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_401695 | [
"Cu",
"Eu",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
63,
63,
63,
63,
29,
29,
29,
29
] | 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,
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0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
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0.75
],
[
0.75,
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0.75
],
[
0,
0,
0
],
[
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0.5,
0.5
],
[
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],
[
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0
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[
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0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.98803186416626,
"b": 7.98803186416626,
"c": 7.98803186416626,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2EuCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401707 | [
"Na",
"Dy",
"Ac"
] | [
11,
11,
11,
11,
89,
89,
89,
89,
89,
89,
89,
89,
66,
66,
66,
66
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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0
],
[
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],
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],
[
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],
[
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],
[
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0.75,
0.25
],
[
0.75,
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0.25
],
[
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0.75
],
[
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0.75
],
[
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 8.441827774047852,
"b": 8.441827774047852,
"c": 8.441827774047852,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaAc2Dy | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401722 | [
"Fe",
"Tc",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
26,
26,
26,
26,
43,
43,
43,
43
] | 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,
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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": 7.300764083862305,
"b": 7.300764083862305,
"c": 7.300764083862305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2FeTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Rc-ZQisdT0oi7Iu271qPVttiC1j6 | [
"Dy",
"Ac",
"Th"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
66,
66,
66,
66,
90,
90,
90,
90
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
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0.75
],
[
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
],
[
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0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.469653129577637,
"b": 8.469653129577637,
"c": 8.469653129577637,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2DyTh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401753 | [
"Ag",
"Ac",
"Pa"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
91,
91,
91,
91,
47,
47,
47,
47
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
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0.25
],
[
0.75,
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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": 7.954370021820068,
"b": 7.954370021820068,
"c": 7.954370021820068,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2PaAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401772 | [
"Ce",
"Pb",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
58,
58,
58,
58,
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": 8.342351913452148,
"b": 8.342351913452148,
"c": 8.342351913452148,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2CePb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401787 | [
"Ba",
"Ac",
"Th"
] | [
56,
56,
56,
56,
89,
89,
89,
89,
89,
89,
89,
89,
90,
90,
90,
90
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
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0.25
],
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],
[
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],
[
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],
[
0.25,
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0.75
],
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0.75
],
[
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],
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],
[
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],
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0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.888998031616211,
"b": 8.888998031616211,
"c": 8.888998031616211,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaAc2Th | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_XixvejIGZQNNIuWNDlCFKnaSV74w | [
"B",
"Er",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
68,
68,
68,
68,
5,
5,
5,
5
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
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0.25
],
[
0.75,
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0.25
],
[
0.75,
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0.25
],
[
0.75,
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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": 7.795231819152832,
"b": 7.795231819152832,
"c": 7.795231819152832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2ErB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401817 | [
"Be",
"Ca",
"Ac"
] | [
20,
20,
20,
20,
89,
89,
89,
89,
89,
89,
89,
89,
4,
4,
4,
4
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
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0.5,
0
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0.25,
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0.75
],
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0.75
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0.25
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0.25
],
[
0.75,
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],
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0.75
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 8.132548332214355,
"b": 8.132548332214355,
"c": 8.132548332214355,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaAc2Be | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401833 | [
"Mg",
"Ru",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
12,
12,
12,
12,
44,
44,
44,
44
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
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],
[
0.75,
0.25,
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0.75
],
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],
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0
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],
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0,
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0
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0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.680359840393066,
"b": 7.680359840393066,
"c": 7.680359840393066,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2MgRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401849 | [
"B",
"Tm",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
69,
69,
69,
69,
5,
5,
5,
5
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
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0.25
],
[
0.75,
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0.25
],
[
0.75,
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0.25
],
[
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],
[
0.75,
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0.75
],
[
0,
0,
0
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[
0,
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0.5
],
[
0.5,
0,
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[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.784882068634033,
"b": 7.784882068634033,
"c": 7.784882068634033,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2TmB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401865 | [
"Si",
"In",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
49,
49,
49,
49,
14,
14,
14,
14
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
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],
[
0.75,
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],
[
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],
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],
[
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],
[
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],
[
0.75,
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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": 7.93597412109375,
"b": 7.93597412109375,
"c": 7.93597412109375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2InSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401877 | [
"Zr",
"Ag",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
40,
40,
40,
40,
47,
47,
47,
47
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
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],
[
0.25,
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[
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],
[
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[
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[
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[
0.75,
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[
0,
0,
0
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[
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],
[
0.5,
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[
0.5,
0.5,
0
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[
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.94925594329834,
"b": 7.94925594329834,
"c": 7.94925594329834,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2ZrAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401889 | [
"Nd",
"Yb",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
70,
70,
70,
70,
60,
60,
60,
60
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
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],
[
0.25,
0.25,
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],
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],
[
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],
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],
[
0.75,
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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": 8.659028053283691,
"b": 8.659028053283691,
"c": 8.659028053283691,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2YbNd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401899 | [
"Co",
"Pd",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
27,
27,
27,
27,
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
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"alpha": 90,
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} | 225 | Ac2CoPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401915 | [
"Bi",
"Ac",
"U"
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92,
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} | 225 | Ac2UBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401927 | [
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} | 225 | Ac2YbRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401943 | [
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63,
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} | 225 | Ac2EuTh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401955 | [
"Zn",
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89,
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90,
90,
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} | 225 | Ac2ThZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401972 | [
"Mn",
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} | 225 | Ac2MnPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_401986 | [
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"alpha": 90,
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} | 225 | Ac2MnMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402002 | [
"Sb",
"Ac",
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89,
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94,
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} | 225 | Ac2PuSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402017 | [
"Sc",
"V",
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89,
89,
89,
89,
21,
21,
21,
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23,
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"alpha": 90,
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} | 225 | Ac2ScV | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402039 | [
"Pd",
"Ac",
"Pu"
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89,
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89,
89,
89,
89,
94,
94,
94,
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"alpha": 90,
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} | 225 | Ac2PuPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402055 | [
"Li",
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89,
89,
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89,
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} | 225 | LiAc2As | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_402073 | [
"Ga",
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89,
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31,
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} | 225 | Ac2GaSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402090 | [
"Tc",
"Er",
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89,
89,
89,
89,
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68,
68,
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43,
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} | 225 | Ac2ErTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402105 | [
"Fe",
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89,
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89,
89,
89,
89,
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48,
48,
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26,
26,
26
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"alpha": 90,
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} | 225 | Ac2CdFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402118 | [
"Re",
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89,
89,
89,
89,
89,
90,
90,
90,
90,
75,
75,
75,
75
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"alpha": 90,
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} | 225 | Ac2ThRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402136 | [
"Ge",
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] | [
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89,
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89,
89,
89,
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89,
93,
93,
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32,
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} | 225 | Ac2NpGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402149 | [
"Al",
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89,
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13,
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} | 225 | Ac2AlSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402164 | [
"Fe",
"Te",
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26,
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"alpha": 90,
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} | 225 | Ac2FeTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402178 | [
"Mo",
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89,
89,
89,
90,
90,
90,
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42,
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"alpha": 90,
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} | 225 | Ac2ThMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402193 | [
"Ga",
"Yb",
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89,
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89,
89,
89,
89,
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70,
70,
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31,
31,
31,
31
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} | 225 | Ac2YbGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402206 | [
"Mg",
"Os",
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89,
89,
89,
89,
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12,
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76,
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} | 225 | Ac2MgOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_7W87GdKlsZswI7srrCPywFIu01Sg | [
"Pt",
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89,
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89,
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89,
89,
81,
81,
81,
81,
78,
78,
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"alpha": 90,
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} | 225 | Ac2TlPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402242 | [
"Cr",
"Ac",
"Pu"
] | [
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89,
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89,
89,
89,
89,
89,
94,
94,
94,
94,
24,
24,
24,
24
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"alpha": 90,
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} | 225 | Ac2PuCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402253 | [
"Eu",
"Ho",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
63,
63,
63,
63,
67,
67,
67,
67
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"alpha": 90,
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} | 225 | Ac2EuHo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402266 | [
"Ti",
"La",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
57,
57,
57,
57,
22,
22,
22,
22
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] | {
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"alpha": 90,
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} | 225 | Ac2LaTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402281 | [
"Cs",
"Bi",
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] | [
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55,
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89,
89,
89,
89,
89,
89,
89,
89,
83,
83,
83,
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} | 225 | CsAc2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402293 | [
"Ag",
"Hg",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
47,
47,
47,
47,
80,
80,
80,
80
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] | {
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"alpha": 90,
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} | 225 | Ac2AgHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402307 | [
"Y",
"Au",
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] | [
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89,
89,
89,
89,
89,
89,
89,
39,
39,
39,
39,
79,
79,
79,
79
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"alpha": 90,
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} | 225 | Ac2YAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402323 | [
"Ti",
"Ag",
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] | [
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89,
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89,
89,
89,
89,
89,
22,
22,
22,
22,
47,
47,
47,
47
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Ac2TiAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402337 | [
"Tc",
"Ac",
"U"
] | [
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89,
89,
89,
89,
89,
89,
89,
92,
92,
92,
92,
43,
43,
43,
43
] | 16 | 3 | [
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} | 225 | Ac2UTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402350 | [
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} | 225 | LiCaAc2 | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_402363 | [
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} | 225 | Ac2CrAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402380 | [
"Y",
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} | 225 | Ac2YRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_HbaeIzkCM2QzKmTcJw3-0FECSbsu | [
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4,
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} | 225 | Ac2BeAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402405 | [
"Be",
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89,
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89,
89,
89,
89,
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4,
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} | 225 | Ac2BeCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402424 | [
"Si",
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61,
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} | 225 | Ac2PmSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402441 | [
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"Hf",
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} | 225 | Ac2HfNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402456 | [
"Sc",
"Ho",
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89,
89,
89,
89,
89,
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67,
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21,
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} | 225 | Ac2HoSc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402472 | [
"Cd",
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89,
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66,
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} | 225 | Ac2DyCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402490 | [
"Hf",
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89,
89,
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89,
94,
94,
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} | 225 | Ac2PuHf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_c1G6sSQg3Q-k3uvyMyy_fGZQNzTI | [
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89,
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89,
80,
80,
80,
80,
45,
45,
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} | 225 | Ac2HgRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402518 | [
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89,
89,
89,
89,
89,
64,
64,
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77,
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} | 225 | Ac2GdIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402535 | [
"Tc",
"Ce",
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] | [
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89,
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89,
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58,
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43,
43,
43
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} | 225 | Ac2CeTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402553 | [
"Dy",
"Yb",
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] | [
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89,
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89,
89,
89,
70,
70,
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66,
66,
66,
66
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"alpha": 90,
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} | 225 | Ac2YbDy | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402566 | [
"W",
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] | [
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89,
89,
89,
89,
83,
83,
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tar:OQMD_402581 | [
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tar:OQMD_402603 | [
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tar:NOMAD_-l3OFsvZJd6puT8JT_o_ggIDMqxN | [
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tar:OQMD_402632 | [
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tar:OQMD_402666 | [
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tar:OQMD_402680 | [
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tar:NOMAD_2NNXWJo-skE6cvuGTXsNjo2MEyY- | [
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tar:OQMD_402703 | [
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89,
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} | 225 | Ac2MgTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402718 | [
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} | 225 | Ac2MoAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402734 | [
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22,
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} | 225 | LiAc2Ti | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_402750 | [
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} | 225 | Ac2LaGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402763 | [
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81,
81,
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} | 225 | Ac2TlRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402780 | [
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89,
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71,
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24
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} | 225 | Ac2LuCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402793 | [
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89,
89,
89,
69,
69,
69,
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91,
91,
91,
91
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} | 225 | Ac2TmPa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_6mUZsObaC-1P4tccm_YfbzeM3PwX | [
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49,
49,
49,
49
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"alpha": 90,
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} | 225 | Ac2ThIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402822 | [
"Mg",
"W",
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89,
89,
89,
89,
12,
12,
12,
12,
74,
74,
74,
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"alpha": 90,
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} | 225 | Ac2MgW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402834 | [
"Ho",
"Lu",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
67,
67,
67,
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71,
71,
71,
71
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2HoLu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402849 | [
"Ga",
"Re",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
31,
31,
31,
31,
75,
75,
75,
75
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2GaRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402863 | [
"Si",
"W",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
14,
14,
14,
14,
74,
74,
74,
74
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2SiW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402880 | [
"Mn",
"Nb",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
25,
25,
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41,
41,
41,
41
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2MnNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_zT9uphH9J1O9-2Acgle2g4wdMGgm | [
"Tm",
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] | [
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89,
89,
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89,
89,
89,
89,
69,
69,
69,
69,
93,
93,
93,
93
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2TmNp | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402911 | [
"Ti",
"Rb",
"Ac"
] | [
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37,
37,
37,
89,
89,
89,
89,
89,
89,
89,
89,
22,
22,
22,
22
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"alpha": 90,
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} | 225 | RbAc2Ti | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_bJuLoppbksCtNp2VpM-xiBqVZPKx | [
"Rb",
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] | [
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37,
37,
37,
89,
89,
89,
89,
89,
89,
89,
89,
42,
42,
42,
42
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"alpha": 90,
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} | 225 | RbAc2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402953 | [
"As",
"Ta",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
73,
73,
73,
73,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Ac2TaAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402969 | [
"V",
"Tm",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
69,
69,
69,
69,
23,
23,
23,
23
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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} | 225 | Ac2TmV | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_402989 | [
"Sm",
"Yb",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
70,
70,
70,
70,
62,
62,
62,
62
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Ac2YbSm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403007 | [
"Na",
"Cr",
"Ac"
] | [
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11,
11,
11,
89,
89,
89,
89,
89,
89,
89,
89,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | NaAc2Cr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403022 | [
"Be",
"Sm",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
62,
62,
62,
62,
4,
4,
4,
4
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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} | 225 | Ac2SmBe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403037 | [
"B",
"W",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
5,
5,
5,
5,
74,
74,
74,
74
] | 16 | 3 | [
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] | {
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"b": 7.386918067932129,
"c": 7.386918067932129,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2BW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403052 | [
"Mn",
"La",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
57,
57,
57,
57,
25,
25,
25,
25
] | 16 | 3 | [
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0.25
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[
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] | {
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"c": 8.05258560180664,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2LaMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403066 | [
"Sr",
"Sn",
"Ac"
] | [
38,
38,
38,
38,
89,
89,
89,
89,
89,
89,
89,
89,
50,
50,
50,
50
] | 16 | 3 | [
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0
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[
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[
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[
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[
0.5,
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[
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0.5
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] | {
"a": 8.448386192321777,
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"c": 8.448386192321777,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrAc2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403085 | [
"Al",
"Ca",
"Ac"
] | [
20,
20,
20,
20,
89,
89,
89,
89,
89,
89,
89,
89,
13,
13,
13,
13
] | 16 | 3 | [
[
0,
0,
0
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[
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0.5
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[
0.5,
0,
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[
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[
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[
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[
0,
0.5,
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[
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0,
0
],
[
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] | {
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"b": 8.26554012298584,
"c": 8.26554012298584,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaAc2Al | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403098 | [
"Te",
"Er",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
68,
68,
68,
68,
52,
52,
52,
52
] | 16 | 3 | [
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0.75,
0.25
],
[
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],
[
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[
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0.5
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[
0.5,
0,
0.5
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[
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]
] | {
"a": 8.33206844329834,
"b": 8.33206844329834,
"c": 8.33206844329834,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2ErTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403115 | [
"Sn",
"Pt",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
50,
50,
50,
50,
78,
78,
78,
78
] | 16 | 3 | [
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[
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],
[
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[
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[
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0
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[
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[
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[
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[
0,
0.5,
0
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[
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0
],
[
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0.5,
0.5
]
] | {
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"c": 7.8328962326049805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2SnPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403128 | [
"B",
"Ga",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
31,
31,
31,
31,
5,
5,
5,
5
] | 16 | 3 | [
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0.75
],
[
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[
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[
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[
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[
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[
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[
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[
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[
0.5,
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0
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[
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0.5
]
] | {
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"b": 7.5244598388671875,
"c": 7.5244598388671875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2GaB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403141 | [
"Pm",
"Tb",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
65,
65,
65,
65,
61,
61,
61,
61
] | 16 | 3 | [
[
0.25,
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[
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[
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[
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],
[
0.75,
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[
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[
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],
[
0,
0,
0
],
[
0,
0.5,
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],
[
0.5,
0,
0.5
],
[
0.5,
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],
[
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0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 8.507552146911621,
"b": 8.507552146911621,
"c": 8.507552146911621,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2TbPm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_LZduU6dgutz6Y54ePSz1X829KsMO | [
"Cu",
"Nd",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
60,
60,
60,
60,
29,
29,
29,
29
] | 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,
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],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
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],
[
0.5,
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[
0.5,
0.5,
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],
[
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.964461326599121,
"b": 7.964461326599121,
"c": 7.964461326599121,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2NdCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403173 | [
"Al",
"La",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
57,
57,
57,
57,
13,
13,
13,
13
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
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],
[
0.25,
0.25,
0.25
],
[
0.25,
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0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
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0.25
],
[
0.75,
0.25,
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],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
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0.5,
0.5
],
[
0.5,
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[
0.5,
0.5,
0
],
[
0,
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 8.215957641601562,
"b": 8.215957641601562,
"c": 8.215957641601562,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2LaAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403190 | [
"Si",
"Nb",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
41,
41,
41,
41,
14,
14,
14,
14
] | 16 | 3 | [
[
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],
[
0.25,
0.75,
0.25
],
[
0.75,
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[
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],
[
0.25,
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],
[
0.75,
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[
0.25,
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0.25
],
[
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[
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[
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[
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[
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[
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[
0,
0.5,
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
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] | {
"a": 7.778453826904297,
"b": 7.778453826904297,
"c": 7.778453826904297,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2NbSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403205 | [
"La",
"Ac",
"Np"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
57,
57,
57,
57,
93,
93,
93,
93
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
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],
[
0.25,
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],
[
0.25,
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],
[
0.75,
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],
[
0.25,
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],
[
0.75,
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],
[
0,
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[
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],
[
0.5,
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[
0.5,
0,
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],
[
0,
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0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.412537574768066,
"b": 8.412537574768066,
"c": 8.412537574768066,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2LaNp | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403219 | [
"Si",
"Sb",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
14,
14,
14,
14,
51,
51,
51,
51
] | 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,
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],
[
0.5,
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0
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[
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.98613977432251,
"b": 7.98613977432251,
"c": 7.98613977432251,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2SiSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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