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_1711708 | [
"O",
"Gd",
"Re",
"Pb"
] | [
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdRe(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1709113 | [
"O",
"Sr",
"Mo",
"Yb"
] | [
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38,
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8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
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] | 40 | 4 | [
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[
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[
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... | {
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"c": 8.215813636779785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr2YbMoO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722003 | [
"O",
"Lu",
"Pb",
"Bi"
] | [
71,
71,
71,
71,
83,
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83,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
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[
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[
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... | {
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"c": 8.410305976867676,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuBi(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721463 | [
"O",
"Sr",
"Sb",
"Nd"
] | [
38,
38,
60,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
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],
[
0.8036... | {
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"alpha": 119.54888153076172,
"beta": 119.52217864990234,
"gamma": 90.01837921142578
} | 2 | Sr2NdSbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721476 | [
"O",
"Ag",
"Sb",
"Ir"
] | [
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47,
51,
77,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
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[
0.84189... | {
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"alpha": 101.6110610961914,
"beta": 104.1131362915039,
"gamma": 103.65940856933594
} | 2 | Ag2SbIrO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1712872 | [
"O",
"Ba",
"Tm",
"Ta"
] | [
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56,
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69,
69,
73,
73,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 4 | [
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[
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[
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... | {
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"b": 5.934017181396484,
"c": 5.961215972900391,
"alpha": 90,
"beta": 125.45816802978516,
"gamma": 90
} | 12 | Ba2TmTaO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721484 | [
"O",
"Cd",
"Sb",
"Ir"
] | [
48,
48,
51,
77,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
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[
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[
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],
[
0.857636... | {
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"alpha": 105.54338073730469,
"beta": 101.8607406616211,
"gamma": 101.34603118896484
} | 2 | Cd2SbIrO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721487 | [
"O",
"Sb",
"Dy",
"Hg"
] | [
66,
80,
80,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
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[
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],
[
0.8445... | {
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"alpha": 98.876708984375,
"beta": 110.01457977294922,
"gamma": 101.0659408569336
} | 2 | DyHg2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721490 | [
"O",
"Sb",
"Er",
"Hg"
] | [
68,
80,
80,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
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0
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[
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],
[
0.847... | {
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"alpha": 99.42094421386719,
"beta": 110.54765319824219,
"gamma": 101.0069351196289
} | 2 | ErHg2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721495 | [
"O",
"Sb",
"Gd",
"Hg"
] | [
64,
80,
80,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
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[
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],
[
0.8443... | {
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"alpha": 98.99593353271484,
"beta": 110.38727569580078,
"gamma": 100.89786529541016
} | 2 | GdHg2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721496 | [
"O",
"Sb",
"Ir",
"Hg"
] | [
80,
80,
51,
77,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
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],
[
0.83913... | {
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"alpha": 102.3533706665039,
"beta": 104.45043182373047,
"gamma": 103.61409759521484
} | 2 | Hg2SbIrO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721502 | [
"O",
"Sb",
"Lu",
"Hg"
] | [
71,
80,
80,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
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0
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],
[
0.8486... | {
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"alpha": 99.19956970214844,
"beta": 110.41136169433594,
"gamma": 101.18155670166016
} | 2 | LuHg2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721505 | [
"O",
"Ag",
"Sb",
"Nd"
] | [
60,
47,
47,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
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[
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],
[
0.96... | {
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"alpha": 101.50555419921875,
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"gamma": 110.4093246459961
} | 2 | NdAg2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721508 | [
"O",
"Sb",
"Nd",
"Dy"
] | [
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66,
66,
66,
66,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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] | 20 | 4 | [
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... | {
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"c": 6.056732177734375,
"alpha": 90,
"beta": 120.97454071044922,
"gamma": 90
} | 12 | NdDy2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721514 | [
"O",
"Sb",
"Nd",
"Tm"
] | [
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60,
69,
69,
69,
69,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 4 | [
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... | {
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"c": 5.980172634124756,
"alpha": 90,
"beta": 120.54399108886719,
"gamma": 90
} | 12 | NdTm2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721523 | [
"O",
"Sn",
"Sb",
"Pr"
] | [
59,
50,
50,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
0,
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0
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[
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[
0.2503... | {
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"alpha": 96.0243911743164,
"beta": 88.8896713256836,
"gamma": 103.91829681396484
} | 2 | PrSn2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721530 | [
"O",
"Mo",
"Sm",
"Tm"
] | [
62,
62,
69,
42,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
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[
0.77127617597579... | {
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"alpha": 104.68806457519531,
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"gamma": 90.96359252929688
} | 2 | Sm2TmMoO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721534 | [
"O",
"Ru",
"Sm",
"Tm"
] | [
62,
62,
69,
44,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
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],
[
0.9901... | {
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"alpha": 103.21432495117188,
"beta": 104.67838287353516,
"gamma": 92.72183990478516
} | 2 | Sm2TmRuO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721543 | [
"O",
"Sb",
"Sm",
"Hg"
] | [
62,
80,
80,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
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],
[
0.84663... | {
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"alpha": 100.50577545166016,
"beta": 111.30552673339844,
"gamma": 100.27497100830078
} | 2 | SmHg2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721551 | [
"O",
"Mo",
"Ag",
"Tm"
] | [
69,
47,
47,
42,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
0,
0,
0
],
[
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[
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],
[
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],
[
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[
0.848... | {
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"c": 5.673789024353027,
"alpha": 99.82195281982422,
"beta": 108.4643783569336,
"gamma": 102.80223846435547
} | 2 | TmAg2MoO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721556 | [
"O",
"Mo",
"Cd",
"Tm"
] | [
69,
48,
48,
42,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
0,
0,
0
],
[
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],
[
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[
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[
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[
0.849... | {
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"c": 5.725921630859375,
"alpha": 95.62025451660156,
"beta": 108.2418441772461,
"gamma": 103.338623046875
} | 2 | TmCd2MoO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721566 | [
"O",
"Ru",
"Tm",
"Hg"
] | [
69,
80,
80,
44,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
0,
0,
0
],
[
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[
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[
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[
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],
[
0.85... | {
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"c": 5.979923725128174,
"alpha": 97.8346939086914,
"beta": 109.538818359375,
"gamma": 103.26464080810547
} | 2 | TmHg2RuO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721573 | [
"O",
"Y",
"Ag",
"Sb"
] | [
39,
47,
47,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
0,
0,
0
],
[
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],
[
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[
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],
[
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[
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"c": 5.558912754058838,
"alpha": 102.01874542236328,
"beta": 100.5726089477539,
"gamma": 108.21208190917969
} | 2 | YAg2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721582 | [
"O",
"Zr",
"Sb",
"Hg"
] | [
40,
80,
80,
51,
8,
8,
8,
8,
8,
8
] | 10 | 4 | [
[
0,
0,
0
],
[
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[
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[
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[
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],
[
0.838... | {
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"alpha": 101.38861083984375,
"beta": 106.68356323242188,
"gamma": 102.20862579345703
} | 2 | ZrHg2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721605 | [
"O",
"Ru",
"In",
"Pb"
] | [
49,
49,
49,
49,
44,
44,
44,
44,
82,
82,
82,
82,
82,
82,
82,
82,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
[
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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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[
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"c": 8.136592864990234,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | InRu(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721660 | [
"O",
"Sr",
"Te",
"La"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
57,
57,
57,
57,
52,
52,
52,
52,
8,
8,
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8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
[
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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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],
[
0.75,
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],
[
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... | {
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"c": 8.647144317626953,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr2LaTeO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721676 | [
"O",
"Sc",
"Eu",
"Ir"
] | [
63,
63,
63,
63,
63,
63,
63,
63,
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21,
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77,
77,
77,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
[
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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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],
[
0.75,
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[
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... | {
"a": 7.885852813720703,
"b": 7.885852813720703,
"c": 7.885852813720703,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Eu2ScIrO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721692 | [
"O",
"Nd",
"Ta",
"Ir"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
73,
73,
73,
73,
77,
77,
77,
77,
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8,
8,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
[
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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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... | {
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"c": 8.026061058044434,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2TaIrO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721712 | [
"O",
"Sc",
"V",
"Ag"
] | [
21,
21,
21,
21,
23,
23,
23,
23,
47,
47,
47,
47,
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47,
47,
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8,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
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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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],
[
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... | {
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"b": 7.8206682205200195,
"c": 7.8206682205200195,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScV(AgO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721728 | [
"O",
"Nb",
"Sm",
"Ta"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
73,
73,
73,
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41,
41,
41,
41,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
[
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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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[
0.75,
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[
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... | {
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"c": 8.058734893798828,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2TaNbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721752 | [
"O",
"Fe",
"Ta",
"Hg"
] | [
73,
73,
73,
73,
26,
26,
26,
26,
80,
80,
80,
80,
80,
80,
80,
80,
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8,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
[
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],
[
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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[
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[
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... | {
"a": 7.8780517578125,
"b": 7.8780517578125,
"c": 7.8780517578125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TaFe(HgO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721767 | [
"O",
"Nb",
"Cd",
"Ta"
] | [
73,
73,
73,
73,
41,
41,
41,
41,
48,
48,
48,
48,
48,
48,
48,
48,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
[
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],
[
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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[
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[
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... | {
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"c": 8.03253173828125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TaNbCd2O6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721780 | [
"O",
"Y",
"Ag",
"Ta"
] | [
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39,
39,
39,
73,
73,
73,
73,
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47,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
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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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[
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... | {
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"c": 8.327749252319336,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YTa(AgO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721807 | [
"O",
"Si",
"Nd",
"Pt"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
14,
14,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
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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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"c": 7.75527286529541,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2SiPtO6 | general_inorganic | false | null | null | null | null | null | [
"oxide",
"silicate"
] | external_cif_tar |
tar:OQMD_1721822 | [
"Cl",
"Cs",
"Pr",
"Tl"
] | [
55,
55,
55,
55,
55,
55,
55,
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17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 40 | 4 | [
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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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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Cs2PrTlCl6 | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_1721833 | [
"Cl",
"Cs",
"Tm",
"Tl"
] | [
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55,
55,
55,
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17,
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17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 40 | 4 | [
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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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"c": 11.32081127166748,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Cs2TmTlCl6 | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_1721874 | [
"O",
"Mg",
"Ru",
"Cd"
] | [
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12,
12,
12,
48,
48,
48,
48,
48,
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} | 225 | MgCd2RuO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721886 | [
"O",
"Mg",
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} | 225 | MgHg2SeO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721913 | [
"O",
"Ti",
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} | 148 | TiAg2TeO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721918 | [
"O",
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} | 148 | VAg2TeO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721924 | [
"O",
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} | 225 | YbCr(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721937 | [
"O",
"V",
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} | 225 | YbV2TeO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721964 | [
"O",
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} | 148 | Sr2NdTaO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1721969 | [
"O",
"V",
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} | 225 | SmV(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_1721990 | [
"O",
"V",
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} | 225 | HoV(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722006 | [
"O",
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} | 225 | Sr2LuBrO6 | general_inorganic | false | null | null | null | null | null | [
"oxide",
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] | external_cif_tar |
tar:OQMD_1722024 | [
"O",
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} | 148 | SrRe(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_1722025 | [
"O",
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} | 225 | Ba2AgClO6 | general_inorganic | false | null | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_1722038 | [
"H",
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"Sc",
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} | 225 | Na2ScAgH6 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_1722070 | [
"O",
"Ga",
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"W"
] | [
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} | 225 | Sm2GaWO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722084 | [
"O",
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"alpha": 90,
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} | 225 | Sm2TaMoO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722103 | [
"O",
"As",
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] | 40 | 4 | [
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"alpha": 90,
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} | 225 | Sm2YAsO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722120 | [
"O",
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[
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[
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... | {
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"c": 8.644888877868652,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeSc2BiO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722134 | [
"O",
"Mn",
"Sb",
"Dy"
] | [
66,
66,
66,
66,
25,
25,
25,
25,
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51,
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8,
8,
8,
8,
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8,
8,
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] | 40 | 4 | [
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"alpha": 90,
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"gamma": 90
} | 225 | DyMn2SbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722147 | [
"O",
"Mn",
"Nb",
"Er"
] | [
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68,
68,
68,
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] | 40 | 4 | [
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"alpha": 90,
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} | 225 | ErMn2NbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722156 | [
"O",
"Pd",
"Lu",
"Bi"
] | [
71,
71,
71,
71,
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] | 40 | 4 | [
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"alpha": 90,
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} | 225 | LuBi(PdO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722173 | [
"O",
"Ru",
"Pr",
"Bi"
] | [
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] | 40 | 4 | [
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[
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"c": 8.605164527893066,
"alpha": 90,
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} | 225 | PrBi(RuO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722192 | [
"O",
"Mn",
"Ce",
"Sm"
] | [
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62,
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8,
8,
8,
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] | 40 | 4 | [
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"alpha": 90,
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} | 225 | CeSm2MnO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722213 | [
"O",
"Ni",
"Zr",
"Sm"
] | [
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62,
62,
62,
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8,
8,
8,
8,
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] | 40 | 4 | [
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[
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[
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... | {
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"alpha": 90,
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} | 225 | Sm2ZrNiO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722231 | [
"O",
"Sr",
"Re",
"Pt"
] | [
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38,
38,
38,
38,
38,
38,
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8,
8,
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8,
8,
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] | 40 | 4 | [
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[
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[
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... | {
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"c": 8.057150840759277,
"alpha": 90,
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"gamma": 90
} | 225 | Sr2RePtO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722251 | [
"O",
"Ce",
"Re",
"Ir"
] | [
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8,
8,
8,
8,
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8,
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] | 40 | 4 | [
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[
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[
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... | {
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"c": 8.011704444885254,
"alpha": 90,
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"gamma": 90
} | 225 | Ce2ReIrO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722267 | [
"O",
"Mn",
"Gd",
"Re"
] | [
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64,
64,
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64,
64,
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8,
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] | 40 | 4 | [
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[
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[
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... | {
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"c": 7.934389114379883,
"alpha": 90,
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} | 225 | Gd2MnReO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722279 | [
"O",
"Al",
"Nd",
"Re"
] | [
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60,
60,
60,
60,
60,
60,
60,
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13,
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8,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
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] | 40 | 4 | [
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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 | Nd2AlReO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722292 | [
"O",
"Ni",
"Pr",
"Re"
] | [
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59,
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59,
59,
59,
59,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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] | 40 | 4 | [
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[
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... | {
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"alpha": 90,
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} | 225 | Pr2ReNiO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722310 | [
"O",
"Rh",
"Re",
"Tl"
] | [
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81,
81,
81,
81,
81,
81,
81,
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8,
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8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
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] | 40 | 4 | [
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[
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[
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... | {
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"c": 7.959521770477295,
"alpha": 90,
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} | 225 | Tl2ReRhO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722326 | [
"O",
"Ti",
"Nb",
"Sm"
] | [
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62,
62,
62,
62,
62,
62,
62,
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8,
8,
8,
8,
8,
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] | 40 | 4 | [
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[
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[
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... | {
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"c": 7.931622505187988,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2TiNbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722343 | [
"O",
"Ni",
"Sm",
"Os"
] | [
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62,
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8,
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8,
8,
8,
8,
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] | 40 | 4 | [
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[
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[
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[
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... | {
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"c": 7.780496597290039,
"alpha": 90,
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"gamma": 90
} | 225 | Sm2NiOsO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722364 | [
"O",
"Cu",
"Re",
"Hg"
] | [
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29,
29,
29,
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8,
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8,
8,
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8,
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] | 40 | 4 | [
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[
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[
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... | {
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"alpha": 90,
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} | 225 | CuRe(HgO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722383 | [
"O",
"Ni",
"Re",
"Hg"
] | [
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] | 40 | 4 | [
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[
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[
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[
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[
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"c": 7.831940174102783,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ReNi(HgO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722394 | [
"O",
"Ag",
"Tm",
"Re"
] | [
69,
69,
69,
69,
75,
75,
75,
75,
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47,
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8,
8,
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8,
8,
8,
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] | 40 | 4 | [
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"alpha": 90,
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} | 225 | TmRe(AgO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722408 | [
"Na",
"Cl",
"Nd",
"Tl"
] | [
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11,
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] | 40 | 4 | [
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"alpha": 90,
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} | 225 | NaNd(TlCl3)2 | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_1722425 | [
"B",
"Na",
"Cl",
"K"
] | [
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19,
19,
19,
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19,
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17,
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17,
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] | 40 | 4 | [
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[
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[
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... | {
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"c": 9.821533203125,
"alpha": 90,
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"gamma": 90
} | 225 | K2NaBCl6 | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_1722446 | [
"O",
"W",
"Hg"
] | [
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80,
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80,
80,
80,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | [
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[
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[
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"alpha": 90,
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} | 225 | Hg3WO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722464 | [
"O",
"Zn",
"Cd",
"W"
] | [
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] | 40 | 4 | [
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"alpha": 90,
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} | 225 | ZnCd2WO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722482 | [
"F",
"Rb",
"Eu",
"Tl"
] | [
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37,
37,
37,
37,
37,
37,
37,
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9,
9,
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9,
9,
9,
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] | 40 | 4 | [
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[
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[
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[
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[
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... | {
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"alpha": 90,
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} | 225 | Rb2EuTlF6 | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_1722502 | [
"O",
"Rh",
"Yb",
"Pb"
] | [
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70,
70,
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45,
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8,
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8,
8,
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] | 40 | 4 | [
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"alpha": 90,
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} | 225 | YbRh(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722525 | [
"O",
"Sm",
"Er",
"Re"
] | [
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62,
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62,
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8,
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] | 40 | 4 | [
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[
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... | {
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"alpha": 90,
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} | 225 | Sm2ErReO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722543 | [
"O",
"Br",
"Sr",
"Ho"
] | [
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8,
8,
8,
8,
8,
8,
8,
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] | 40 | 4 | [
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[
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... | {
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"alpha": 90,
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"gamma": 90
} | 225 | Sr2HoBrO6 | general_inorganic | false | null | null | null | null | null | [
"oxide",
"halide"
] | external_cif_tar |
tar:OQMD_1722578 | [
"O",
"Ag",
"Eu",
"W"
] | [
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8,
8,
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8,
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] | 40 | 4 | [
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[
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... | {
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"alpha": 90,
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} | 225 | Eu2AgWO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722600 | [
"O",
"Mo",
"Ag",
"Eu"
] | [
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63,
63,
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63,
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63,
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8,
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] | 40 | 4 | [
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[
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[
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[
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... | {
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"alpha": 90,
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} | 225 | Eu2AgMoO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722617 | [
"O",
"S",
"Sr",
"Ag"
] | [
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38,
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] | 40 | 4 | [
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[
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[
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[
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... | {
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"alpha": 90,
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} | 225 | Sr2AgSO6 | general_inorganic | false | null | null | null | null | null | [
"oxide",
"sulfide"
] | external_cif_tar |
tar:OQMD_1722634 | [
"O",
"S",
"Zn",
"Sm"
] | [
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] | 40 | 4 | [
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[
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[
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... | {
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"alpha": 90,
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} | 225 | Sm2ZnSO6 | general_inorganic | false | null | null | null | null | null | [
"oxide",
"sulfide"
] | external_cif_tar |
tar:OQMD_1722658 | [
"O",
"As",
"Eu",
"Pb"
] | [
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"alpha": 90,
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} | 225 | EuAs(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722678 | [
"O",
"Er",
"W",
"Pb"
] | [
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68,
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82,
82,
82,
74,
74,
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8,
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8,
8,
8,
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] | 20 | 4 | [
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[
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"alpha": 90,
"beta": 125.30867767333984,
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} | 12 | ErPb2WO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722679 | [
"O",
"Rh",
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] | [
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0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 8.199117660522461,
"b": 8.199117660522461,
"c": 8.199117660522461,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ErRh(PbO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722695 | [
"O",
"S",
"Ba",
"Dy"
] | [
56,
56,
56,
56,
56,
56,
56,
56,
66,
66,
66,
66,
16,
16,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | [
[
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,
... | {
"a": 8.14880084991455,
"b": 8.14880084991455,
"c": 8.14880084991455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ba2DySO6 | general_inorganic | false | null | null | null | null | null | [
"oxide",
"sulfide"
] | external_cif_tar |
tar:OQMD_1722781 | [
"K",
"I",
"Nd"
] | [
19,
60,
53,
53,
53
] | 5 | 3 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0,
0
],
[
0,
0.5,
0
]
] | {
"a": 6.23295259475708,
"b": 6.23295259475708,
"c": 6.23295259475708,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | KNdI3 | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_1722796 | [
"O",
"Al",
"Ge",
"Sn"
] | [
13,
13,
13,
13,
13,
13,
50,
50,
50,
32,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0,
0,
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[
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[
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[
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],
[
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... | {
"a": 5.09703254699707,
"b": 5.09703254699707,
"c": 16.100543975830078,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | Al2SnGeO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722813 | [
"B",
"O",
"Cr",
"Hf"
] | [
72,
72,
72,
24,
24,
24,
5,
5,
5,
5,
5,
5,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
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[
1,
0,
0.5
],
[
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[
0,
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0
],
[
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[
0.33333334... | {
"a": 4.787055969238281,
"b": 4.787055969238281,
"c": 15.167403221130371,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | HfCr(BO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722827 | [
"O",
"Al",
"Cr",
"Mn"
] | [
25,
25,
25,
13,
13,
13,
13,
13,
13,
24,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0,
0,
0
],
[
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],
[
0.3333333432674408,
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],
[
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0,
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],
[
0.6666666865348816,
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],
... | {
"a": 4.917819499969482,
"b": 4.917819499969482,
"c": 14.392067909240723,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | MnAl2CrO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722845 | [
"B",
"O",
"Ge",
"Ta"
] | [
73,
73,
73,
32,
32,
32,
5,
5,
5,
5,
5,
5,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
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[
1,
0,
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],
[
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[
0,
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0
],
[
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],
[
0.33333334... | {
"a": 4.87590217590332,
"b": 4.87590217590332,
"c": 15.5993070602417,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | TaGe(BO3)2 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722862 | [
"B",
"O",
"Te",
"Pb"
] | [
5,
5,
5,
5,
5,
5,
52,
52,
52,
82,
82,
82,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0,
0,
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],
[
0.6666666865348816,
0.3333333432674408,
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[
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],
[
0.3333333432674408,
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],
[
0.3333333432674408,
... | {
"a": 5.114351749420166,
"b": 5.114351749420166,
"c": 16.541120529174805,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | B2TePbO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722878 | [
"O",
"Al",
"Ba",
"Tb"
] | [
56,
56,
56,
65,
65,
65,
13,
13,
13,
13,
13,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0,
0,
0
],
[
0.6666666865348816,
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],
[
0.3333333432674408,
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],
[
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],
[
1,
0,
0.5
],
[
0.66666668... | {
"a": 5.514634132385254,
"b": 5.514634132385254,
"c": 16.149534225463867,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | BaTbAl2O6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722893 | [
"O",
"Mg",
"Fe",
"Gd"
] | [
64,
64,
64,
64,
64,
64,
12,
12,
12,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0.3333333432674408,
0.6666666865348816,
0.9100289344787598
],
[
0.3333333432674408,
0.6666666865348816,
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],
[
0,
0,
0.24336226284503937
],
[
0,
0,
0.7566377520561218
],
[
0.6666666865348816,
0.3333333432674408,
0.576695... | {
"a": 5.490238189697266,
"b": 5.490238189697266,
"c": 12.88190746307373,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | Gd2MgFeO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722909 | [
"O",
"Mg",
"Ti",
"Gd"
] | [
64,
64,
64,
64,
64,
64,
12,
12,
12,
22,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0.3333333432674408,
0.6666666865348816,
0.9154503345489502
],
[
0.3333333432674408,
0.6666666865348816,
0.4178830087184906
],
[
0,
0,
0.2487836629152298
],
[
0,
0,
0.7512163519859314
],
[
0.6666666865348816,
0.3333333432674408,
0.58211702... | {
"a": 5.495145797729492,
"b": 5.495145797729492,
"c": 13.047569274902344,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | Gd2MgTiO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722943 | [
"O",
"Nb",
"Cd",
"La"
] | [
57,
57,
57,
57,
57,
57,
41,
41,
41,
48,
48,
48,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0.3333333432674408,
0.6666666865348816,
0.9080080986022949
],
[
0.3333333432674408,
0.6666666865348816,
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],
[
0,
0,
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],
[
0,
0,
0.7586585283279419
],
[
0.6666666865348816,
0.3333333432674408,
0.57467478... | {
"a": 5.985132217407227,
"b": 5.985132217407227,
"c": 13.464391708374023,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | La2NbCdO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722963 | [
"O",
"Ni",
"La",
"Yb"
] | [
57,
57,
57,
57,
57,
57,
70,
70,
70,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0.3333333432674408,
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],
[
0.3333333432674408,
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],
[
0,
0,
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],
[
0,
0,
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],
[
0.6666666865348816,
0.3333333432674408,
0.57902669... | {
"a": 5.660881996154785,
"b": 5.660881996154785,
"c": 13.24675464630127,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | La2YbNiO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1722983 | [
"O",
"Mg",
"Ti",
"Tl"
] | [
12,
12,
12,
22,
22,
22,
81,
81,
81,
81,
81,
81,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0.3333333432674408,
0.6666666865348816,
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],
[
1,
0,
0.5
],
[
0.6666666865348816,
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],
[
0,
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],
[
0.6666666865348816,
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],
[
0.33333334... | {
"a": 5.461305618286133,
"b": 5.461305618286133,
"c": 13.520360946655273,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | MgTiTl2O6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1723000 | [
"O",
"Mg",
"V",
"Tl"
] | [
12,
12,
12,
81,
81,
81,
81,
81,
81,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0.3333333432674408,
0.6666666865348816,
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],
[
1,
0,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
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],
[
0,
0,
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],
[
0.6666666865348816,
0.3333333432674408,
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],... | {
"a": 5.4491753578186035,
"b": 5.4491753578186035,
"c": 13.392419815063477,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | MgTl2VO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_1723016 | [
"O",
"Mg",
"Pr",
"Gd"
] | [
59,
59,
59,
64,
64,
64,
64,
64,
64,
12,
12,
12,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | [
[
0,
0,
0
],
[
0.6666666865348816,
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],
[
0.3333333432674408,
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],
[
0.3333333432674408,
0.6666666865348816,
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],
[
0.3333333432674408,
0.666666686534881... | {
"a": 5.9287285804748535,
"b": 5.9287285804748535,
"c": 13.97470760345459,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 148 | PrGd2MgO6 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
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