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:NOMAD_B9UCQYliBlF3D72i4VNNvRtuNGsx | [
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tar:NOMAD_eL5Fuy0Wz7S0RTRXLgPSs9OPdtlK | [
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} | 225 | TbLu2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475111 | [
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} | 225 | Lu2AgAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475123 | [
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} | 225 | DyLu2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475137 | [
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} | 225 | TmLu2Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475153 | [
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"alpha": 90,
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} | 225 | TmLu2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475169 | [
"Lu",
"Tl",
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} | 225 | Lu2UTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475185 | [
"Rb",
"Rh",
"Lu"
] | [
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"alpha": 90,
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} | 225 | RbLu2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_5xeqnILmq6HDbdJB06dj31AzHIYP | [
"Cd",
"Lu",
"Pu"
] | [
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71,
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"alpha": 90,
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} | 225 | Lu2PuCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_7lXEG680LpMqObEc0unjaxqiFLaD | [
"Ru",
"Lu",
"Pa"
] | [
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"alpha": 90,
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} | 225 | Lu2PaRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_jYXN_JgkzmD5IKSXWp7OjoxabwW1 | [
"Lu",
"Re",
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] | {
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"alpha": 90,
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} | 225 | Lu2ReAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_PRPRGj1N0AboBJ9xwSypjHB9z_5y | [
"Sn",
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"alpha": 90,
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} | 225 | PmLu2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475256 | [
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"Er",
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} | 225 | RbErLu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ryXLTKP9dTc5aEO_3XoYsbttUpuV | [
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"alpha": 90,
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} | 225 | Lu2MoAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475297 | [
"Zn",
"Rh",
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tar:OQMD_475431 | [
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tar:NOMAD_tFpxzGq9AULBquZAzQQM04Pw8rUQ | [
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tar:OQMD_475527 | [
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tar:OQMD_475560 | [
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tar:NOMAD_8ybT2vg_C-i0kZC27iKfoq4oCwRU | [
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tar:OQMD_475588 | [
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tar:OQMD_475603 | [
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tar:NOMAD_Ant6mwNq4NztXu4SHxYkor_xCNm5 | [
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tar:NOMAD_FxG6BrZzSoXR9hBY8ZBMudzmFTWW | [
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tar:OQMD_475663 | [
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tar:OQMD_475679 | [
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tar:NOMAD_x940D4B0qSdVAC3at6kv_PctgjXQ | [
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tar:OQMD_475705 | [
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tar:NOMAD_cWEsrN1pBvKGm_d6nL4ixH3Uvee3 | [
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tar:OQMD_475734 | [
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tar:NOMAD_u_BiPC4aSAyMd-PxKJwGt55HnoUK | [
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tar:OQMD_476112 | [
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tar:NOMAD_p_HQijhkmELBmg9bBVuNNWd0GmGy | [
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tar:OQMD_476142 | [
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tar:OQMD_476170 | [
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tar:OQMD_476181 | [
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tar:OQMD_476211 | [
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tar:OQMD_476249 | [
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tar:OQMD_476259 | [
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tar:NOMAD_gC2jHSW8dQbKkooFXxF9-derJ1O- | [
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tar:NOMAD_XVaO1hYVUz-fTIFWcDjypuHyd7AP | [
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tar:NOMAD_antyNf-7DlRfozM3Nqk2aNyYlVNu | [
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tar:OQMD_476309 | [
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tar:OQMD_476323 | [
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tar:NOMAD_Gb6FErSnPXCE17DkjxEviqG0OzVW | [
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tar:NOMAD_nJq4ki64RWiNggMQv8VT_dLeHM9P | [
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tar:OQMD_476373 | [
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tar:NOMAD_VlswlVZm6NfM77M6HQR3WkMyZDKC | [
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"c": 7.845783233642578,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcLu2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476402 | [
"Ge",
"Ag",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
47,
47,
47,
47,
32,
32,
32,
32
] | 16 | 3 | [
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] | {
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} | 225 | Lu2AgGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_MLPku3wrtFQW1SqyWrz03hEmXDuQ | [
"As",
"In",
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71,
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71,
71,
71,
71,
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49,
49,
49,
33,
33,
33,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Lu2InAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476433 | [
"Sb",
"Lu",
"Re"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
75,
75,
75,
75,
51,
51,
51,
51
] | 16 | 3 | [
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0.5,
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] | {
"a": 7.016362190246582,
"b": 7.016362190246582,
"c": 7.016362190246582,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Lu2ReSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476451 | [
"Be",
"As",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
4,
4,
4,
4,
33,
33,
33,
33
] | 16 | 3 | [
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[
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[
0.25,
0.25,
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[
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[
0.5,
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[
0,
0.5,
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[
0.5,
0,
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[
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0.5
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] | {
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"c": 6.844811916351318,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Lu2BeAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476460 | [
"Rb",
"Lu",
"W"
] | [
37,
37,
37,
37,
71,
71,
71,
71,
71,
71,
71,
71,
74,
74,
74,
74
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
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] | {
"a": 7.462793827056885,
"b": 7.462793827056885,
"c": 7.462793827056885,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbLu2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_hc9xDnAtq-z-P9mJzNFsUGJpKGOx | [
"As",
"Sn",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
50,
50,
50,
50,
33,
33,
33,
33
] | 16 | 3 | [
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[
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Lu2SnAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476489 | [
"Pr",
"Nd",
"Lu"
] | [
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59,
59,
59,
60,
60,
60,
60,
71,
71,
71,
71,
71,
71,
71,
71
] | 16 | 3 | [
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0
],
[
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] | {
"a": 8.0513277053833,
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"c": 8.0513277053833,
"alpha": 90,
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"gamma": 90
} | 225 | PrNdLu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476503 | [
"Zn",
"Rb",
"Lu"
] | [
37,
37,
37,
37,
71,
71,
71,
71,
71,
71,
71,
71,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
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0,
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],
[
0.5,
0,
0.5
],
[
0.5,
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]
] | {
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"b": 7.643082141876221,
"c": 7.643082141876221,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbLu2Zn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476515 | [
"Rb",
"Ru",
"Lu"
] | [
37,
37,
37,
37,
71,
71,
71,
71,
71,
71,
71,
71,
44,
44,
44,
44
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
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0.5
],
[
0.5,
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0.5
],
[
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[
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],
[
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[
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0,
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],
[
0.5,
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],
[
0.5,
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]
] | {
"a": 7.301633834838867,
"b": 7.301633834838867,
"c": 7.301633834838867,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbLu2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476528 | [
"Lu",
"Au",
"Pa"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
91,
91,
91,
91,
79,
79,
79,
79
] | 16 | 3 | [
[
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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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[
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[
0,
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[
0.5,
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],
[
0.5,
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]
] | {
"a": 7.256155967712402,
"b": 7.256155967712402,
"c": 7.256155967712402,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Lu2PaAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476547 | [
"Zn",
"Lu",
"U"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
92,
92,
92,
92,
30,
30,
30,
30
] | 16 | 3 | [
[
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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[
0,
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[
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[
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0,
0.5,
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],
[
0.5,
0,
0.5
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[
0.5,
0.5,
0
]
] | {
"a": 7.269130229949951,
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"c": 7.269130229949951,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Lu2UZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_476562 | [
"Lu",
"Np",
"Pu"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
94,
94,
94,
94,
93,
93,
93,
93
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
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],
[
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,
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0
],
[
0,
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[
0.5,
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],
[
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": 7.566773891448975,
"b": 7.566773891448975,
"c": 7.566773891448975,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Lu2PuNp | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_U8JkRGp4fc2AT6qzTSuR1XRfkD0b | [
"Eu",
"Lu",
"Pb"
] | [
63,
63,
63,
63,
71,
71,
71,
71,
71,
71,
71,
71,
82,
82,
82,
82
] | 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
],
[
0.25,
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0.25
],
[
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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[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.682784080505371,
"b": 7.682784080505371,
"c": 7.682784080505371,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuLu2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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