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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:35:14.063000Z",
"spacegroup": 74
},
{
"id": "mp-1234932",
"created_at": "2022-09-04T14:40:57.844821Z",
"structure_string": "Sr2 Mg1 H8 O6\n1.0\n3.864630 0.007431 -0.002737\n0.000400 7.798842 0.535564\n-0.011377 0.641946 8.058212\nSr Mg H O\n2 1 8 6\ndirect\n0.001601 0.747776 0.648595 Sr\n0.998266 0.264862 0.120255 Sr\n0.502236 0.373919 0.507350 Mg\n0.204404 0.054207 0.808978 H\n0.796985 0.053715 0.809065 H\n0.792250 0.925110 0.289695 H\n0.207615 0.925166 0.289958 H\n0.500367 0.035856 0.597293 H\n0.497532 0.981467 0.077311 H\n0.500997 0.497774 0.795796 H\n0.497404 0.564283 0.057367 H\n0.000588 0.096984 0.868427 O\n0.000337 0.868838 0.354003 O\n0.500955 0.949496 0.699768 O\n0.499236 0.038108 0.176918 O\n0.502589 0.539342 0.670864 O\n0.496638 0.458096 0.007565 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
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"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O-Sr",
"density": 2.0872003590752253,
"density_atomic": 0.07038095566346343,
"volume": 241.54261390379412,
"volume_molar": 8.55649188509989,
"formula_full": "Sr2 Mg1 H8 O6",
"formula_reduced": "Sr2Mg(H4O3)2",
"formula_anonymous": "AB2C6D8",
"energy": -89.12844312,
"energy_per_atom": -5.242849595294118,
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"energy_uncorrected": -85.00644312,
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"updated_at": "2021-11-28T01:35:09.371000Z",
"spacegroup": 6
},
{
"id": "mp-1222578",
"created_at": "2022-09-04T14:41:04.674840Z",
"structure_string": "Li2 Sc2 B8 H32\n1.0\n4.241186 -4.407420 0.000000\n4.241186 4.407420 0.000000\n0.000000 0.000000 11.643057\nLi Sc B H\n2 2 8 32\ndirect\n0.000000 0.000000 0.442121 Li\n0.000000 0.000000 0.942121 Li\n0.500000 0.500000 0.234535 Sc\n0.500000 0.500000 0.734535 Sc\n0.748044 0.721137 0.861897 B\n0.251956 0.278863 0.861897 B\n0.273070 0.718305 0.633818 B\n0.726930 0.281695 0.633818 B\n0.281695 0.726930 0.133818 B\n0.718305 0.273070 0.133818 B\n0.278863 0.251956 0.361897 B\n0.721137 0.748044 0.361897 B\n0.759678 0.724985 0.755490 H\n0.240322 0.275015 0.755490 H\n0.221664 0.710525 0.736930 H\n0.778336 0.289475 0.736930 H\n0.289475 0.778336 0.236930 H\n0.710525 0.221664 0.236930 H\n0.275015 0.240322 0.255490 H\n0.724985 0.759678 0.255490 H\n0.644546 0.873308 0.896466 H\n0.355454 0.126692 0.896466 H\n0.470121 0.778255 0.631556 H\n0.529879 0.221745 0.631556 H\n0.221745 0.529879 0.131556 H\n0.778255 0.470121 0.131556 H\n0.126692 0.355454 0.396466 H\n0.873308 0.644546 0.396466 H\n0.934723 0.710871 0.897339 H\n0.065277 0.289129 0.897339 H\n0.162847 0.837655 0.578531 H\n0.837153 0.162345 0.578531 H\n0.162345 0.837153 0.078531 H\n0.837655 0.162847 0.078531 H\n0.289129 0.065277 0.397339 H\n0.710871 0.934723 0.397339 H\n0.657155 0.548267 0.894430 H\n0.342845 0.451733 0.894430 H\n0.264062 0.526566 0.598418 H\n0.735938 0.473434 0.598418 H\n0.473434 0.735938 0.098418 H\n0.526566 0.264062 0.098418 H\n0.451733 0.342845 0.394430 H\n0.548267 0.657155 0.394430 H\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"B",
"H"
],
"chemical_system": "B-H-Li-Sc",
"density": 0.8489466738734628,
"density_atomic": 0.10108434469115107,
"volume": 435.2800637372264,
"volume_molar": 5.957540486016702,
"formula_full": "Li2 Sc2 B8 H32",
"formula_reduced": "LiSc(BH4)4",
"formula_anonymous": "ABC4D16",
"energy": -195.0542178,
"energy_per_atom": -4.433050404545455,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -189.3262178,
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"updated_at": "2021-11-28T01:35:13.625000Z",
"spacegroup": 37
}
]
}