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"volume": 549.1304929712115,
"volume_molar": 6.1239650449644945,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.47439363,
"energy_per_atom": -7.360636919074074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -366.76039363,
"band_gap": 0.5207999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.769000Z",
"spacegroup": 1
},
{
"id": "mp-735041",
"created_at": "2022-09-04T14:45:17.562969Z",
"structure_string": "Al2 V2 P4 C2 N2 O18\n1.0\n7.921882 0.000000 0.000000\n0.936873 -8.230315 0.000000\n-3.947034 2.860090 -7.380433\nAl V P C N O\n2 2 4 2 2 18\ndirect\n0.082123 0.761061 0.033307 Al\n0.917877 0.238939 0.966693 Al\n0.447335 0.769073 0.689292 V\n0.552665 0.230927 0.310708 V\n0.244101 0.524768 0.277978 P\n0.755899 0.475232 0.722022 P\n0.231595 0.997220 0.914223 P\n0.768405 0.002780 0.085777 P\n0.690822 0.711646 0.298457 C\n0.309178 0.288354 0.701543 C\n0.828074 0.779192 0.430712 N\n0.171926 0.220808 0.569288 N\n0.082939 0.382252 0.176500 O\n0.917061 0.617748 0.823500 O\n0.216342 0.644842 0.172582 O\n0.783658 0.355158 0.827418 O\n0.249261 0.632105 0.465353 O\n0.750738 0.367895 0.534647 O\n0.547983 0.866100 0.622686 O\n0.452017 0.133900 0.377314 O\n0.562798 0.556425 0.694604 O\n0.437202 0.443575 0.305396 O\n0.609728 0.858626 0.946470 O\n0.390272 0.141374 0.053530 O\n0.263348 0.913660 0.741244 O\n0.736652 0.086340 0.258756 O\n0.038011 0.077800 0.862679 O\n0.961989 0.922200 0.137321 O\n0.235451 0.855689 0.990325 O\n0.764549 0.144311 0.009675 O\n",
"nsites": 30,
"nelements": 6,
"elements": [
"Al",
"V",
"P",
"C",
"N",
"O"
],
"chemical_system": "Al-C-N-O-P-V",
"density": 2.1386984928599455,
"density_atomic": 0.06234398894660494,
"volume": 481.2011632058668,
"volume_molar": 9.659537129004876,
"formula_full": "Al2 V2 P4 C2 N2 O18",
"formula_reduced": "AlVP2CNO9",
"formula_anonymous": "ABCDE2F9",
"energy": -235.23769345,
"energy_per_atom": -7.841256448333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.74969345,
"band_gap": 0.3904000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0042768,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.319000Z",
"spacegroup": 2
}
]
}