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"energy": -631.83882307,
"energy_per_atom": -8.775539209305556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -616.09482307,
"band_gap": 2.577500000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.812000Z",
"spacegroup": 57
},
{
"id": "mp-1213616",
"created_at": "2022-09-04T14:40:36.566258Z",
"structure_string": "K8 P8 H12 W2 O28\n1.0\n0.000000 -7.317066 0.000000\n8.149327 -3.658533 -5.519138\n7.130690 -3.658533 9.841377\nK P H W O\n8 8 12 2 28\ndirect\n0.753609 0.526329 0.453505 K\n0.246391 0.473671 0.546495 K\n0.733443 0.973671 0.046495 K\n0.266557 0.026329 0.953505 K\n0.719775 0.064688 0.399417 K\n0.280225 0.935312 0.600583 K\n0.183880 0.435312 0.100583 K\n0.816120 0.564688 0.899417 K\n0.822189 0.257246 0.089651 P\n0.177811 0.742754 0.910349 P\n0.169087 0.242754 0.410349 P\n0.830913 0.757246 0.589651 P\n0.588721 0.512235 0.206600 P\n0.411279 0.487765 0.793400 P\n0.307556 0.987765 0.293400 P\n0.692444 0.012235 0.706600 P\n0.307337 0.485367 0.317703 H\n0.692663 0.514633 0.682297 H\n0.110407 0.014633 0.182297 H\n0.889593 0.985367 0.817703 H\n0.081648 0.619888 0.230401 H\n0.918352 0.380112 0.769599 H\n0.931937 0.880112 0.269599 H\n0.068063 0.119888 0.730401 H\n0.380676 0.675844 0.028870 H\n0.619324 0.324156 0.971130 H\n0.085391 0.824156 0.471130 H\n0.914609 0.175844 0.528870 H\n0.836451 0.750000 0.250000 W\n0.163549 0.250000 0.750000 W\n0.902728 0.112490 0.132373 O\n0.097272 0.887510 0.867627 O\n0.147592 0.387510 0.367627 O\n0.852408 0.612490 0.632373 O\n0.688529 0.822240 0.518158 O\n0.311471 0.177760 0.481842 O\n0.028926 0.677760 0.981842 O\n0.971074 0.322240 0.018158 O\n0.693962 0.346281 0.199737 O\n0.306038 0.653719 0.800263 O\n0.239980 0.153719 0.300263 O\n0.760020 0.846281 0.699737 O\n0.654728 0.255200 0.031579 O\n0.345272 0.744800 0.968421 O\n0.941508 0.244800 0.468421 O\n0.058492 0.755200 0.531579 O\n0.535462 0.930704 0.270309 O\n0.464538 0.069296 0.729691 O\n0.736475 0.569296 0.229691 O\n0.263525 0.430704 0.770309 O\n0.509869 0.563432 0.106652 O\n0.490131 0.436568 0.893348 O\n0.179952 0.936568 0.393348 O\n0.820048 0.063432 0.606652 O\n0.417989 0.520578 0.319717 O\n0.582011 0.479422 0.680283 O\n0.258284 0.979422 0.180283 O\n0.741716 0.020578 0.819717 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"K",
"P",
"H",
"W",
"O"
],
"chemical_system": "H-K-O-P-W",
"density": 2.635333100288503,
"density_atomic": 0.06630101058008085,
"volume": 874.7981289055228,
"volume_molar": 9.083030118713246,
"formula_full": "K8 P8 H12 W2 O28",
"formula_reduced": "K4P4H6WO14",
"formula_anonymous": "AB4C4D6E14",
"energy": -369.03657347,
"energy_per_atom": -6.362699542586207,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -340.92457347,
"band_gap": 0.0362000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9989947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.401000Z",
"spacegroup": 15
}
]
}