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{
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.81989226,
"band_gap": 0.6174999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0036622,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.515000Z",
"spacegroup": 62
},
{
"id": "mp-1221516",
"created_at": "2022-09-04T14:46:17.313948Z",
"structure_string": "Mo2 H2 O6\n1.0\n1.982944 7.491321 0.000000\n-1.982944 7.491321 0.000000\n0.000000 0.089322 3.955293\nMo H O\n2 2 6\ndirect\n0.046855 0.124705 0.240469 Mo\n0.875295 0.953145 0.759531 Mo\n0.607167 0.905739 0.970263 H\n0.094261 0.392833 0.029737 H\n0.966443 0.919532 0.251052 O\n0.080468 0.033557 0.748948 O\n0.601857 0.571887 0.264627 O\n0.428113 0.398143 0.735373 O\n0.244296 0.184753 0.177868 O\n0.815247 0.755704 0.822132 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mo",
"H",
"O"
],
"chemical_system": "H-Mo-O",
"density": 4.096455436985965,
"density_atomic": 0.08509861410287303,
"volume": 117.51072688341687,
"volume_molar": 7.076661381018525,
"formula_full": "Mo2 H2 O6",
"formula_reduced": "MoHO3",
"formula_anonymous": "ABC3",
"energy": -74.8731844,
"energy_per_atom": -7.48731844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.3471844,
"band_gap": 0.7623,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.181000Z",
"spacegroup": 5
}
]
}