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_470464 | [
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tar:OQMD_470480 | [
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tar:OQMD_470497 | [
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tar:OQMD_470519 | [
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tar:OQMD_470536 | [
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tar:NOMAD_YrIxFvYfnTERFBIco4fstDmhXqaF | [
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} | 225 | K2CeZr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_470562 | [
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tar:NOMAD_-wfmn9EfaOiMRo0hZmVGElsPKaFG | [
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} | 225 | K2TaIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_i1nWBk3_c0p7_jXFdW_8NmttiacS | [
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} | 225 | CsK2Lu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_470604 | [
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} | 225 | K2PaFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_V5eftNe2B906Up-94TWKo--X8aB3 | [
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tar:NOMAD_HOpM97MDDch9sHZgzs55raqZrKZl | [
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} | 225 | K2NpMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_470657 | [
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} | 225 | K2GaCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_470672 | [
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} | 225 | K2MgSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_NjddcCTJOmmtncMTbvGCL5kZpac7 | [
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tar:OQMD_470709 | [
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tar:OQMD_470728 | [
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tar:OQMD_470745 | [
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tar:OQMD_470763 | [
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tar:OQMD_470783 | [
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tar:OQMD_470797 | [
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tar:NOMAD_2FpItC7baYyYc9DEDrwRB8f-PdJQ | [
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tar:OQMD_470827 | [
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tar:NOMAD_RMTunBDodFxtuKgqk0-yQzKM34Zq | [
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tar:OQMD_470862 | [
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} | 225 | K2LiNb | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_470875 | [
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19,
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} | 225 | K2BeFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_470892 | [
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13,
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tar:OQMD_470911 | [
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65,
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tar:NOMAD_T6NOxaDcSEgDQN9S5bJbctnJz1NS | [
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tar:OQMD_470998 | [
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tar:OQMD_471030 | [
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tar:OQMD_471041 | [
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tar:NOMAD_54Dh1YG6HuOfpjrVzzFn7cQyz6ws | [
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tar:NOMAD_S-3X26KKE6wGr5tUY0BW7dx2HgKc | [
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tar:NOMAD_5qYwMBy2VG1_HGP5DRiJ4hFUYdh8 | [
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tar:OQMD_471097 | [
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tar:OQMD_471161 | [
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tar:OQMD_471181 | [
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tar:OQMD_471197 | [
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tar:OQMD_471211 | [
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tar:OQMD_471227 | [
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tar:OQMD_471243 | [
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tar:OQMD_471258 | [
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tar:OQMD_471273 | [
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tar:OQMD_471283 | [
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tar:OQMD_471300 | [
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tar:NOMAD_bTsDXhZ0EoYnM20l2AaXS0NhAT7P | [
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tar:OQMD_471325 | [
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tar:OQMD_471343 | [
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tar:NOMAD_1f2od8bhSgZ045yqN92wNYpdqxUA | [
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tar:NOMAD_zcHGJkWkMxUVy5rm2el5aU43C2VZ | [
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tar:OQMD_471387 | [
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tar:OQMD_471403 | [
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tar:OQMD_471417 | [
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tar:NOMAD_KS2K7-2x5LDCQGv6J2MkpDIWqPQH | [
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tar:NOMAD_4bNY7wYV2FOfSf-3sS_8Zs9biVzh | [
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tar:NOMAD_g-XMrwKu6XAqZhvDmcNtKYsJ-4ff | [
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tar:OQMD_471471 | [
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tar:OQMD_471490 | [
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tar:OQMD_471505 | [
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tar:OQMD_471517 | [
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tar:OQMD_471532 | [
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} | 225 | K2PmHf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471545 | [
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tar:OQMD_471560 | [
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} | 225 | SmMn2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471576 | [
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tar:OQMD_471589 | [
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tar:OQMD_471606 | [
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tar:OQMD_471638 | [
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tar:OQMD_471655 | [
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tar:NOMAD_SJZns2kO3opBA2LLBrJ-gQ1NdG5e | [
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} | 225 | NdMn2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471684 | [
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tar:OQMD_471701 | [
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} | 225 | NdYMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471716 | [
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tar:OQMD_471733 | [
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tar:NOMAD_lpzc1HFMHZ-PV3ODei9hZ-liY4iE | [
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tar:OQMD_471766 | [
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} | 225 | PaMn2Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471777 | [
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} | 225 | Mn2CrRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_I2O3kBRCAta2TFcWk-TMSgN17VAp | [
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} | 225 | LiAcMn2 | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_471811 | [
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25,
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74,
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0.5,
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[
0.5,
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0
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] | {
"a": 6.729286193847656,
"b": 6.729286193847656,
"c": 6.729286193847656,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsMn2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471822 | [
"Mn",
"Mo",
"Re"
] | [
25,
25,
25,
25,
25,
25,
25,
25,
75,
75,
75,
75,
42,
42,
42,
42
] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | Mn2ReMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471838 | [
"Mn",
"As",
"Os"
] | [
25,
25,
25,
25,
25,
25,
25,
25,
33,
33,
33,
33,
76,
76,
76,
76
] | 16 | 3 | [
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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
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] | {
"a": 5.87328577041626,
"b": 5.87328577041626,
"c": 5.87328577041626,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Mn2AsOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_5Tiy_zVrDlw8oatcdddpLi5Jy8WW | [
"Mn",
"Zr",
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] | [
40,
40,
40,
40,
25,
25,
25,
25,
25,
25,
25,
25,
50,
50,
50,
50
] | 16 | 3 | [
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0.5,
0
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0.5,
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] | {
"a": 6.324258327484131,
"b": 6.324258327484131,
"c": 6.324258327484131,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrMn2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471867 | [
"Ti",
"Mn",
"Yb"
] | [
70,
70,
70,
70,
22,
22,
22,
22,
25,
25,
25,
25,
25,
25,
25,
25
] | 16 | 3 | [
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0,
0,
0
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0,
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[
0.5,
0,
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[
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[
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] | {
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"b": 6.369063854217529,
"c": 6.369063854217529,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbTiMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471877 | [
"Al",
"Mn",
"Au"
] | [
25,
25,
25,
25,
25,
25,
25,
25,
13,
13,
13,
13,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"c": 6.161049842834473,
"alpha": 90,
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} | 225 | Mn2AlAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471890 | [
"Al",
"Mn",
"U"
] | [
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92,
92,
92,
25,
25,
25,
25,
25,
25,
25,
25,
13,
13,
13,
13
] | 16 | 3 | [
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[
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] | {
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"b": 6.155799865722656,
"c": 6.155799865722656,
"alpha": 90,
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} | 225 | UMn2Al | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_1IES642zvDldgWh0sEm2fTG_a9fh | [
"Mn",
"Nd",
"Yb"
] | [
70,
70,
70,
70,
60,
60,
60,
60,
25,
25,
25,
25,
25,
25,
25,
25
] | 16 | 3 | [
[
0,
0,
0
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[
0,
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[
0.5,
0,
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0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 7.102659702301025,
"b": 7.102659702301025,
"c": 7.102659702301025,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbNdMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD__yp8XmuFm8C-Cb1VWi3B0pRrqCHB | [
"K",
"Mn",
"Tm"
] | [
19,
19,
19,
19,
69,
69,
69,
69,
25,
25,
25,
25,
25,
25,
25,
25
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
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],
[
0,
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0
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[
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0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
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"b": 7.2956719398498535,
"c": 7.2956719398498535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KTmMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_IGz-jy5sXAXyHwxY-fZQJkFN4rSv | [
"K",
"Mn",
"Gd"
] | [
19,
19,
19,
19,
64,
64,
64,
64,
25,
25,
25,
25,
25,
25,
25,
25
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
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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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0.25,
0.25
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[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 7.375389099121094,
"b": 7.375389099121094,
"c": 7.375389099121094,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KGdMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471957 | [
"Mn",
"Cd",
"Ba"
] | [
56,
56,
56,
56,
25,
25,
25,
25,
25,
25,
25,
25,
48,
48,
48,
48
] | 16 | 3 | [
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0,
0.5,
0
],
[
0,
0,
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[
0.5,
0.5,
0.5
],
[
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[
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[
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[
0.5,
0,
0.5
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[
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]
] | {
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"c": 7.1849799156188965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaMn2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_471972 | [
"Mn",
"La",
"Hg"
] | [
57,
57,
57,
57,
25,
25,
25,
25,
25,
25,
25,
25,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
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0.75
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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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0.25
],
[
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0.25,
0.75
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[
0.75,
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0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.829627990722656,
"b": 6.829627990722656,
"c": 6.829627990722656,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaMn2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_wkQ1nf__bdnMlfEc8A52etSXYUBJ | [
"Mn",
"Nb",
"Pb"
] | [
25,
25,
25,
25,
25,
25,
25,
25,
41,
41,
41,
41,
82,
82,
82,
82
] | 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,
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0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.247873783111572,
"b": 6.247873783111572,
"c": 6.247873783111572,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Mn2NbPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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