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_403233 | [
"Y",
"Dy",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
66,
66,
66,
66,
39,
39,
39,
39
] | 16 | 3 | [
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] | {
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"b": 8.47354793548584,
"c": 8.47354793548584,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2DyY | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403246 | [
"K",
"Rb",
"Ac"
] | [
19,
19,
19,
19,
37,
37,
37,
37,
89,
89,
89,
89,
89,
89,
89,
89
] | 16 | 3 | [
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] | {
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"b": 9.558024406433105,
"c": 9.558024406433105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KRbAc2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_EBwNSFfmEXNDuyxnI2lSNN9P-KOv | [
"Ti",
"Ac",
"U"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
92,
92,
92,
92,
22,
22,
22,
22
] | 16 | 3 | [
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] | {
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"c": 7.881849765777588,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2UTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403274 | [
"Fe",
"Sn",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
26,
26,
26,
26,
50,
50,
50,
50
] | 16 | 3 | [
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] | {
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"c": 7.787318229675293,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2FeSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403288 | [
"Ce",
"Au",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
58,
58,
58,
58,
79,
79,
79,
79
] | 16 | 3 | [
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0.5,
0,
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],
[
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0.5
]
] | {
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"b": 8.060057640075684,
"c": 8.060057640075684,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2CeAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403303 | [
"Na",
"Mn",
"Ac"
] | [
11,
11,
11,
11,
89,
89,
89,
89,
89,
89,
89,
89,
25,
25,
25,
25
] | 16 | 3 | [
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0,
0,
0
],
[
0,
0.5,
0.5
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[
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0.5
]
] | {
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"b": 7.6682281494140625,
"c": 7.6682281494140625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaAc2Mn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403318 | [
"Y",
"Ce",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
58,
58,
58,
58,
39,
39,
39,
39
] | 16 | 3 | [
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0.25
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]
] | {
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"b": 8.593345642089844,
"c": 8.593345642089844,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2CeY | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403342 | [
"Ag",
"Lu",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
71,
71,
71,
71,
47,
47,
47,
47
] | 16 | 3 | [
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0,
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],
[
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0.5
]
] | {
"a": 8.11069393157959,
"b": 8.11069393157959,
"c": 8.11069393157959,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2LuAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_W1MD227J1xxZPR9Imj4vMTCOrSc9 | [
"Rh",
"In",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
49,
49,
49,
49,
45,
45,
45,
45
] | 16 | 3 | [
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[
0.5,
0,
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],
[
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0.5,
0
]
] | {
"a": 7.754147052764893,
"b": 7.754147052764893,
"c": 7.754147052764893,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2InRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403369 | [
"Zn",
"Pt",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
30,
30,
30,
30,
78,
78,
78,
78
] | 16 | 3 | [
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[
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0,
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],
[
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]
] | {
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"b": 7.652356147766113,
"c": 7.652356147766113,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2ZnPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403384 | [
"Zr",
"Pm",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
61,
61,
61,
61,
40,
40,
40,
40
] | 16 | 3 | [
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[
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0,
0.5
],
[
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0.5,
0
]
] | {
"a": 8.214057922363281,
"b": 8.214057922363281,
"c": 8.214057922363281,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2PmZr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403395 | [
"Na",
"Os",
"Ac"
] | [
11,
11,
11,
11,
89,
89,
89,
89,
89,
89,
89,
89,
76,
76,
76,
76
] | 16 | 3 | [
[
0,
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0
],
[
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],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.663718223571777,
"b": 7.663718223571777,
"c": 7.663718223571777,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaAc2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403407 | [
"Li",
"Nb",
"Ac"
] | [
3,
3,
3,
3,
89,
89,
89,
89,
89,
89,
89,
89,
41,
41,
41,
41
] | 16 | 3 | [
[
0,
0.5,
0
],
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],
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] | {
"a": 7.792275905609131,
"b": 7.792275905609131,
"c": 7.792275905609131,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiAc2Nb | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_403421 | [
"Mg",
"In",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
12,
12,
12,
12,
49,
49,
49,
49
] | 16 | 3 | [
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[
0.5,
0,
0
],
[
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0.5
]
] | {
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"c": 8.110868453979492,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ac2MgIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403437 | [
"La",
"Pr",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
89,
89,
57,
57,
57,
57,
59,
59,
59,
59
] | 16 | 3 | [
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[
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"alpha": 90,
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} | 225 | Ac2LaPr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403449 | [
"Nb",
"Sm",
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} | 225 | Ac2SmNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403462 | [
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} | 225 | LiAc2Te | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_403473 | [
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} | 225 | Ac2HoRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403488 | [
"Ag",
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73,
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} | 225 | Ac2TaAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403503 | [
"Ti",
"Er",
"Ac"
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68,
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"alpha": 90,
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} | 225 | Ac2ErTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403518 | [
"Tc",
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"Ac"
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89,
89,
89,
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43,
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"alpha": 90,
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} | 225 | Ac2TcSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403532 | [
"Zn",
"Ac",
"Pu"
] | [
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89,
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89,
94,
94,
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"alpha": 90,
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} | 225 | Ac2PuZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403549 | [
"Ag",
"Te",
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] | [
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89,
89,
89,
89,
47,
47,
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"alpha": 90,
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} | 225 | Ac2AgTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403565 | [
"Ga",
"Ac",
"U"
] | [
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89,
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89,
89,
89,
89,
92,
92,
92,
92,
31,
31,
31,
31
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"alpha": 90,
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} | 225 | Ac2UGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403582 | [
"Tb",
"Bi",
"Ac"
] | [
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89,
89,
89,
89,
65,
65,
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83,
83,
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"alpha": 90,
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} | 225 | Ac2TbBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403597 | [
"V",
"Ac",
"Pu"
] | [
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89,
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89,
89,
89,
89,
89,
94,
94,
94,
94,
23,
23,
23,
23
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"alpha": 90,
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} | 225 | Ac2PuV | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403610 | [
"Cr",
"Dy",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
66,
66,
66,
66,
24,
24,
24,
24
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"alpha": 90,
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} | 225 | Ac2DyCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403631 | [
"Mn",
"Hf",
"Ac"
] | [
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89,
89,
89,
89,
89,
72,
72,
72,
72,
25,
25,
25,
25
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"alpha": 90,
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} | 225 | Ac2HfMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403662 | [
"As",
"Dy",
"Ac"
] | [
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89,
89,
89,
89,
89,
66,
66,
66,
66,
33,
33,
33,
33
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"alpha": 90,
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} | 225 | Ac2DyAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_so7xeGk-h-Et-_2rYezvN_lX28KT | [
"As",
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89,
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89,
89,
89,
89,
89,
69,
69,
69,
69,
33,
33,
33,
33
] | 16 | 3 | [
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} | 225 | Ac2TmAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403693 | [
"Sb",
"Ac",
"Np"
] | [
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89,
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89,
89,
89,
89,
89,
93,
93,
93,
93,
51,
51,
51,
51
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2NpSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403710 | [
"Y",
"Ba",
"Ac"
] | [
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56,
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56,
89,
89,
89,
89,
89,
89,
89,
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39,
39,
39,
39
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} | 225 | BaAc2Y | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403725 | [
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89,
89,
89,
89,
89,
62,
62,
62,
62,
78,
78,
78,
78
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"alpha": 90,
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} | 225 | Ac2SmPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403739 | [
"Sn",
"Ac",
"Np"
] | [
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89,
89,
89,
89,
89,
89,
89,
93,
93,
93,
93,
50,
50,
50,
50
] | 16 | 3 | [
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} | 225 | Ac2NpSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403753 | [
"Hg",
"Ac",
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] | [
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89,
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89,
89,
89,
89,
89,
93,
93,
93,
93,
80,
80,
80,
80
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"alpha": 90,
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} | 225 | Ac2NpHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403766 | [
"Zr",
"Sm",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
62,
62,
62,
62,
40,
40,
40,
40
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"alpha": 90,
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} | 225 | Ac2SmZr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403782 | [
"K",
"V",
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] | [
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19,
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19,
89,
89,
89,
89,
89,
89,
89,
89,
23,
23,
23,
23
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] | {
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"alpha": 90,
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} | 225 | KAc2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403799 | [
"Rh",
"Ho",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
67,
67,
67,
67,
45,
45,
45,
45
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] | {
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"alpha": 90,
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} | 225 | Ac2HoRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403812 | [
"Cr",
"Yb",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
70,
70,
70,
70,
24,
24,
24,
24
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] | {
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"alpha": 90,
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} | 225 | Ac2YbCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403827 | [
"Na",
"Ac",
"Np"
] | [
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11,
11,
11,
89,
89,
89,
89,
89,
89,
89,
89,
93,
93,
93,
93
] | 16 | 3 | [
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} | 225 | NaAc2Np | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9NS066aKVc6VUtrvL1G0v1poWKeD | [
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] | [
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3,
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3,
89,
89,
89,
89,
89,
89,
89,
89,
24,
24,
24,
24
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"alpha": 90,
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} | 225 | LiAc2Cr | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_403854 | [
"Gd",
"Ac",
"Pa"
] | [
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89,
89,
89,
89,
89,
89,
89,
64,
64,
64,
64,
91,
91,
91,
91
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"alpha": 90,
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} | 225 | Ac2GdPa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403868 | [
"Ba",
"Ho",
"Ac"
] | [
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56,
56,
56,
89,
89,
89,
89,
89,
89,
89,
89,
67,
67,
67,
67
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] | {
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"alpha": 90,
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} | 225 | BaAc2Ho | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403884 | [
"K",
"Cu",
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] | [
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19,
19,
19,
89,
89,
89,
89,
89,
89,
89,
89,
29,
29,
29,
29
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | KAc2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403898 | [
"Mo",
"Ce",
"Ac"
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89,
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89,
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58,
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} | 225 | Ac2CeMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403909 | [
"Li",
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"Ac"
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} | 225 | LiAc2Ni | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_pYm5aQGe54yvwnmmN6sVXPOBpC_G | [
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} | 225 | Ac2CoSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_1-rFiQXnl8-iyqdASxoX2k7LDNsg | [
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89,
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76,
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76,
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"alpha": 90,
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} | 225 | Ac2OsRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403958 | [
"Mg",
"Au",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
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12,
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"alpha": 90,
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} | 225 | Ac2MgAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403972 | [
"In",
"Ce",
"Ac"
] | [
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89,
89,
89,
89,
89,
89,
89,
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58,
58,
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49,
49,
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] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2CeIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_403986 | [
"B",
"Sb",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
5,
5,
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51,
51,
51
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"alpha": 90,
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} | 225 | Ac2BSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404000 | [
"Ge",
"Zr",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
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40,
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32,
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"alpha": 90,
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} | 225 | Ac2ZrGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404011 | [
"Li",
"Eu",
"Ac"
] | [
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3,
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3,
89,
89,
89,
89,
89,
89,
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63,
63,
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"alpha": 90,
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} | 225 | LiAc2Eu | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_404027 | [
"Cu",
"Pr",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
59,
59,
59,
59,
29,
29,
29,
29
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2PrCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404041 | [
"V",
"Pd",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
23,
23,
23,
23,
46,
46,
46,
46
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2VPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404054 | [
"Ni",
"Nb",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
41,
41,
41,
41,
28,
28,
28,
28
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ac2NbNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404070 | [
"Ge",
"Ho",
"Ac"
] | [
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89,
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89,
89,
89,
89,
89,
67,
67,
67,
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32,
32,
32,
32
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"alpha": 90,
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} | 225 | Ac2HoGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404089 | [
"Na",
"Cu",
"Nb"
] | [
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11,
11,
11,
41,
41,
41,
41,
29,
29,
29,
29,
29,
29,
29,
29
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | NaNbCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_dgfpDxYtfj_Oapv5a_w8dlZJmUVH | [
"Al",
"Cu",
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] | [
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63,
63,
63,
13,
13,
13,
13,
29,
29,
29,
29,
29,
29,
29,
29
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuAlCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404122 | [
"Cu",
"Nd",
"Gd"
] | [
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60,
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60,
64,
64,
64,
64,
29,
29,
29,
29,
29,
29,
29,
29
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | NdGdCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404138 | [
"Cu",
"As",
"Th"
] | [
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90,
90,
90,
29,
29,
29,
29,
29,
29,
29,
29,
33,
33,
33,
33
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"alpha": 90,
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} | 225 | ThCu2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404157 | [
"Ti",
"Ni",
"Cu"
] | [
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22,
22,
22,
29,
29,
29,
29,
29,
29,
29,
29,
28,
28,
28,
28
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"alpha": 90,
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"gamma": 90
} | 225 | TiCu2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404173 | [
"Al",
"Cu",
"Rh"
] | [
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13,
13,
13,
29,
29,
29,
29,
29,
29,
29,
29,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | AlCu2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_w_m2GOou9kwG6ZmHGx2DB6OvB4pb | [
"Cu",
"Ce",
"Tm"
] | [
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58,
58,
58,
69,
69,
69,
69,
29,
29,
29,
29,
29,
29,
29,
29
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | CeTmCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404210 | [
"Co",
"Ni",
"Cu"
] | [
27,
27,
27,
27,
29,
29,
29,
29,
29,
29,
29,
29,
28,
28,
28,
28
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | CoCu2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404228 | [
"Cu",
"Ta",
"W"
] | [
73,
73,
73,
73,
29,
29,
29,
29,
29,
29,
29,
29,
74,
74,
74,
74
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | TaCu2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404247 | [
"Cu",
"Y",
"Nd"
] | [
60,
60,
60,
60,
39,
39,
39,
39,
29,
29,
29,
29,
29,
29,
29,
29
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | NdYCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404262 | [
"V",
"Cu",
"Pb"
] | [
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23,
23,
23,
29,
29,
29,
29,
29,
29,
29,
29,
82,
82,
82,
82
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] | {
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"alpha": 90,
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} | 225 | VCu2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404275 | [
"Be",
"B",
"Cu"
] | [
4,
4,
4,
4,
29,
29,
29,
29,
29,
29,
29,
29,
5,
5,
5,
5
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | BeCu2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Bko9u8eNVtU9p458P_2cBRbfZmZD | [
"Cu",
"As",
"Er"
] | [
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68,
68,
68,
29,
29,
29,
29,
29,
29,
29,
29,
33,
33,
33,
33
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] | {
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"alpha": 90,
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} | 225 | ErCu2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404304 | [
"Cu",
"Cd",
"Cs"
] | [
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55,
55,
55,
48,
48,
48,
48,
29,
29,
29,
29,
29,
29,
29,
29
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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} | 225 | CsCdCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404321 | [
"Cu",
"Sr",
"Zr"
] | [
38,
38,
38,
38,
40,
40,
40,
40,
29,
29,
29,
29,
29,
29,
29,
29
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | SrZrCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_0Q5hLsDYXxz35VZbDkfYeVeCoSpM | [
"B",
"Cu",
"Sn"
] | [
29,
29,
29,
29,
29,
29,
29,
29,
50,
50,
50,
50,
5,
5,
5,
5
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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} | 225 | Cu2SnB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404356 | [
"Cu",
"Pd",
"Re"
] | [
29,
29,
29,
29,
29,
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} | 225 | Cu2RePd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404368 | [
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} | 225 | Cu2NiTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404388 | [
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} | 225 | ZrCu2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404402 | [
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} | 225 | AcInCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404416 | [
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} | 225 | ErNpCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404447 | [
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tar:OQMD_404459 | [
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} | 225 | NbCu2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404478 | [
"Cu",
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} | 225 | DyGaCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_S0IV0rU-faJ0hLxNxOlntkRk8bCd | [
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} | 225 | ThGaCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_tq54PSx2Xw5FS6modnpdAD4rr3a8 | [
"Cu",
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29,
29,
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} | 225 | YbCu2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_GO1gFB_CUbGQP9jYz5uEKYLJg3qp | [
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29,
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} | 225 | PmNdCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404530 | [
"Cu",
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} | 225 | TmCu2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404543 | [
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} | 225 | TmScCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404561 | [
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} | 225 | AcPaCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404580 | [
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],
[
0.5,
0.5,
0
]
] | {
"a": 6.448214054107666,
"b": 6.448214054107666,
"c": 6.448214054107666,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TaCu2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_d86HO7S58CXKcw40FMQ5FArRP5x9 | [
"Cu",
"Te",
"Nd"
] | [
60,
60,
60,
60,
29,
29,
29,
29,
29,
29,
29,
29,
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,
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0.75
],
[
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],
[
0.75,
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0.75
],
[
0.25,
0.25,
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[
0.75,
0.25,
0.25
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[
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[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.874467372894287,
"b": 6.874467372894287,
"c": 6.874467372894287,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdCu2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404613 | [
"Mn",
"Cu",
"As"
] | [
25,
25,
25,
25,
29,
29,
29,
29,
29,
29,
29,
29,
33,
33,
33,
33
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
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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": 5.965179920196533,
"b": 5.965179920196533,
"c": 5.965179920196533,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MnCu2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404623 | [
"Cu",
"Ag",
"Re"
] | [
29,
29,
29,
29,
29,
29,
29,
29,
75,
75,
75,
75,
47,
47,
47,
47
] | 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": 6.009481906890869,
"b": 6.009481906890869,
"c": 6.009481906890869,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Cu2ReAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_vBuWm3dLoBAiub-yNGFQM3KcUMSe | [
"Cu",
"Eu",
"Tl"
] | [
63,
63,
63,
63,
81,
81,
81,
81,
29,
29,
29,
29,
29,
29,
29,
29
] | 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
],
[
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0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
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0.75
],
[
0.25,
0.75,
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],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
"a": 6.791051387786865,
"b": 6.791051387786865,
"c": 6.791051387786865,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuTlCu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404654 | [
"K",
"Cu",
"Ir"
] | [
19,
19,
19,
19,
29,
29,
29,
29,
29,
29,
29,
29,
77,
77,
77,
77
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.468977928161621,
"b": 6.468977928161621,
"c": 6.468977928161621,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KCu2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404675 | [
"Li",
"Cu",
"Sn"
] | [
3,
3,
3,
3,
29,
29,
29,
29,
29,
29,
29,
29,
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,
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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,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.156630039215088,
"b": 6.156630039215088,
"c": 6.156630039215088,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiCu2Sn | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_404687 | [
"Cu",
"La",
"Re"
] | [
57,
57,
57,
57,
29,
29,
29,
29,
29,
29,
29,
29,
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": 6.5607500076293945,
"b": 6.5607500076293945,
"c": 6.5607500076293945,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaCu2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404702 | [
"Cu",
"Pb",
"U"
] | [
92,
92,
92,
92,
29,
29,
29,
29,
29,
29,
29,
29,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.679840087890625,
"b": 6.679840087890625,
"c": 6.679840087890625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | UCu2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404718 | [
"Cu",
"Dy",
"Au"
] | [
66,
66,
66,
66,
29,
29,
29,
29,
29,
29,
29,
29,
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": 6.469883918762207,
"b": 6.469883918762207,
"c": 6.469883918762207,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | DyCu2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404733 | [
"Cu",
"Zn",
"As"
] | [
30,
30,
30,
30,
29,
29,
29,
29,
29,
29,
29,
29,
33,
33,
33,
33
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.108938217163086,
"b": 6.108938217163086,
"c": 6.108938217163086,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZnCu2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404748 | [
"Cu",
"Pd",
"Tl"
] | [
81,
81,
81,
81,
29,
29,
29,
29,
29,
29,
29,
29,
46,
46,
46,
46
] | 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": 6.23533821105957,
"b": 6.23533821105957,
"c": 6.23533821105957,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TlCu2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_404763 | [
"Cu",
"Te",
"Os"
] | [
29,
29,
29,
29,
29,
29,
29,
29,
52,
52,
52,
52,
76,
76,
76,
76
] | 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": 6.275402069091797,
"b": 6.275402069091797,
"c": 6.275402069091797,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Cu2TeOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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