf"
] |
[
58,
58,
58,
58,
63,
63,
63,
63,
63,
63,
63,
63,
72,
72,
72,
72
] | 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": 8.081300735473633,
"b": 8.081300735473633,
"c": 8.081300735473633,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CeEu2Hf
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_8fguQrBsb_QEUkQ64GTDd7CKKGfU
|
[
"Al",
"Gd",
"Th"
] |
[
64,
64,
64,
64,
90,
90,
90,
90,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 7.3839592933654785,
"b": 7.3839592933654785,
"c": 7.3839592933654785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GdThAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_jpoHaKpTkCWQJPaEx06pyWmfSMbT
|
[
"Al",
"Nd",
"Re"
] |
[
60,
60,
60,
60,
13,
13,
13,
13,
13,
13,
13,
13,
75,
75,
75,
75
] | 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": 6.689203262329102,
"b": 6.689203262329102,
"c": 6.689203262329102,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdAl2Re
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_6Q-0bzAyOZnBRM28IXmC9LWYknaf
|
[
"Al",
"Sn",
"Tm"
] |
[
69,
69,
69,
69,
13,
13,
13,
13,
13,
13,
13,
13,
50,
50,
50,
50
] | 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": 7.080648422241211,
"b": 7.080648422241211,
"c": 7.080648422241211,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TmAl2Sn
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509926
|
[
"Al",
"Dy",
"Os"
] |
[
66,
66,
66,
66,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.4971160888671875,
"b": 6.4971160888671875,
"c": 6.4971160888671875,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyAl2Os
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509939
|
[
"Al",
"Ta",
"Au"
] |
[
73,
73,
73,
73,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.397838115692139,
"b": 6.397838115692139,
"c": 6.397838115692139,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TaAl2Au
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_5DqKoeaOh8Ho0UDFLFgze3CG8Ezf
|
[
"Al",
"Ti",
"Ni"
] |
[
22,
22,
22,
22,
13,
13,
13,
13,
13,
13,
13,
13,
28,
28,
28,
28
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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": 6.086280345916748,
"b": 6.086280345916748,
"c": 6.086280345916748,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TiAl2Ni
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509967
|
[
"Mg",
"Al",
"Si"
] |
[
12,
12,
12,
12,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.5370001792907715,
"b": 6.5370001792907715,
"c": 6.5370001792907715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgAl2Si
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_509979
|
[
"Al",
"Ga",
"Sr"
] |
[
38,
38,
38,
38,
13,
13,
13,
13,
13,
13,
13,
13,
31,
31,
31,
31
] | 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": 7.157792091369629,
"b": 7.157792091369629,
"c": 7.157792091369629,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrAl2Ga
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_b6qiC_q8oCDB_BgBBI_xL9Y7Cqfr
|
[
"Al",
"Co",
"Rb"
] |
[
37,
37,
37,
37,
13,
13,
13,
13,
13,
13,
13,
13,
27,
27,
27,
27
] | 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": 6.952513217926025,
"b": 6.952513217926025,
"c": 6.952513217926025,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
RbAl2Co
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510016
|
[
"Al",
"Pr",
"Os"
] |
[
59,
59,
59,
59,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.664916038513184,
"b": 6.664916038513184,
"c": 6.664916038513184,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PrAl2Os
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_Lqb4upSqmDPKz_alahLIh62doxCi
|
[
"Al",
"Cu",
"Tb"
] |
[
65,
65,
65,
65,
13,
13,
13,
13,
13,
13,
13,
13,
29,
29,
29,
29
] | 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": 6.613963603973389,
"b": 6.613963603973389,
"c": 6.613963603973389,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TbAl2Cu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510048
|
[
"Al",
"Mo",
"Ag"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
47,
47,
47,
47,
42,
42,
42,
42
] | 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": 6.254685878753662,
"b": 6.254685878753662,
"c": 6.254685878753662,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2AgMo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_OTPO0SSQ4bLrAYyvbtq4Svb1-sHh
|
[
"Al",
"Er",
"Os"
] |
[
68,
68,
68,
68,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.465305805206299,
"b": 6.465305805206299,
"c": 6.465305805206299,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ErAl2Os
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510084
|
[
"Al",
"Sr",
"Sb"
] |
[
38,
38,
38,
38,
13,
13,
13,
13,
13,
13,
13,
13,
51,
51,
51,
51
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 7.503509998321533,
"b": 7.503509998321533,
"c": 7.503509998321533,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrAl2Sb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_8WDlE8XrXBuVaI9-zS9QxO6RuAIq
|
[
"Al",
"K",
"Fe"
] |
[
19,
19,
19,
19,
13,
13,
13,
13,
13,
13,
13,
13,
26,
26,
26,
26
] | 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": 6.632071018218994,
"b": 6.632071018218994,
"c": 6.632071018218994,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KAl2Fe
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510117
|
[
"Al",
"Sr",
"Ac"
] |
[
38,
38,
38,
38,
89,
89,
89,
89,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 7.905156135559082,
"b": 7.905156135559082,
"c": 7.905156135559082,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrAcAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510128
|
[
"B",
"Al",
"Re"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
75,
75,
75,
75,
5,
5,
5,
5
] | 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": 5.901753902435303,
"b": 5.901753902435303,
"c": 5.901753902435303,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2ReB
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_38wRNKh6K8dWQuLFnQ8AFv2VbPB3
|
[
"Al",
"Er",
"Yb"
] |
[
70,
70,
70,
70,
68,
68,
68,
68,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 7.244243144989014,
"b": 7.244243144989014,
"c": 7.244243144989014,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YbErAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510158
|
[
"Be",
"Al",
"Zn"
] |
[
4,
4,
4,
4,
13,
13,
13,
13,
13,
13,
13,
13,
30,
30,
30,
30
] | 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": 6.083362102508545,
"b": 6.083362102508545,
"c": 6.083362102508545,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BeAl2Zn
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510174
|
[
"Al",
"Co",
"Tl"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
81,
81,
81,
81,
27,
27,
27,
27
] | 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": 6.4376540184021,
"b": 6.4376540184021,
"c": 6.4376540184021,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2TlCo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_ENiT5RjMdIxaeo-_wGv7c306eSNK
|
[
"Al",
"In",
"Ac"
] |
[
89,
89,
89,
89,
13,
13,
13,
13,
13,
13,
13,
13,
49,
49,
49,
49
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.390377521514893,
"b": 7.390377521514893,
"c": 7.390377521514893,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
AcAl2In
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510208
|
[
"Al",
"Yb",
"Bi"
] |
[
70,
70,
70,
70,
13,
13,
13,
13,
13,
13,
13,
13,
83,
83,
83,
83
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 7.346630096435547,
"b": 7.346630096435547,
"c": 7.346630096435547,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YbAl2Bi
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510222
|
[
"Al",
"In",
"Pb"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
49,
49,
49,
49,
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": 7.096643924713135,
"b": 7.096643924713135,
"c": 7.096643924713135,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2InPb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510234
|
[
"Al",
"Nb",
"Ag"
] |
[
41,
41,
41,
41,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.394291877746582,
"b": 6.394291877746582,
"c": 6.394291877746582,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NbAl2Ag
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_z-k5EA1FHiIm1PXDTE9cxRx5X5MR
|
[
"Al",
"Ge",
"Nb"
] |
[
41,
41,
41,
41,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.49735689163208,
"b": 6.49735689163208,
"c": 6.49735689163208,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NbAl2Ge
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_6u_tnnbsdOUgPaIGoN-rfCAyTTa3
|
[
"Al",
"K",
"Ce"
] |
[
19,
19,
19,
19,
58,
58,
58,
58,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 7.760349750518799,
"b": 7.760349750518799,
"c": 7.760349750518799,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KCeAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510296
|
[
"Al",
"Sc",
"La"
] |
[
57,
57,
57,
57,
21,
21,
21,
21,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 7.191289901733398,
"b": 7.191289901733398,
"c": 7.191289901733398,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaScAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510312
|
[
"Al",
"Ga",
"Zr"
] |
[
40,
40,
40,
40,
13,
13,
13,
13,
13,
13,
13,
13,
31,
31,
31,
31
] | 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": 6.653495788574219,
"b": 6.653495788574219,
"c": 6.653495788574219,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ZrAl2Ga
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_vWuRxdIW2IMMfAXt_bpUumatiIDF
|
[
"Al",
"Sc",
"Tm"
] |
[
69,
69,
69,
69,
21,
21,
21,
21,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 6.928995609283447,
"b": 6.928995609283447,
"c": 6.928995609283447,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TmScAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510344
|
[
"Al",
"Ba",
"Ac"
] |
[
56,
56,
56,
56,
89,
89,
89,
89,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 8.082648277282715,
"b": 8.082648277282715,
"c": 8.082648277282715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BaAcAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510358
|
[
"Al",
"Mn",
"Cu"
] |
[
25,
25,
25,
25,
13,
13,
13,
13,
13,
13,
13,
13,
29,
29,
29,
29
] | 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": 5.921234130859375,
"b": 5.921234130859375,
"c": 5.921234130859375,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MnAl2Cu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510371
|
[
"Mg",
"Al",
"Ag"
] |
[
12,
12,
12,
12,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.567609786987305,
"b": 6.567609786987305,
"c": 6.567609786987305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgAl2Ag
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510387
|
[
"Al",
"Zn",
"Ge"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
30,
30,
30,
30,
32,
32,
32,
32
] | 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": 6.4903459548950195,
"b": 6.4903459548950195,
"c": 6.4903459548950195,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2ZnGe
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510402
|
[
"Al",
"Pm",
"Th"
] |
[
61,
61,
61,
61,
90,
90,
90,
90,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 7.432878017425537,
"b": 7.432878017425537,
"c": 7.432878017425537,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmThAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510415
|
[
"Na",
"Al",
"Si"
] |
[
11,
11,
11,
11,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.625676155090332,
"b": 6.625676155090332,
"c": 6.625676155090332,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaAl2Si
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510426
|
[
"Al",
"Ga",
"Sb"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
31,
31,
31,
31,
51,
51,
51,
51
] | 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": 6.902061939239502,
"b": 6.902061939239502,
"c": 6.902061939239502,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2GaSb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_s0CksVLz6gImC4hOp16bnsn9SUY4
|
[
"Al",
"K",
"Tl"
] |
[
19,
19,
19,
19,
13,
13,
13,
13,
13,
13,
13,
13,
81,
81,
81,
81
] | 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": 7.511435508728027,
"b": 7.511435508728027,
"c": 7.511435508728027,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KAl2Tl
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510459
|
[
"Al",
"Fe",
"Cd"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
48,
48,
48,
48,
26,
26,
26,
26
] | 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": 6.15500020980835,
"b": 6.15500020980835,
"c": 6.15500020980835,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2CdFe
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_UOl1Vc5n8NAwZ6c82H3tQHBusSmx
|
[
"Al",
"La",
"Re"
] |
[
57,
57,
57,
57,
13,
13,
13,
13,
13,
13,
13,
13,
75,
75,
75,
75
] | 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": 6.7627434730529785,
"b": 6.7627434730529785,
"c": 6.7627434730529785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LaAl2Re
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510490
|
[
"Al",
"Te",
"Cs"
] |
[
55,
55,
55,
55,
13,
13,
13,
13,
13,
13,
13,
13,
52,
52,
52,
52
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.983727931976318,
"b": 7.983727931976318,
"c": 7.983727931976318,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsAl2Te
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510504
|
[
"Al",
"Zr",
"Np"
] |
[
40,
40,
40,
40,
93,
93,
93,
93,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 6.93390417098999,
"b": 6.93390417098999,
"c": 6.93390417098999,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ZrNpAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510522
|
[
"Al",
"Zn",
"As"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
30,
30,
30,
30,
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": 6.5173420906066895,
"b": 6.5173420906066895,
"c": 6.5173420906066895,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2ZnAs
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_2ZbXWPW9ZX98S8COXPhdtuRK81A1
|
[
"Al",
"Mo",
"Th"
] |
[
90,
90,
90,
90,
13,
13,
13,
13,
13,
13,
13,
13,
42,
42,
42,
42
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.854025840759277,
"b": 6.854025840759277,
"c": 6.854025840759277,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThAl2Mo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510549
|
[
"Al",
"Mo",
"Os"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
42,
42,
42,
42,
76,
76,
76,
76
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.138028144836426,
"b": 6.138028144836426,
"c": 6.138028144836426,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2MoOs
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510561
|
[
"Mg",
"Al",
"Os"
] |
[
12,
12,
12,
12,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.213724136352539,
"b": 6.213724136352539,
"c": 6.213724136352539,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgAl2Os
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510572
|
[
"Al",
"Cr",
"Y"
] |
[
39,
39,
39,
39,
13,
13,
13,
13,
13,
13,
13,
13,
24,
24,
24,
24
] | 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": 6.667821884155273,
"b": 6.667821884155273,
"c": 6.667821884155273,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YAl2Cr
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510590
|
[
"Al",
"Ga",
"Pu"
] |
[
94,
94,
94,
94,
13,
13,
13,
13,
13,
13,
13,
13,
31,
31,
31,
31
] | 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": 6.745041847229004,
"b": 6.745041847229004,
"c": 6.745041847229004,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PuAl2Ga
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510603
|
[
"Al",
"Cs",
"Gd"
] |
[
55,
55,
55,
55,
64,
64,
64,
64,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 7.9174981117248535,
"b": 7.9174981117248535,
"c": 7.9174981117248535,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsGdAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510619
|
[
"Al",
"Ni",
"Pu"
] |
[
94,
94,
94,
94,
13,
13,
13,
13,
13,
13,
13,
13,
28,
28,
28,
28
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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": 6.469103813171387,
"b": 6.469103813171387,
"c": 6.469103813171387,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PuAl2Ni
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_Z6RJtFrsNIZQ2UakC2tV6_diEOdh
|
[
"Al",
"W",
"Re"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
75,
75,
75,
75,
74,
74,
74,
74
] | 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": 6.193888187408447,
"b": 6.193888187408447,
"c": 6.193888187408447,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2ReW
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510655
|
[
"Al",
"Cu",
"Dy"
] |
[
66,
66,
66,
66,
13,
13,
13,
13,
13,
13,
13,
13,
29,
29,
29,
29
] | 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": 6.595404148101807,
"b": 6.595404148101807,
"c": 6.595404148101807,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyAl2Cu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510670
|
[
"Al",
"Ir",
"Pt"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
77,
77,
77,
77,
78,
78,
78,
78
] | 16
| 3
|
[
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.116318225860596,
"b": 6.116318225860596,
"c": 6.116318225860596,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2IrPt
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_KFhJg43IX3PhKrhCgQcBa0B8nZiN
|
[
"Al",
"Tc",
"Tb"
] |
[
65,
65,
65,
65,
13,
13,
13,
13,
13,
13,
13,
13,
43,
43,
43,
43
] | 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": 6.592675685882568,
"b": 6.592675685882568,
"c": 6.592675685882568,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TbAl2Tc
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510693
|
[
"Mg",
"Al",
"Tl"
] |
[
12,
12,
12,
12,
13,
13,
13,
13,
13,
13,
13,
13,
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": 7.00206184387207,
"b": 7.00206184387207,
"c": 7.00206184387207,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MgAl2Tl
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_fpcvAibv7bFuA3xbxiD_BKVyndRY
|
[
"Al",
"Dy",
"Hf"
] |
[
66,
66,
66,
66,
72,
72,
72,
72,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 6.938853740692139,
"b": 6.938853740692139,
"c": 6.938853740692139,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
DyHfAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510723
|
[
"Al",
"Pt",
"Au"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
78,
78,
78,
78,
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": 6.264331817626953,
"b": 6.264331817626953,
"c": 6.264331817626953,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2PtAu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510738
|
[
"Li",
"Al",
"Ta"
] |
[
3,
3,
3,
3,
73,
73,
73,
73,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 6.361638069152832,
"b": 6.361638069152832,
"c": 6.361638069152832,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LiTaAl2
|
general_inorganic
| true
| 4
| null | null | null | null |
[
"li"
] |
external_cif_tar
|
tar:OQMD_510755
|
[
"Al",
"Mn",
"Pu"
] |
[
94,
94,
94,
94,
25,
25,
25,
25,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 6.618504047393799,
"b": 6.618504047393799,
"c": 6.618504047393799,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PuMnAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_HvM1GNLKw0vET02RvIkVOtPsmg4Y
|
[
"Al",
"Ru",
"Gd"
] |
[
64,
64,
64,
64,
13,
13,
13,
13,
13,
13,
13,
13,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.5617218017578125,
"b": 6.5617218017578125,
"c": 6.5617218017578125,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GdAl2Ru
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510787
|
[
"Al",
"Ni",
"Pa"
] |
[
91,
91,
91,
91,
13,
13,
13,
13,
13,
13,
13,
13,
28,
28,
28,
28
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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": 6.576305866241455,
"b": 6.576305866241455,
"c": 6.576305866241455,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PaAl2Ni
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510800
|
[
"Al",
"Zn",
"Re"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
30,
30,
30,
30,
75,
75,
75,
75
] | 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": 6.14532995223999,
"b": 6.14532995223999,
"c": 6.14532995223999,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2ZnRe
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510815
|
[
"Al",
"Ti",
"Cu"
] |
[
22,
22,
22,
22,
13,
13,
13,
13,
13,
13,
13,
13,
29,
29,
29,
29
] | 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": 6.174205780029297,
"b": 6.174205780029297,
"c": 6.174205780029297,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TiAl2Cu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_WVjVqKypBuHYZkgp0z_SBVwhf2TI
|
[
"Al",
"Ta",
"Th"
] |
[
90,
90,
90,
90,
73,
73,
73,
73,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 6.956070899963379,
"b": 6.956070899963379,
"c": 6.956070899963379,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ThTaAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_eG76_CWGdvckt1I00mEu1fUHg_sQ
|
[
"Li",
"Al",
"Gd"
] |
[
3,
3,
3,
3,
64,
64,
64,
64,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 6.872365474700928,
"b": 6.872365474700928,
"c": 6.872365474700928,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
LiGdAl2
|
general_inorganic
| true
| 4
| null | null | null | null |
[
"li"
] |
external_cif_tar
|
tar:NOMAD_ZLdAjPCvqHsbx5YuogMrWgomgqpB
|
[
"Al",
"Nb",
"Te"
] |
[
41,
41,
41,
41,
13,
13,
13,
13,
13,
13,
13,
13,
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": 6.818329334259033,
"b": 6.818329334259033,
"c": 6.818329334259033,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NbAl2Te
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510887
|
[
"Al",
"Nb",
"Hg"
] |
[
41,
41,
41,
41,
13,
13,
13,
13,
13,
13,
13,
13,
80,
80,
80,
80
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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": 6.5340399742126465,
"b": 6.5340399742126465,
"c": 6.5340399742126465,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NbAl2Hg
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510899
|
[
"Al",
"As",
"Ag"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
47,
47,
47,
47,
33,
33,
33,
33
] | 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": 6.568570137023926,
"b": 6.568570137023926,
"c": 6.568570137023926,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2AgAs
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_z97PJgGiDC8Y2_hj42m51MLMFdPM
|
[
"Al",
"Te",
"Pu"
] |
[
94,
94,
94,
94,
13,
13,
13,
13,
13,
13,
13,
13,
52,
52,
52,
52
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.249043941497803,
"b": 7.249043941497803,
"c": 7.249043941497803,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PuAl2Te
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_w3UbiAyATXgZ-Qh5X6lOy8tpAKhQ
|
[
"Al",
"Fe",
"Au"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
26,
26,
26,
26,
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": 6.071784019470215,
"b": 6.071784019470215,
"c": 6.071784019470215,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2FeAu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510947
|
[
"Al",
"Ce",
"Lu"
] |
[
58,
58,
58,
58,
71,
71,
71,
71,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 7.3271098136901855,
"b": 7.3271098136901855,
"c": 7.3271098136901855,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CeLuAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510960
|
[
"Al",
"Yb",
"Pa"
] |
[
70,
70,
70,
70,
91,
91,
91,
91,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 7.1950459480285645,
"b": 7.1950459480285645,
"c": 7.1950459480285645,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YbPaAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_510975
|
[
"Mg",
"Al",
"Ho"
] |
[
67,
67,
67,
67,
12,
12,
12,
12,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 6.960549831390381,
"b": 6.960549831390381,
"c": 6.960549831390381,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HoMgAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_4TPYNIjMHhvxS1mC-jy0BDYFuXKX
|
[
"Al",
"K",
"Rh"
] |
[
19,
19,
19,
19,
13,
13,
13,
13,
13,
13,
13,
13,
45,
45,
45,
45
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.670367240905762,
"b": 6.670367240905762,
"c": 6.670367240905762,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KAl2Rh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_SCpTMfCoU0Y0Go9v6GXAIzb5yFKa
|
[
"Mg",
"Al",
"Pu"
] |
[
94,
94,
94,
94,
12,
12,
12,
12,
13,
13,
13,
13,
13,
13,
13,
13
] | 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": 6.9365234375,
"b": 6.9365234375,
"c": 6.9365234375,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PuMgAl2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_511014
|
[
"Al",
"Re",
"Au"
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
75,
75,
75,
75,
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": 6.210422039031982,
"b": 6.210422039031982,
"c": 6.210422039031982,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
Al2ReAu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_511029
|
[
"Al",
"Y",
"Sn"
] |
[
39,
39,
39,
39,
13,
13,
13,
13,
13,
13,
13,
13,
50,
50,
50,
50
] | 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": 7.144589900970459,
"b": 7.144589900970459,
"c": 7.144589900970459,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YAl2Sn
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_511040
|
[
"Na",
"Al",
"Zn"
] |
[
11,
11,
11,
11,
13,
13,
13,
13,
13,
13,
13,
13,
30,
30,
30,
30
] | 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": 6.610616207122803,
"b": 6.610616207122803,
"c": 6.610616207122803,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NaAl2Zn
|
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.