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_zWy3RrG4b08CqBgCQfjGBd3G9GSF | [
"Sc",
"Cd",
"Er"
] | [
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68,
68,
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68,
68,
68,
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21,
21,
21,
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48,
48,
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] | 16 | 3 | [
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] | {
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"b": 7.421541213989258,
"c": 7.421541213989258,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Er2ScCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439117 | [
"Ca",
"Fe",
"Er"
] | [
20,
20,
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68,
68,
68,
68,
68,
68,
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26,
26,
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] | 16 | 3 | [
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] | {
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"b": 7.201873779296875,
"c": 7.201873779296875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaEr2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439134 | [
"Ce",
"Er",
"Au"
] | [
58,
58,
58,
58,
68,
68,
68,
68,
68,
68,
68,
68,
79,
79,
79,
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] | 16 | 3 | [
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] | {
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"b": 7.411787986755371,
"c": 7.411787986755371,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeEr2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_vWhUDH3eF-0VlRJHtG_gO_4sMVSq | [
"Pr",
"Er",
"Pb"
] | [
59,
59,
59,
59,
68,
68,
68,
68,
68,
68,
68,
68,
82,
82,
82,
82
] | 16 | 3 | [
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] | {
"a": 7.710859775543213,
"b": 7.710859775543213,
"c": 7.710859775543213,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrEr2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439166 | [
"K",
"Ge",
"Er"
] | [
19,
19,
19,
19,
68,
68,
68,
68,
68,
68,
68,
68,
32,
32,
32,
32
] | 16 | 3 | [
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] | {
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"b": 7.494490146636963,
"c": 7.494490146636963,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KEr2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439182 | [
"Y",
"Nb",
"Er"
] | [
39,
39,
39,
39,
68,
68,
68,
68,
68,
68,
68,
68,
41,
41,
41,
41
] | 16 | 3 | [
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] | {
"a": 7.527822017669678,
"b": 7.527822017669678,
"c": 7.527822017669678,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YEr2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439201 | [
"Mn",
"Ce",
"Er"
] | [
58,
58,
58,
58,
68,
68,
68,
68,
68,
68,
68,
68,
25,
25,
25,
25
] | 16 | 3 | [
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] | {
"a": 7.318079948425293,
"b": 7.318079948425293,
"c": 7.318079948425293,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeEr2Mn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rL1cp3jm3C7XUBbFzEiDUxy9fomM | [
"Si",
"Cu",
"Er"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
29,
29,
29,
29,
14,
14,
14,
14
] | 16 | 3 | [
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] | {
"a": 6.8642897605896,
"b": 6.8642897605896,
"c": 6.8642897605896,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Er2CuSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439231 | [
"Co",
"Tc",
"Er"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
27,
27,
27,
27,
43,
43,
43,
43
] | 16 | 3 | [
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] | {
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"b": 6.701404094696045,
"c": 6.701404094696045,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Er2CoTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_SNJe33HuAaT5SK93ulYbXkmwm0Oc | [
"Ag",
"Er",
"Th"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
90,
90,
90,
90,
47,
47,
47,
47
] | 16 | 3 | [
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] | {
"a": 7.530388832092285,
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"c": 7.530388832092285,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Er2ThAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439262 | [
"Sr",
"Cd",
"Er"
] | [
38,
38,
38,
38,
68,
68,
68,
68,
68,
68,
68,
68,
48,
48,
48,
48
] | 16 | 3 | [
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] | {
"a": 7.806807994842529,
"b": 7.806807994842529,
"c": 7.806807994842529,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrEr2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439277 | [
"Si",
"Er",
"Pt"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
14,
14,
14,
14,
78,
78,
78,
78
] | 16 | 3 | [
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[
0.5,
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],
[
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]
] | {
"a": 6.973899841308594,
"b": 6.973899841308594,
"c": 6.973899841308594,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Er2SiPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rA7bCYnZ_eboI4tqjUssPQJKAkdU | [
"Nb",
"Sm",
"Er"
] | [
62,
62,
62,
62,
68,
68,
68,
68,
68,
68,
68,
68,
41,
41,
41,
41
] | 16 | 3 | [
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] | {
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"c": 7.516744136810303,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmEr2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439307 | [
"Nb",
"Cs",
"Er"
] | [
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55,
55,
55,
68,
68,
68,
68,
68,
68,
68,
68,
41,
41,
41,
41
] | 16 | 3 | [
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] | {
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"c": 7.847750186920166,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsEr2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439325 | [
"Co",
"Er",
"Au"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
27,
27,
27,
27,
79,
79,
79,
79
] | 16 | 3 | [
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],
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tar:OQMD_439396 | [
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tar:OQMD_439426 | [
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tar:NOMAD_E4vreHihY8ngMyT004m_TOFCWLdm | [
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tar:OQMD_439471 | [
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tar:NOMAD_cWZJuk44MIeDvHtaFO6QwZ6urOpw | [
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tar:NOMAD__n_JwUMgU6Vs5oDIZMQJ0DdXeQTe | [
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tar:NOMAD_iWgBWJzlKAMjwCmzsMhhco56IOVB | [
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tar:NOMAD_M3sEoKILEcDlqNUBKdgpPnqLoQ6E | [
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tar:OQMD_439564 | [
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tar:NOMAD_QDmWfG0xgz-qG3mC3Y4n728ewfku | [
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tar:OQMD_439595 | [
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tar:NOMAD_aFywtnzD3pkrN-ePSnUgQkw1el54 | [
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tar:NOMAD_TafUdlcxjXi3cCg6mVbSAEOgziv5 | [
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tar:OQMD_439642 | [
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tar:OQMD_439656 | [
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} | 225 | Er2FePt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439671 | [
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tar:OQMD_439682 | [
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} | 225 | Er2SiNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439696 | [
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} | 225 | Er2InIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_fpgxJ2yVi-QZWeikYL42LtfP5IZV | [
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} | 225 | EuEr2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439733 | [
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} | 225 | KAcEr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_fPekkcHSAm1jI4GWI3jnh8WznJfo | [
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} | 225 | CeEuEr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439763 | [
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} | 225 | BaU2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_i6BzpnRWxSljgPO7Gtes_RHQTW5t | [
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51,
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76,
76,
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} | 225 | U2SbOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440032 | [
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} | 225 | SrU2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_mNSvYoNa01Z6bGvs2cY-TRw38KeQ | [
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92,
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} | 225 | AcU2Al | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440070 | [
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92,
92,
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73,
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82,
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} | 225 | U2TaPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_PLmic2eIOWeRLttt5ldBsftWF2Ya | [
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92,
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92,
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92,
92,
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14,
14,
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} | 225 | KU2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440111 | [
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92,
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} | 225 | CeU2Be | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_EFx4OLV_cVtHbCdNy-inmQ1oERi6 | [
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} | 225 | CaU2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440153 | [
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92,
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92,
92,
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} | 225 | NpU2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440180 | [
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92,
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92,
92,
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41,
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} | 225 | PuU2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_-evKNLf7FvsYIo9cTvPOEciYyl8o | [
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92,
92,
92,
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} | 225 | BaU2Mn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440220 | [
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92,
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4,
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} | 225 | U2BeZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440241 | [
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92,
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} | 225 | ZrU2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_c9ptNTyLWnf_5S78FXIoOuq7l_u0 | [
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92,
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92,
92,
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} | 225 | CaU2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440280 | [
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92,
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92,
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} | 225 | PmU2Pa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Yyxop9aLvAOwfbpmHnI739HohHyv | [
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tar:OQMD_440532 | [
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tar:OQMD_440553 | [
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tar:OQMD_440579 | [
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tar:NOMAD_kDOR7LjGg7iyd72EsiqV4H20cAUC | [
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tar:NOMAD_n0dAGu-z3PUtJAVXtkYDkCWeBiSj | [
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} | 225 | CsU2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440658 | [
"Na",
"Ho",
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} | 225 | NaHoU2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD__B1aK1ez7bjPFoAZ9B2xr83nRhs5 | [
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} | 225 | PmLuU2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_h7cRhZxG738JiWS6MP_m2kdAhOjZ | [
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tar:NOMAD_vYTPLNcJlEm6vpCLHTfm6yaCJDyR | [
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tar:NOMAD_oNrCLxBpo-O2TRExwVQ3xzE0wZIr | [
"Ca",
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} | 225 | CaU2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440751 | [
"Sn",
"W",
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92,
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92,
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} | 225 | U2SnW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440765 | [
"Ca",
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92,
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} | 225 | CaU2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_440784 | [
"Co",
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92,
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} | 225 | CsU2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD__OjdoFMNb0FgF2WF6vQVx4sRyA3J | [
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93,
92,
92,
92,
92,
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] | {
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} | 225 | SmNpU2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_5HHa91YSbzGvCpGWmGlb1AfzGDa_ | [
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39,
92,
92,
92,
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92,
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92,
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} | 225 | KYU2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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