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{
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{
"id": "jvasp-42243",
"created_at": "2022-09-04T14:35:58.197918Z",
"updated_at": "2022-09-04T14:35:58.197934Z",
"structure_string": "Li4 V2 P4 H2 O16\n1.0\n0.000000 4.839198 -0.001527\n8.021948 0.000000 0.000000\n0.000000 -1.848052 -7.298353\nLi V P H O\n4 2 4 2 16\ndirect\n0.371451 0.634205 0.909090 Li\n0.628550 0.134205 0.090910 Li\n0.860136 0.865062 0.409765 Li\n0.139865 0.365061 0.590235 Li\n0.749037 0.499939 0.253304 V\n0.250964 -0.000061 0.746696 V\n0.884430 0.844797 0.012287 P\n0.115570 0.344796 0.987713 P\n0.382768 0.651816 0.517632 P\n0.617232 0.151816 0.482368 P\n0.775092 0.489633 0.760385 H\n0.224908 0.989633 0.239615 H\n0.888570 0.322107 0.097813 O\n0.111431 0.822107 0.902187 O\n0.987238 0.437486 0.800727 O\n0.863718 0.041710 0.592468 O\n0.736663 0.322299 0.442063 O\n0.012762 0.937486 0.199273 O\n0.607199 0.675482 0.403270 O\n0.263338 0.822299 0.557937 O\n0.766849 0.677970 0.061082 O\n0.639806 0.957762 0.909541 O\n0.505551 0.559834 0.699912 O\n0.392801 0.175482 0.596730 O\n0.233152 0.177970 0.938918 O\n0.360195 0.457762 0.090459 O\n0.494450 0.059834 0.300088 O\n0.136283 0.541710 0.407532 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.997940215866064,
"density_atomic": 0.09882008710914612,
"volume": 283.34320297728726,
"volume_molar": 6.094045184708839,
"formula_full": "Li4 V2 P4 H2 O16",
"formula_reduced": "Li2VP2HO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.798295942857143,
"spacegroup": 4
},
{
"id": "jvasp-62993",
"created_at": "2022-09-04T14:35:58.409315Z",
"updated_at": "2022-09-04T14:35:58.409339Z",
"structure_string": "Li12 Au4 O12\n1.0\n9.176269 0.000000 0.000000\n0.000000 9.176269 0.000000\n0.000000 0.000000 3.551404\nLi Au O\n12 4 12\ndirect\n0.140579 0.590398 0.000000 Li\n0.859422 0.409602 0.000000 Li\n0.090398 0.359422 0.499999 Li\n0.909602 0.640579 0.499999 Li\n0.640579 0.909602 0.499999 Li\n0.359422 0.090398 0.499999 Li\n0.590398 0.140579 0.000000 Li\n0.409602 0.859422 0.000000 Li\n0.167363 0.167363 0.000000 Li\n0.832637 0.832637 0.000000 Li\n0.667363 0.332637 0.499999 Li\n0.332637 0.667363 0.499999 Li\n0.118538 0.881462 0.499999 Au\n0.881462 0.118538 0.499999 Au\n0.618538 0.618538 0.000000 Au\n0.381462 0.381462 0.000000 Au\n0.380462 0.162391 0.000000 O\n0.619538 0.837609 0.000000 O\n0.662391 0.119538 0.499999 O\n0.337609 0.880462 0.499999 O\n0.880462 0.337609 0.499999 O\n0.119538 0.662391 0.499999 O\n0.162391 0.380462 0.000000 O\n0.837609 0.619538 0.000000 O\n0.606712 0.393289 0.000000 O\n0.393289 0.606712 0.000000 O\n0.893289 0.893289 0.499999 O\n0.106712 0.106712 0.499999 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Au",
"O"
],
"chemical_system": "Au-Li-O",
"density": 5.903529372800279,
"density_atomic": 0.09363229732839451,
"volume": 299.042112592797,
"volume_molar": 6.431691768577115,
"formula_full": "Li12 Au4 O12",
"formula_reduced": "Li3AuO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.3652525814285714,
"spacegroup": 136
}
]
}