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{
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{
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"structure_string": "K6 Na2 Mn1 H24 W6 O36\n1.0\n7.275174 -6.596442 0.000000\n7.275174 6.596442 0.000000\n1.294143 0.000000 9.734803\nK Na Mn H W O\n6 2 1 24 6 36\ndirect\n0.667013 0.101497 0.667013 K\n0.898503 0.332987 0.332987 K\n0.667013 0.667013 0.101497 K\n0.332987 0.332987 0.898503 K\n0.101497 0.667013 0.667013 K\n0.332987 0.898503 0.332987 K\n0.739549 0.739548 0.739549 Na\n0.260452 0.260451 0.260451 Na\n0.000000 0.000000 0.000000 Mn\n0.901977 0.526405 0.901977 H\n0.473595 0.098023 0.098023 H\n0.517343 0.157145 0.398114 H\n0.842855 0.482657 0.601886 H\n0.352509 0.036986 0.036986 H\n0.963014 0.647491 0.963014 H\n0.398114 0.157145 0.517343 H\n0.842855 0.601886 0.482657 H\n0.601886 0.482657 0.842855 H\n0.517343 0.398114 0.157145 H\n0.098023 0.098023 0.473595 H\n0.036986 0.036986 0.352509 H\n0.963014 0.963014 0.647491 H\n0.901977 0.901977 0.526405 H\n0.398114 0.517343 0.157145 H\n0.482657 0.601886 0.842855 H\n0.601886 0.842855 0.482657 H\n0.157145 0.398114 0.517343 H\n0.036986 0.352509 0.036986 H\n0.647491 0.963014 0.963014 H\n0.482657 0.842855 0.601886 H\n0.157145 0.517343 0.398114 H\n0.098023 0.473595 0.098023 H\n0.526405 0.901977 0.901977 H\n0.754600 0.000000 0.245400 W\n0.754600 0.245400 0.000000 W\n0.245400 0.000000 0.754600 W\n0.000000 0.245400 0.754600 W\n0.245400 0.754600 0.000000 W\n0.000000 0.754600 0.245400 W\n0.873750 0.100199 0.873750 O\n0.899801 0.126250 0.126250 O\n0.708705 0.125196 0.368045 O\n0.874804 0.291295 0.631955 O\n0.909484 0.348051 0.909484 O\n0.651949 0.090516 0.090516 O\n0.708705 0.368045 0.125196 O\n0.631955 0.291295 0.874804 O\n0.898328 0.627898 0.898328 O\n0.372102 0.101672 0.101672 O\n0.416953 0.156279 0.416953 O\n0.843721 0.583047 0.583047 O\n0.874804 0.631955 0.291295 O\n0.368045 0.125196 0.708705 O\n0.126250 0.126250 0.899801 O\n0.101672 0.101672 0.372102 O\n0.583047 0.583047 0.843721 O\n0.898328 0.898328 0.627898 O\n0.090516 0.090516 0.651949 O\n0.416953 0.416953 0.156279 O\n0.909484 0.909484 0.348051 O\n0.873750 0.873750 0.100199 O\n0.631955 0.874804 0.291295 O\n0.125196 0.368045 0.708705 O\n0.583047 0.843721 0.583047 O\n0.156279 0.416953 0.416953 O\n0.101672 0.372102 0.101672 O\n0.627898 0.898328 0.898328 O\n0.291295 0.631955 0.874804 O\n0.368045 0.708705 0.125196 O\n0.348051 0.909484 0.909484 O\n0.090516 0.651949 0.090516 O\n0.291295 0.874804 0.631955 O\n0.125196 0.708705 0.368045 O\n0.100199 0.873750 0.873750 O\n0.126250 0.899801 0.126250 O\n",
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{
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{
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{
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"formula_reduced": "CsMnGa2P3(H2O7)2",
"formula_anonymous": "ABC2D3E4F14",
"energy": -344.69280323,
"energy_per_atom": -6.8938560645999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.12080323,
"band_gap": 3.3475,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0009177,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.476000Z",
"spacegroup": 15
}
]
}