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"created_at": "2022-09-04T14:37:04.580996Z",
"updated_at": "2022-09-04T14:37:04.581013Z",
"structure_string": "K1 Al1 P4 H4 O14\n1.0\n4.912652 -0.026569 -0.018041\n2.036453 7.155597 -0.055562\n0.828267 0.866032 7.629146\nK Al P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 Al\n0.420774 0.608036 0.228959 P\n0.579226 0.391964 0.771042 P\n0.315593 0.235079 0.317212 P\n0.684406 0.764920 0.682789 P\n0.117920 0.786295 0.417797 H\n0.882079 0.213705 0.582204 H\n0.310781 0.003441 0.618445 H\n0.689219 -0.003442 0.381556 H\n0.697716 0.222485 0.661818 O\n0.302283 0.777515 0.338183 O\n0.731608 0.591924 0.184222 O\n0.268391 0.408076 0.815779 O\n0.622839 0.571937 0.642235 O\n0.377161 0.428063 0.357766 O\n0.833964 0.837377 0.518929 O\n0.246222 0.628071 0.072424 O\n0.838323 0.721886 0.849435 O\n0.161676 0.278114 0.150566 O\n0.387165 0.903835 0.719343 O\n0.166036 0.162624 0.481072 O\n0.753777 0.371929 0.927577 O\n0.612834 0.096165 0.280658 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-H-K-O-P",
"density": 2.581145466205729,
"density_atomic": 0.08924834370287564,
"volume": 268.9125534911939,
"volume_molar": 6.747621871895828,
"formula_full": "K1 Al1 P4 H4 O14",
"formula_reduced": "KAlP4(H2O7)2",
"formula_anonymous": "ABC4D4E14",
"energy_above_hull": 2.925254241666667,
"spacegroup": 2
},
{
"id": "jvasp-56743",
"created_at": "2022-09-04T14:38:34.461451Z",
"updated_at": "2022-09-04T14:38:34.461478Z",
"structure_string": "Li4 Ca3 Si2 N6\n1.0\n5.658706 -0.004433 -0.030909\n-2.693745 4.976416 -0.030909\n-0.008666 -0.014531 5.971305\nLi Ca Si N\n4 3 2 6\ndirect\n0.036335 0.683512 0.124957 Li\n0.683512 0.036336 0.124957 Li\n0.963664 0.316489 0.875043 Li\n0.316487 0.963665 0.875043 Li\n0.314887 0.685113 0.500000 Ca\n0.685112 0.314889 0.500000 Ca\n0.500000 0.500001 -0.000000 Ca\n0.882329 0.882330 0.670819 Si\n0.117671 0.117671 0.329181 Si\n0.363927 0.064004 0.208142 N\n0.805213 0.805214 0.366884 N\n0.194787 0.194787 0.633116 N\n0.636073 0.935998 0.791859 N\n0.935997 0.636075 0.791859 N\n0.064003 0.363927 0.208142 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Si",
"N"
],
"chemical_system": "Ca-Li-N-Si",
"density": 2.8474179474955625,
"density_atomic": 0.08924533822113101,
"volume": 168.07600597392755,
"volume_molar": 6.74784910902395,
"formula_full": "Li4 Ca3 Si2 N6",
"formula_reduced": "Li4Ca3(SiN3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 3.1250171973333334,
"spacegroup": 12
}
]
}