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"energy": -73.14203921,
"energy_per_atom": -9.14275490125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.14203921,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.0643674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.995000Z",
"spacegroup": 194
},
{
"id": "mp-1179374",
"created_at": "2022-09-04T14:42:57.040591Z",
"structure_string": "Sr1 H16 O10\n1.0\n6.297984 0.000000 0.000000\n0.087721 6.358955 0.000000\n0.100692 0.019592 7.012782\nSr H O\n1 16 10\ndirect\n0.989836 0.001770 0.011206 Sr\n0.667998 0.335333 0.200854 H\n0.722729 0.146822 0.345126 H\n0.336856 0.678010 0.190180 H\n0.289012 0.901197 0.291668 H\n0.102340 0.288996 0.292995 H\n0.326003 0.331812 0.185289 H\n0.679152 0.660504 0.196164 H\n0.899231 0.704553 0.300010 H\n0.280850 0.903034 0.712763 H\n0.332343 0.679201 0.812118 H\n0.662455 0.320548 0.808946 H\n0.712274 0.092189 0.713117 H\n0.677691 0.665584 0.811119 H\n0.901603 0.725234 0.709808 H\n0.319966 0.331544 0.812425 H\n0.099731 0.279851 0.707583 H\n0.499403 0.495755 0.107311 O\n0.501119 0.496753 0.893428 O\n0.787970 0.244511 0.255953 O\n0.220877 0.777162 0.239437 O\n0.227422 0.218052 0.236403 O\n0.774371 0.773882 0.245580 O\n0.215122 0.776927 0.765997 O\n0.778592 0.221754 0.756754 O\n0.770234 0.785480 0.764415 O\n0.224820 0.215317 0.766416 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 1.5593699779674872,
"density_atomic": 0.09613601610961106,
"volume": 280.85207909193474,
"volume_molar": 6.264187974186237,
"formula_full": "Sr1 H16 O10",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy": -141.73693572,
"energy_per_atom": -5.2495161377777775,
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"is_stable": null,
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"energy_uncorrected": -134.86693572,
"band_gap": 3.3644,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.874000Z",
"spacegroup": 1
}
]
}