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_360119 | [
"O",
"Hf",
"Au"
] | [
72,
72,
79,
79,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
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[
0.5,
0.5,
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[
0,
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],
[
0,
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],
[
0.5,
0,
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],
[
0.5,
0,
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],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.6025750637054443,
"b": 3.6025750637054443,
"c": 8.21464729309082,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Hf2Au2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359463 | [
"O",
"Pd",
"Os"
] | [
76,
76,
46,
46,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
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[
0,
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[
0,
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0.8797476291656494
],
[
0.5,
0,
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],
[
0.5,
0,
0.8797476291656494
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.287400960922241,
"b": 3.287400960922241,
"c": 9.711992263793945,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Os2Pd2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357187 | [
"O",
"Dy",
"Re"
] | [
66,
66,
75,
75,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.17559118568897247
],
[
0.5,
0.5,
0.8244088292121887
],
[
0,
0.5,
0.24247309565544128
],
[
0,
0.5,
0.7575269341468811
],
[
0.5,
0,
0.24247309565544128
],
[
0.5,
0,
0.7575269341468811
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.976516008377075,
"b": 3.976516008377075,
"c": 6.73530387878418,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Dy2Re2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357339 | [
"O",
"Ir",
"Au"
] | [
77,
77,
79,
79,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.2837488651275635
],
[
0.5,
0.5,
0.7162511348724365
],
[
0,
0.5,
0.1156914085149765
],
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0,
0.5,
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],
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],
[
0.5,
0,
0.8843085765838623
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.3145699501037598,
"b": 3.3145699501037598,
"c": 10.163070678710938,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ir2Au2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357220 | [
"O",
"Pd",
"Hg"
] | [
80,
80,
46,
46,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0.2766703963279724
],
[
0.5,
0.5,
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],
[
0,
0,
0
],
[
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],
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],
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],
[
0.5,
0,
0.8797592520713806
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4911160469055176,
"b": 3.4911160469055176,
"c": 9.838927268981934,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Hg2Pd2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357594 | [
"O",
"Os",
"Tl"
] | [
81,
81,
76,
76,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0.268600195646286
],
[
0.5,
0.5,
0.7313997745513916
],
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0.11168806999921799
],
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0,
0.5,
0.8883119225502014
],
[
0.5,
0,
0.11168806999921799
],
[
0.5,
0,
0.8883119225502014
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4270119667053223,
"b": 3.4270119667053223,
"c": 10.152113914489746,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Tl2Os2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357254 | [
"O",
"U",
"Pu"
] | [
94,
94,
92,
92,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0.2142714262008667
],
[
0,
0,
0.7857285737991333
],
[
0.5,
0.5,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25537824630737305
],
[
0,
0.5,
0.744621753692627
],
[
0.5,
0,
0.25537824630737305
],
[
0.5,
0,
0.744621753692627
],
[
0,
0,
0.5
]
] | {
"a": 4.503213882446289,
"b": 4.503213882446289,
"c": 7.47831916809082,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Pu2U2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357272 | [
"O",
"Sr",
"Sm"
] | [
38,
38,
62,
62,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0.23272234201431274
],
[
0.5,
0.5,
0.7672776579856873
],
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0.15323227643966675
],
[
0,
0.5,
0.8467677235603333
],
[
0.5,
0,
0.15323227643966675
],
[
0.5,
0,
0.8467677235603333
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.304829120635986,
"b": 4.304829120635986,
"c": 8.660577774047852,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Sr2Sm2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357287 | [
"O",
"Sc",
"Ho"
] | [
67,
67,
21,
21,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.22695140540599823
],
[
0.5,
0.5,
0.7730485796928406
],
[
0,
0.5,
0.2311795949935913
],
[
0,
0.5,
0.7688204050064087
],
[
0.5,
0,
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],
[
0.5,
0,
0.7688204050064087
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.021205902099609,
"b": 4.021205902099609,
"c": 7.26314115524292,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ho2Sc2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_356527 | [
"O",
"Na",
"Gd"
] | [
11,
11,
64,
64,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0.1902700811624527
],
[
0.5,
0.5,
0.8097299337387085
],
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0.21826720237731934
],
[
0,
0.5,
0.7817327976226807
],
[
0.5,
0,
0.21826720237731934
],
[
0.5,
0,
0.7817327976226807
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.054261207580566,
"b": 4.054261207580566,
"c": 6.632466793060303,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Na2Gd2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357328 | [
"O",
"Nb",
"Ce"
] | [
58,
58,
41,
41,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.1983104646205902
],
[
0.5,
0.5,
0.8016895055770874
],
[
0,
0.5,
0.24346217513084412
],
[
0,
0.5,
0.7565378546714783
],
[
0.5,
0,
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],
[
0.5,
0,
0.7565378546714783
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.117035865783691,
"b": 4.117035865783691,
"c": 7.170271873474121,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ce2Nb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357262 | [
"O",
"Gd",
"Re"
] | [
64,
64,
75,
75,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.17523111402988434
],
[
0.5,
0.5,
0.8247689008712769
],
[
0,
0.5,
0.24013781547546387
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0,
0.5,
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],
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],
[
0.5,
0,
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],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.9890050888061523,
"b": 3.9890050888061523,
"c": 6.7797322273254395,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Gd2Re2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357354 | [
"O",
"Ru",
"Pt"
] | [
44,
44,
78,
78,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.16015467047691345
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[
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],
[
0.5,
0,
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],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4052670001983643,
"b": 3.4052670001983643,
"c": 8.160985946655273,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ru2Pt2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357370 | [
"O",
"K",
"Cd"
] | [
19,
19,
48,
48,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0.18237605690956116
],
[
0.5,
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0.8176239132881165
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0
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[
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],
[
0.5,
0,
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],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.4505391120910645,
"b": 4.4505391120910645,
"c": 6.990390777587891,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | K2Cd2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357385 | [
"O",
"Cr",
"Sr"
] | [
38,
38,
38,
38,
24,
24,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 18 | 3 | [
[
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0,
0.5688871145248413
],
[
0.6224797368049622,
0,
0.10612908750772476
],
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0.05620997026562691
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],
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],
[
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0.2861073315143585,
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],
[
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],
[
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],
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],
[
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],
[
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0.21389266848564148,
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],
[
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0.20806032419204712,
0.7900089621543884
],
[
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0.7919396758079529,
0.7900089621543884
],
[
0.1971290558576584,
0.5,
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]
] | {
"a": 7.609053134918213,
"b": 6.19650411605835,
"c": 5.573896408081055,
"alpha": 90,
"beta": 96.90792846679688,
"gamma": 90
} | 8 | Sr2Cr2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358006 | [
"Li",
"O",
"Pb"
] | [
3,
3,
82,
82,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
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[
0.5,
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[
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[
0.5,
0,
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],
[
0.5,
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0.5
]
] | {
"a": 3.6455740928649902,
"b": 3.6455740928649902,
"c": 7.742065906524658,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Li2Pb2O5 | electrolyte_relevant | true | 2 | null | null | null | null | [
"li",
"oxide",
"electrolyte_candidate"
] | external_cif_tar |
tar:OQMD_357788 | [
"O",
"Y",
"Ag"
] | [
39,
39,
47,
47,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
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0.5
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[
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[
0.5,
0,
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],
[
0.5,
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0.5
]
] | {
"a": 4.102676868438721,
"b": 4.102676868438721,
"c": 7.005590915679932,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Y2Ag2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357887 | [
"B",
"O",
"Gd"
] | [
64,
64,
5,
5,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0
],
[
0.5,
0.5,
0.5
],
[
0,
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],
[
0,
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],
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[
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],
[
0.5,
0,
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],
[
0,
0,
0.5
]
] | {
"a": 3.5259931087493896,
"b": 3.5259931087493896,
"c": 6.754986763000488,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Gd2B2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357435 | [
"O",
"Y",
"Bi"
] | [
39,
39,
83,
83,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0
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[
0.5,
0.5,
0.5
],
[
0,
0,
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[
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] | {
"a": 4.3185038566589355,
"b": 4.3185038566589355,
"c": 7.517483234405518,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Y2Bi2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357453 | [
"O",
"Si",
"Sr"
] | [
38,
38,
14,
14,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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0
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[
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[
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0.5,
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[
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] | {
"a": 3.709928035736084,
"b": 3.709928035736084,
"c": 7.263105869293213,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Sr2Si2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide",
"silicate"
] | external_cif_tar |
tar:OQMD_356642 | [
"O",
"Tc",
"Au"
] | [
43,
43,
79,
79,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
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0
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[
0.5,
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[
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0.5,
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] | {
"a": 3.3034720420837402,
"b": 3.3034720420837402,
"c": 10.282045364379883,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Tc2Au2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_356524 | [
"O",
"Ag",
"Ir"
] | [
47,
47,
77,
77,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
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[
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[
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] | {
"a": 3.290839910507202,
"b": 3.290839910507202,
"c": 10.202978134155273,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ag2Ir2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357519 | [
"O",
"Ti",
"Pr"
] | [
59,
59,
22,
22,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
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[
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0.5
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[
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[
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] | {
"a": 3.954569101333618,
"b": 3.954569101333618,
"c": 7.289336204528809,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Pr2Ti2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357484 | [
"O",
"Pm",
"Tl"
] | [
61,
61,
81,
81,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
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[
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0.5
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[
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[
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] | {
"a": 4.340686798095703,
"b": 4.340686798095703,
"c": 7.136534214019775,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Pm2Tl2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359021 | [
"O",
"Tc",
"Dy"
] | [
66,
66,
43,
43,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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0
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[
0,
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[
0.5,
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[
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] | {
"a": 3.9637339115142822,
"b": 3.9637339115142822,
"c": 6.732243061065674,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Dy2Tc2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357921 | [
"O",
"Cs",
"Ba"
] | [
55,
55,
56,
56,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
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[
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[
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] | {
"a": 4.702910900115967,
"b": 4.702910900115967,
"c": 8.449078559875488,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Cs2Ba2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357615 | [
"O",
"Eu",
"Np"
] | [
63,
63,
93,
93,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
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[
0,
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0.5
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[
0.5,
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[
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] | {
"a": 4.438619136810303,
"b": 4.438619136810303,
"c": 7.656349182128906,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Eu2Np2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357627 | [
"O",
"Os",
"Pa"
] | [
91,
91,
76,
76,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0
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[
0.5,
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0.5,
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] | {
"a": 3.9524619579315186,
"b": 3.9524619579315186,
"c": 7.19076681137085,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Pa2Os2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357658 | [
"O",
"Re",
"Pu"
] | [
94,
94,
75,
75,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0.2701408267021179
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] | {
"a": 3.5046329498291016,
"b": 3.5046329498291016,
"c": 9.980313301086426,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Pu2Re2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357676 | [
"O",
"Sn",
"La"
] | [
57,
57,
50,
50,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
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[
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0.5
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[
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] | {
"a": 4.324751853942871,
"b": 4.324751853942871,
"c": 7.269992828369141,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | La2Sn2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357690 | [
"O",
"Te",
"Pa"
] | [
91,
91,
52,
52,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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0
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[
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0.5
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[
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[
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] | {
"a": 4.205152988433838,
"b": 4.205152988433838,
"c": 7.542323112487793,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Pa2Te2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357699 | [
"O",
"Sn",
"Pm"
] | [
61,
61,
50,
50,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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[
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[
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[
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] | {
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"b": 4.279219150543213,
"c": 7.037757873535156,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Pm2Sn2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357728 | [
"O",
"Sb",
"Hg"
] | [
80,
80,
51,
51,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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] | {
"a": 3.61011004447937,
"b": 3.61011004447937,
"c": 10.103334426879883,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Hg2Sb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357757 | [
"O",
"Sc",
"Lu"
] | [
71,
71,
21,
21,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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0
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[
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[
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] | {
"a": 4.011812210083008,
"b": 4.011812210083008,
"c": 7.218625068664551,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Lu2Sc2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357416 | [
"O",
"La",
"Bi"
] | [
57,
57,
83,
83,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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[
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] | {
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"b": 4.449063777923584,
"c": 7.523289203643799,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | La2Bi2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_356659 | [
"O",
"Mn",
"Tc"
] | [
25,
25,
43,
43,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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[
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[
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] | {
"a": 3.924921989440918,
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"c": 6.588862895965576,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Mn2Tc2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357845 | [
"O",
"Rb",
"Ta"
] | [
37,
37,
73,
73,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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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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"c": 8.499236106872559,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Rb2Ta2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359984 | [
"O",
"Ga",
"Tm"
] | [
69,
69,
31,
31,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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[
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[
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] | {
"a": 3.8621909618377686,
"b": 3.8621909618377686,
"c": 6.703229904174805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Tm2Ga2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357884 | [
"O",
"Pd",
"La"
] | [
57,
57,
46,
46,
8,
8,
8,
8,
8
] | 9 | 3 | [
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"c": 7.106847763061523,
"alpha": 90,
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} | 123 | La2Pd2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_356150 | [
"Li",
"O",
"Cs"
] | [
55,
55,
3,
3,
8,
8,
8,
8,
8
] | 9 | 3 | [
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"c": 10.260777473449707,
"alpha": 90,
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} | 123 | Cs2Li2O5 | electrolyte_relevant | true | 2 | null | null | null | null | [
"li",
"oxide",
"electrolyte_candidate"
] | external_cif_tar |
tar:OQMD_357514 | [
"O",
"As",
"Ce"
] | [
58,
58,
33,
33,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 7.148364067077637,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ce2As2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_360099 | [
"O",
"Al",
"Tl"
] | [
13,
13,
81,
81,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 7.581665992736816,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Al2Tl2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357959 | [
"O",
"Fe",
"Cs"
] | [
55,
55,
26,
26,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 9.48205280303955,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Cs2Fe2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357974 | [
"O",
"In",
"Th"
] | [
90,
90,
49,
49,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 9.0560884475708,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Th2In2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358780 | [
"O",
"Cd",
"Pb"
] | [
48,
48,
82,
82,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 8.556846618652344,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Cd2Pb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358040 | [
"Li",
"O",
"Ta"
] | [
3,
3,
73,
73,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
"a": 3.5702250003814697,
"b": 3.5702250003814697,
"c": 6.096499919891357,
"alpha": 90,
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"gamma": 90
} | 123 | Li2Ta2O5 | electrolyte_relevant | true | 2 | null | null | null | null | [
"li",
"oxide",
"electrolyte_candidate"
] | external_cif_tar |
tar:OQMD_355667 | [
"O",
"Pd",
"Dy"
] | [
66,
66,
46,
46,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 6.889181137084961,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Dy2Pd2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357101 | [
"O",
"Al",
"Ir"
] | [
13,
13,
77,
77,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 7.683969020843506,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Al2Ir2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_356906 | [
"O",
"Mg",
"Ba"
] | [
56,
56,
12,
12,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 8.466090202331543,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ba2Mg2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358114 | [
"O",
"Sb",
"Gd"
] | [
64,
64,
51,
51,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 8.062772750854492,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Gd2Sb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358132 | [
"Be",
"O"
] | [
4,
4,
4,
4,
8,
8,
8,
8,
8
] | 9 | 2 | [
[
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] | {
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"c": 6.730259895324707,
"alpha": 90,
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"gamma": 90
} | 123 | Be4O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358149 | [
"O",
"Sc",
"Np"
] | [
93,
93,
21,
21,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
"a": 4.061214923858643,
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"c": 7.566971778869629,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Np2Sc2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358167 | [
"O",
"La",
"Hg"
] | [
57,
57,
80,
80,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
"a": 4.340915203094482,
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"c": 7.339231967926025,
"alpha": 90,
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"gamma": 90
} | 123 | La2Hg2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_355539 | [
"O",
"Rb",
"Tm"
] | [
37,
37,
69,
69,
8,
8,
8,
8,
8
] | 9 | 3 | [
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"c": 9.3506441116333,
"alpha": 90,
"beta": 90,
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} | 123 | Rb2Tm2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358203 | [
"O",
"Ru",
"U"
] | [
92,
92,
44,
44,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
"a": 3.9508910179138184,
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"alpha": 90,
"beta": 90,
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} | 123 | U2Ru2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_356495 | [
"O",
"Zr",
"W"
] | [
40,
40,
74,
74,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"alpha": 90,
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} | 123 | Zr2W2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_360354 | [
"O",
"Dy",
"W"
] | [
66,
66,
74,
74,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"alpha": 90,
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} | 123 | Dy2W2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358261 | [
"O",
"Rb",
"Ag"
] | [
37,
37,
47,
47,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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[
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[
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] | {
"a": 4.01102876663208,
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"c": 9.158320426940918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Rb2Ag2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358278 | [
"O",
"Zr",
"Hf"
] | [
72,
72,
40,
40,
8,
8,
8,
8,
8
] | 9 | 3 | [
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"c": 7.080453872680664,
"alpha": 90,
"beta": 90,
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} | 123 | Hf2Zr2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_360450 | [
"O",
"Sr",
"Rh"
] | [
38,
38,
45,
45,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 7.666750907897949,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Sr2Rh2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358842 | [
"O",
"Rb",
"Nd"
] | [
37,
37,
60,
60,
8,
8,
8,
8,
8
] | 9 | 3 | [
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"c": 7.914421081542969,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Rb2Nd2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358329 | [
"O",
"Al",
"Sr"
] | [
38,
38,
13,
13,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 7.651831150054932,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Sr2Al2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_355711 | [
"Be",
"O",
"Ga"
] | [
4,
4,
31,
31,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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] | {
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"c": 6.729475975036621,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Be2Ga2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358372 | [
"O",
"Pr"
] | [
59,
59,
59,
59,
8,
8,
8,
8,
8
] | 9 | 2 | [
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] | {
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"c": 7.354625225067139,
"alpha": 90,
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} | 123 | Pr4O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358392 | [
"Li",
"O",
"V"
] | [
3,
3,
23,
23,
8,
8,
8,
8,
8
] | 9 | 3 | [
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"a": 3.290395975112915,
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"c": 7.697114944458008,
"alpha": 90,
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} | 123 | Li2V2O5 | electrolyte_relevant | true | 2 | null | null | null | null | [
"li",
"oxide",
"electrolyte_candidate"
] | external_cif_tar |
tar:OQMD_360470 | [
"O",
"Sr",
"Pa"
] | [
38,
38,
91,
91,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"b": 3.791572093963623,
"c": 11.008870124816895,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Sr2Pa2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_360202 | [
"O",
"Mg",
"Cu"
] | [
12,
12,
29,
29,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 7.306424140930176,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Mg2Cu2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359542 | [
"O",
"Re",
"Pb"
] | [
75,
75,
82,
82,
8,
8,
8,
8,
8
] | 9 | 3 | [
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"c": 7.941046237945557,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Re2Pb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_360198 | [
"O",
"Hg",
"Pa"
] | [
91,
91,
80,
80,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 7.349738121032715,
"alpha": 90,
"beta": 90,
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} | 123 | Pa2Hg2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_356269 | [
"O",
"Ba",
"Bi"
] | [
56,
56,
83,
83,
8,
8,
8,
8,
8
] | 9 | 3 | [
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"c": 7.88431978225708,
"alpha": 90,
"beta": 90,
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} | 123 | Ba2Bi2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_356235 | [
"O",
"Cs",
"Yb"
] | [
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55,
70,
70,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 8.153843879699707,
"alpha": 90,
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"gamma": 90
} | 123 | Cs2Yb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359956 | [
"O",
"Fe",
"Re"
] | [
26,
26,
75,
75,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 8.77998161315918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Fe2Re2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357155 | [
"O",
"Ca",
"Mo"
] | [
20,
20,
42,
42,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
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} | 123 | Ca2Mo2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358563 | [
"Li",
"O",
"Cu"
] | [
3,
3,
29,
29,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 7.374297142028809,
"alpha": 90,
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} | 123 | Li2Cu2O5 | electrolyte_relevant | true | 2 | null | null | null | null | [
"li",
"oxide",
"electrolyte_candidate"
] | external_cif_tar |
tar:OQMD_358576 | [
"O",
"Tc",
"Hf"
] | [
72,
72,
43,
43,
8,
8,
8,
8,
8
] | 9 | 3 | [
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"alpha": 90,
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} | 123 | Hf2Tc2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358595 | [
"O",
"Sc",
"Pm"
] | [
61,
61,
21,
21,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"alpha": 90,
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} | 123 | Pm2Sc2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_357885 | [
"O",
"Sr",
"Nb"
] | [
38,
38,
41,
41,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"alpha": 90,
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} | 123 | Sr2Nb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358153 | [
"O",
"Sr",
"Mo"
] | [
38,
38,
42,
42,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
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[
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0.5
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[
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"c": 7.554568767547607,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Sr2Mo2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358648 | [
"O",
"Cr",
"Re"
] | [
24,
24,
75,
75,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
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] | {
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"c": 8.876253128051758,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Cr2Re2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358413 | [
"O",
"Gd",
"Bi"
] | [
64,
64,
83,
83,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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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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"c": 7.612436771392822,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Gd2Bi2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358682 | [
"O",
"Cu",
"Yb"
] | [
70,
70,
29,
29,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0
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[
0.5,
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[
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] | {
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"b": 3.717573881149292,
"c": 6.919428825378418,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Yb2Cu2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358734 | [
"O",
"Tc",
"U"
] | [
92,
92,
43,
43,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
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[
0.5,
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] | {
"a": 4.000927925109863,
"b": 4.000927925109863,
"c": 7.021640777587891,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | U2Tc2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358756 | [
"O",
"Te",
"U"
] | [
92,
92,
52,
52,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
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[
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] | {
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"b": 4.225176811218262,
"c": 9.077815055847168,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | U2Te2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358454 | [
"O",
"Tb",
"Hf"
] | [
65,
65,
72,
72,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0
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[
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] | {
"a": 4.07568883895874,
"b": 4.07568883895874,
"c": 7.341773986816406,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Tb2Hf2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_360163 | [
"O",
"W",
"Ac"
] | [
89,
89,
74,
74,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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0
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[
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] | {
"a": 4.118871212005615,
"b": 4.118871212005615,
"c": 7.270143032073975,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ac2W2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358228 | [
"O",
"Ca",
"In"
] | [
20,
20,
49,
49,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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0
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[
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[
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] | {
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"b": 4.103686809539795,
"c": 7.662536144256592,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ca2In2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358851 | [
"O",
"As",
"W"
] | [
33,
33,
74,
74,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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[
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] | {
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"b": 3.867863893508911,
"c": 6.96392822265625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | As2W2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359503 | [
"O",
"Fe",
"Pm"
] | [
61,
61,
26,
26,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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0
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[
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[
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] | {
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"c": 7.0404229164123535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Pm2Fe2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358877 | [
"O",
"Mg",
"Nd"
] | [
60,
60,
12,
12,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
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0
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[
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[
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] | {
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"c": 7.322535991668701,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Nd2Mg2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_360276 | [
"O",
"Mo",
"Eu"
] | [
63,
63,
42,
42,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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0
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[
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] | {
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"c": 7.060733795166016,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Eu2Mo2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358910 | [
"O",
"Al",
"Tm"
] | [
69,
69,
13,
13,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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[
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] | {
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"c": 6.905587196350098,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Tm2Al2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_360570 | [
"O",
"Rb",
"Cd"
] | [
37,
37,
48,
48,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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] | {
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"c": 8.074911117553711,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Rb2Cd2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_360405 | [
"O",
"Cs",
"Tb"
] | [
55,
55,
65,
65,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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] | {
"a": 4.635980129241943,
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"c": 7.403392791748047,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Cs2Tb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358955 | [
"O",
"V",
"Dy"
] | [
66,
66,
23,
23,
8,
8,
8,
8,
8
] | 9 | 3 | [
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] | {
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"c": 7.091862201690674,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Dy2V2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359945 | [
"O",
"Mn",
"Zn"
] | [
25,
25,
30,
30,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Mn2Zn2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359913 | [
"O",
"Sm",
"Gd"
] | [
62,
62,
64,
64,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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] | {
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"alpha": 90,
"beta": 90,
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} | 123 | Sm2Gd2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359014 | [
"O",
"K",
"Sb"
] | [
19,
19,
51,
51,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
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0
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[
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],
[
0.5,
0,
0.2330111414194107
],
[
0.5,
0,
0.7669888734817505
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.130414962768555,
"b": 4.130414962768555,
"c": 8.11896800994873,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | K2Sb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_358794 | [
"O",
"Nb",
"Eu"
] | [
63,
63,
41,
41,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.21420836448669434
],
[
0.5,
0.5,
0.7857916355133057
],
[
0,
0.5,
0.2224498689174652
],
[
0,
0.5,
0.7775501012802124
],
[
0.5,
0,
0.2224498689174652
],
[
0.5,
0,
0.7775501012802124
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.046442031860352,
"b": 4.046442031860352,
"c": 7.215918064117432,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Eu2Nb2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359037 | [
"O",
"Co",
"Ge"
] | [
27,
27,
32,
32,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.24586671590805054
],
[
0.5,
0.5,
0.7541332840919495
],
[
0,
0.5,
0.18185152113437653
],
[
0,
0.5,
0.8181484937667847
],
[
0.5,
0,
0.18185152113437653
],
[
0.5,
0,
0.8181484937667847
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.6793301105499268,
"b": 3.6793301105499268,
"c": 7.264993190765381,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Co2Ge2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_359050 | [
"B",
"O",
"Ta"
] | [
73,
73,
5,
5,
8,
8,
8,
8,
8
] | 9 | 3 | [
[
0.5,
0.5,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0,
0.18929825723171234
],
[
0,
0,
0.8107017278671265
],
[
0,
0.5,
0.1594516783952713
],
[
0,
0.5,
0.8405483365058899
],
[
0.5,
0,
0.1594516783952713
],
[
0.5,
0,
0.8405483365058899
],
[
0,
0,
0.5
]
] | {
"a": 3.1079471111297607,
"b": 3.1079471111297607,
"c": 9.346467971801758,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | Ta2B2O5 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
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