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{
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"structure_string": "Li4 V4 As4 O20\n1.0\n6.548522 -0.000000 0.000000\n0.000000 7.486835 0.000000\n0.000000 0.000000 7.547034\nLi V As O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.663422 0.227388 V\n0.750000 0.836579 0.727388 V\n0.250000 0.163422 0.272612 V\n0.750000 0.336578 0.772611 V\n0.750000 0.626690 0.127770 As\n0.750000 0.126689 0.372229 As\n0.250000 0.373311 0.872229 As\n0.250000 0.873311 0.627770 As\n0.750000 0.617785 0.677451 O\n0.250000 0.066124 0.504455 O\n0.750000 0.933876 0.495544 O\n0.250000 0.680497 0.501210 O\n0.750000 0.433876 0.004456 O\n0.750000 0.819504 0.001210 O\n0.541799 0.126040 0.231698 O\n0.250000 0.382215 0.322549 O\n0.750000 0.117785 0.822548 O\n0.958200 0.126040 0.231698 O\n0.041799 0.873960 0.768302 O\n0.458201 0.373960 0.731697 O\n0.958200 0.626041 0.268302 O\n0.458201 0.873960 0.768302 O\n0.250000 0.566124 0.995545 O\n0.541799 0.626041 0.268302 O\n0.041799 0.373960 0.731697 O\n0.250000 0.180497 -0.001210 O\n0.250000 0.882216 0.177451 O\n0.750000 0.319504 0.498790 O\n",
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{
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"created_at": "2022-09-04T14:38:41.692268Z",
"updated_at": "2022-09-04T14:38:41.692288Z",
"structure_string": "Ca2 Al2 Si2 O10\n1.0\n5.252067 -0.002593 1.227906\n-1.901257 4.895860 1.227906\n0.020643 0.030146 6.975509\nCa Al Si O\n2 2 2 10\ndirect\n0.673158 0.326843 0.750001 Ca\n0.326842 0.673158 0.250001 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.316054 0.683947 0.750001 Si\n0.683946 0.316055 0.250001 Si\n0.938195 0.061807 0.750000 O\n0.061805 0.938195 0.250001 O\n0.307131 0.884321 0.893776 O\n0.692869 0.115681 0.106225 O\n0.115680 0.692869 0.606225 O\n0.884320 0.307132 0.393776 O\n0.632136 0.757262 0.600988 O\n0.367864 0.242740 0.399013 O\n0.242739 0.367865 0.899013 O\n0.757261 0.632137 0.100988 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.2505780458095925,
"density_atomic": 0.08941514535960618,
"volume": 178.9406026870711,
"volume_molar": 6.7350343566298525,
"formula_full": "Ca2 Al2 Si2 O10",
"formula_reduced": "CaAlSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.020614915,
"spacegroup": 15
}
]
}