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_CoGYZ5DA-Annk3pVeJSTFPkUWF0k | [
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} | 225 | Er2ZrTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_dw2UwhRw2Cm0C2Eqv5zt5h9Yyjcv | [
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} | 225 | NdYEr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_07cyD2v-JGdaroAi0PPj8J0YKQ86 | [
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} | 225 | RbEr2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_UoOtsIkYye8TD0Ei_oXjn_gBUIWH | [
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68,
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68,
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"alpha": 90,
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} | 225 | PmEuEr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437584 | [
"Ca",
"Sc",
"Er"
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20,
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20,
68,
68,
68,
68,
68,
68,
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"alpha": 90,
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} | 225 | CaEr2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437599 | [
"Cd",
"Cs",
"Er"
] | [
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55,
55,
55,
68,
68,
68,
68,
68,
68,
68,
68,
48,
48,
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"alpha": 90,
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} | 225 | CsEr2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_vftTQZ4-gu8Ql95ZrLa_IfE9uLKM | [
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64,
64,
64,
64,
68,
68,
68,
68,
68,
68,
68,
68
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"alpha": 90,
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} | 225 | BaGdEr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437629 | [
"B",
"Sn",
"Er"
] | [
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68,
68,
68,
68,
68,
68,
68,
50,
50,
50,
50,
5,
5,
5,
5
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Er2SnB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437641 | [
"Ba",
"Er",
"Th"
] | [
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56,
56,
56,
68,
68,
68,
68,
68,
68,
68,
68,
90,
90,
90,
90
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] | {
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"alpha": 90,
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} | 225 | BaEr2Th | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437659 | [
"Mo",
"Er",
"Re"
] | [
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68,
68,
68,
68,
68,
68,
68,
75,
75,
75,
75,
42,
42,
42,
42
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Er2ReMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437670 | [
"Gd",
"Er",
"Pb"
] | [
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64,
64,
64,
68,
68,
68,
68,
68,
68,
68,
68,
82,
82,
82,
82
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | GdEr2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_FIfHvwWRuUL17D3LaDf8qA9Pdjaj | [
"Ag",
"Eu",
"Er"
] | [
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63,
63,
63,
68,
68,
68,
68,
68,
68,
68,
68,
47,
47,
47,
47
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | EuEr2Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_bjC41IVVk8PHkQsJ0_RGLQPwqO2C | [
"In",
"Nd",
"Er"
] | [
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60,
60,
60,
68,
68,
68,
68,
68,
68,
68,
68,
49,
49,
49,
49
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | NdEr2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437723 | [
"Mo",
"La",
"Er"
] | [
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57,
57,
57,
68,
68,
68,
68,
68,
68,
68,
68,
42,
42,
42,
42
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | LaEr2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437739 | [
"Na",
"Ag",
"Er"
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11,
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11,
68,
68,
68,
68,
68,
68,
68,
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47,
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47
] | 16 | 3 | [
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} | 225 | NaEr2Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437756 | [
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} | 225 | PmEr2Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437774 | [
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tar:NOMAD_QqU4exxeaHxFy5wvUaEhL0McESYp | [
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} | 225 | Er2ZnFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437801 | [
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} | 225 | Er2ThRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437814 | [
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68,
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} | 225 | SrNdEr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437830 | [
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68,
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21
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tar:NOMAD_agy5Pz-AjVRmEeSeYrYPY9i66Imy | [
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68,
68,
68,
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} | 225 | YEr2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_1SCAcurpy3yLmETUZCX1A0sRd2ks | [
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68,
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68,
68,
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25,
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} | 225 | Er2MnCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_n2aXmJ31yU27huH6Ji0T_poGJs8J | [
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68,
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12,
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} | 225 | Er2MgAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437888 | [
"Zn",
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"Er"
] | [
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68,
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68,
68,
68,
68,
68,
30,
30,
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30,
32,
32,
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32
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} | 225 | Er2ZnGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_M2WlBjW8nzVCjViWLM7zDq7y7qru | [
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68,
68,
68,
68,
25,
25,
25,
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33,
33,
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} | 225 | Er2MnAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_McrAPYC8oaiNh9zhfYu6u1O99msP | [
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68,
68,
68,
68,
68,
68,
68,
68,
14,
14,
14,
14
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} | 225 | NaEr2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_437931 | [
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68,
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68,
68,
68,
68,
43,
43,
43,
43,
50,
50,
50,
50
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} | 225 | Er2TcSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_1Zbw8XEofqWRzBbBCvqG5ancPvm5 | [
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68,
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68,
68,
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68,
68,
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tar:OQMD_438081 | [
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tar:OQMD_438096 | [
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tar:NOMAD_7Dtb7X8Od3ajk5q2OqL9J_wvaCJY | [
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tar:OQMD_438153 | [
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tar:NOMAD_LaxjMBrG3vBNHEUXCHryIUNFqjpX | [
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tar:OQMD_438306 | [
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tar:OQMD_438328 | [
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tar:OQMD_438349 | [
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tar:NOMAD_8yWfMEiRiLP5BtUdCcGh1Kjz-fHf | [
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tar:OQMD_438389 | [
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tar:NOMAD_83VQfUcvsSyFHQzcM6tssaFgEgiA | [
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tar:OQMD_438423 | [
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tar:OQMD_438452 | [
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tar:OQMD_438466 | [
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tar:OQMD_438508 | [
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tar:OQMD_438520 | [
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tar:OQMD_438532 | [
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tar:OQMD_438542 | [
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tar:NOMAD_rgDXJnoNxRGNMAbSVj1EzKoWYacV | [
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tar:OQMD_438573 | [
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tar:NOMAD_L09vKgo7Ql0ldDutSlBlDPinDkcO | [
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tar:NOMAD_KUta7PCbYLJ3VfMB-wJPSikiyFOb | [
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} | 225 | PmEr2Zn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_438619 | [
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} | 225 | Er2RePt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_438633 | [
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} | 225 | Er2MnSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_438647 | [
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} | 225 | Er2ZrTa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_438662 | [
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68,
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tar:OQMD_438721 | [
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tar:OQMD_438736 | [
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tar:OQMD_438763 | [
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tar:OQMD_438799 | [
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tar:OQMD_438843 | [
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tar:OQMD_438870 | [
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tar:OQMD_438885 | [
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} | 225 | Er2LuU | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_438900 | [
"Sm",
"Er",
"Hf"
] | [
62,
62,
62,
62,
68,
68,
68,
68,
68,
68,
68,
68,
72,
72,
72,
72
] | 16 | 3 | [
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0
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[
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] | {
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"c": 7.714101791381836,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmEr2Hf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_438922 | [
"Sr",
"Er",
"Au"
] | [
38,
38,
38,
38,
68,
68,
68,
68,
68,
68,
68,
68,
79,
79,
79,
79
] | 16 | 3 | [
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[
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] | {
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"b": 7.5371599197387695,
"c": 7.5371599197387695,
"alpha": 90,
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"gamma": 90
} | 225 | SrEr2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_438936 | [
"K",
"Er",
"Yb"
] | [
19,
19,
19,
19,
70,
70,
70,
70,
68,
68,
68,
68,
68,
68,
68,
68
] | 16 | 3 | [
[
0,
0.5,
0
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[
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[
0.5,
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[
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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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0.25,
0.25
]
] | {
"a": 8.381221771240234,
"b": 8.381221771240234,
"c": 8.381221771240234,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KYbEr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4IURM9FDN46PQc07X0JDr6EqlYkJ | [
"Eu",
"Gd",
"Er"
] | [
63,
63,
63,
63,
64,
64,
64,
64,
68,
68,
68,
68,
68,
68,
68,
68
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
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[
0.5,
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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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[
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0.75
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[
0.25,
0.25,
0.25
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[
0.75,
0.25,
0.25
]
] | {
"a": 8.066651344299316,
"b": 8.066651344299316,
"c": 8.066651344299316,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuGdEr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Dn3THp4baShIb1BLaBbHg1pOFdGV | [
"V",
"Er",
"Hf"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
72,
72,
72,
72,
23,
23,
23,
23
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
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],
[
0.75,
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[
0.5,
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]
] | {
"a": 7.260387897491455,
"b": 7.260387897491455,
"c": 7.260387897491455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Er2HfV | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_magUj03GqEY5FBl4xOZTN_ANSSQb | [
"Er",
"Os",
"Pa"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
91,
91,
91,
91,
76,
76,
76,
76
] | 16 | 3 | [
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[
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[
0.5,
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[
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]
] | {
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"alpha": 90,
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} | 225 | Er2PaOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_QwZuRWwQbRO7W1Kp-POKhvwajtRl | [
"Mn",
"Er",
"Pt"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
25,
25,
25,
25,
78,
78,
78,
78
] | 16 | 3 | [
[
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0.25
],
[
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],
[
0.75,
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[
0.5,
0,
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[
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]
] | {
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"b": 6.9172282218933105,
"c": 6.9172282218933105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Er2MnPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439013 | [
"Te",
"Er",
"U"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
92,
92,
92,
92,
52,
52,
52,
52
] | 16 | 3 | [
[
0.25,
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],
[
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[
0.25,
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[
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],
[
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],
[
0.5,
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],
[
0.5,
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[
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.540433883666992,
"b": 7.540433883666992,
"c": 7.540433883666992,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Er2UTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439026 | [
"Y",
"Er",
"Ta"
] | [
39,
39,
39,
39,
68,
68,
68,
68,
68,
68,
68,
68,
73,
73,
73,
73
] | 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,
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],
[
0.25,
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0.25
],
[
0.25,
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],
[
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],
[
0.75,
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0.25
],
[
0.75,
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[
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],
[
0,
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.514050006866455,
"b": 7.514050006866455,
"c": 7.514050006866455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YEr2Ta | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439040 | [
"Ti",
"Sr",
"Er"
] | [
38,
38,
38,
38,
68,
68,
68,
68,
68,
68,
68,
68,
22,
22,
22,
22
] | 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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[
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[
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[
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],
[
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[
0,
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[
0,
0.5,
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.842770099639893,
"b": 7.842770099639893,
"c": 7.842770099639893,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrEr2Ti | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439056 | [
"Ca",
"Cs",
"Er"
] | [
55,
55,
55,
55,
20,
20,
20,
20,
68,
68,
68,
68,
68,
68,
68,
68
] | 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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[
0,
0.5,
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[
0.5,
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[
0.5,
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[
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],
[
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[
0.25,
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0.25
],
[
0.25,
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[
0.75,
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[
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0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 8.614272117614746,
"b": 8.614272117614746,
"c": 8.614272117614746,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsCaEr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_SoDJ-yY_nCXmsq4_WJBHYwceVUYk | [
"Mn",
"Tb",
"Er"
] | [
65,
65,
65,
65,
68,
68,
68,
68,
68,
68,
68,
68,
25,
25,
25,
25
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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0
],
[
0.25,
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],
[
0.25,
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[
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],
[
0.25,
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[
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[
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],
[
0.75,
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[
0.75,
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0.75
],
[
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.441025257110596,
"b": 7.441025257110596,
"c": 7.441025257110596,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbEr2Mn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_439087 | [
"Na",
"Er",
"Tl"
] | [
11,
11,
11,
11,
68,
68,
68,
68,
68,
68,
68,
68,
81,
81,
81,
81
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
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0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
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],
[
0.25,
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0.75
],
[
0.25,
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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[
0,
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],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.536049842834473,
"b": 7.536049842834473,
"c": 7.536049842834473,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaEr2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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