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{
"id": "jvasp-121236",
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"updated_at": "2022-09-04T14:38:53.493811Z",
"structure_string": "Al3 P1\n1.0\n5.937286 -0.301377 0.118893\n-1.791369 -3.816893 0.563183\n-2.530767 3.012661 -4.458913\nAl P\n3 1\ndirect\n0.040399 0.193997 -0.003426 Al\n0.481360 0.194213 0.437444 Al\n0.409675 0.782848 0.656806 Al\n0.082802 0.577257 0.778397 P\n",
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{
"id": "jvasp-121233",
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"structure_string": "Al2 P2\n1.0\n3.852581 0.410753 0.343290\n-1.395552 -4.977835 -0.415493\n-1.557497 0.318318 -4.936999\nAl P\n2 2\ndirect\n0.835685 0.024893 0.024616 Al\n0.835689 0.395483 0.654112 Al\n0.203487 0.740350 0.044738 P\n0.203416 0.415479 0.369569 P\n",
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{
"id": "jvasp-121234",
"created_at": "2022-09-04T14:38:54.352930Z",
"updated_at": "2022-09-04T14:38:54.352956Z",
"structure_string": "Al1 P2\n1.0\n6.340085 0.270576 -0.367805\n-2.133713 -2.866336 -1.076746\n1.831492 -2.184419 -4.291772\nAl P\n1 2\ndirect\n-0.075950 -0.250369 0.024935 Al\n0.349010 0.749425 -0.125061 P\n0.499125 0.749925 0.174950 P\n",
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"density": 2.617116994768113,
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"volume": 56.42475399404187,
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"formula_full": "Al1 P2",
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"spacegroup": 166
},
{
"id": "jvasp-123550",
"created_at": "2022-09-04T14:38:54.672013Z",
"updated_at": "2022-09-04T14:38:54.672038Z",
"structure_string": "Al1 P3\n1.0\n3.319282 0.000000 -1.062875\n0.032130 3.694967 0.100340\n0.062447 0.055625 5.909387\nAl P\n1 3\ndirect\n0.401726 0.002373 0.803451 Al\n0.621106 0.044284 0.242210 P\n0.088686 0.438878 0.177370 P\n0.888484 0.514468 0.776968 P\n",
"nsites": 4,
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"elements": [
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"density": 2.7386483517402778,
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"volume": 72.70131059997792,
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"formula_full": "Al1 P3",
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"spacegroup": 8
},
{
"id": "jvasp-8182",
"created_at": "2022-09-04T14:36:34.286784Z",
"updated_at": "2022-09-04T14:36:34.286814Z",
"structure_string": "Al2 P2\n1.0\n1.945211 -3.369205 -0.000000\n1.945211 3.369205 0.000000\n0.000000 -0.000000 6.397962\nAl P\n2 2\ndirect\n0.333333 0.666667 0.000290 Al\n0.666667 0.333333 0.500290 Al\n0.333333 0.666667 0.374710 P\n0.666667 0.333333 0.874710 P\n",
"nsites": 4,
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"elements": [
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"density": 2.295125565283156,
"density_atomic": 0.04769734287526471,
"volume": 83.8621138804433,
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"formula_full": "Al2 P2",
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"spacegroup": 186
},
{
"id": "jvasp-1327",
"created_at": "2022-09-04T14:35:48.899531Z",
"updated_at": "2022-09-04T14:35:48.899551Z",
"structure_string": "Al1 P1\n1.0\n3.376807 0.000000 1.949600\n1.125603 3.183684 1.949600\n-0.000000 -0.000000 3.899201\nAl P\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 P\n",
"nsites": 2,
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"elements": [
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"density": 2.295780922896858,
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"volume": 41.919087227806024,
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"formula_full": "Al1 P1",
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"spacegroup": 216
},
{
"id": "jvasp-121235",
"created_at": "2022-09-04T14:38:55.181819Z",
"updated_at": "2022-09-04T14:38:55.181853Z",
"structure_string": "Al2 P1\n1.0\n3.439871 0.129258 0.914386\n-1.669715 -3.323369 -0.204789\n-0.392618 -4.057159 -4.864772\nAl P\n2 1\ndirect\n0.864050 0.563558 0.820030 Al\n0.588194 0.419044 0.418081 Al\n0.162087 0.904684 0.078092 P\n",
"nsites": 3,
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"elements": [
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"volume": 56.71750402171124,
"volume_molar": 11.385359759153706,
"formula_full": "Al2 P1",
"formula_reduced": "Al2P",
"formula_anonymous": "AB2",
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"spacegroup": 8
},
{
"id": "jvasp-121237",
"created_at": "2022-09-04T14:38:55.308887Z",
"updated_at": "2022-09-04T14:38:55.308915Z",
"structure_string": "Al1 P3\n1.0\n6.168400 0.537795 0.556670\n0.322790 -3.804113 -0.481744\n1.733054 3.380247 -2.751629\nAl P\n1 3\ndirect\n0.909636 0.059599 0.940550 Al\n0.409472 0.562300 0.914114 P\n0.162601 0.375721 0.259673 P\n0.656689 0.745005 0.197817 P\n",
"nsites": 4,
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"elements": [
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"density": 2.5228974668545616,
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"volume": 78.9185161346334,
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"spacegroup": 5
},
{
"id": "jvasp-17426",
"created_at": "2022-09-04T14:38:32.476459Z",
"updated_at": "2022-09-04T14:38:32.476488Z",
"structure_string": "Al3 Os2\n1.0\n3.071936 -0.000000 -0.657119\n-0.140565 3.068719 -0.657119\n-0.009273 -0.009707 7.465634\nAl Os\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.195851 0.195851 0.391700 Al\n0.804149 0.804149 0.608299 Al\n0.392585 0.392584 0.785167 Os\n0.607415 0.607416 0.214832 Os\n",
"nsites": 5,
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"elements": [
"Al",
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],
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"density": 10.89273554351509,
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"volume": 70.33865707880912,
"volume_molar": 8.47178587595918,
"formula_full": "Al3 Os2",
"formula_reduced": "Al3Os2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.51755168,
"spacegroup": 139
},
{
"id": "jvasp-19875",
"created_at": "2022-09-04T14:36:21.772803Z",
"updated_at": "2022-09-04T14:36:21.772839Z",
"structure_string": "Al1 Os1\n1.0\n3.026682 0.000000 -0.000000\n0.000000 3.026682 -0.000000\n0.000000 0.000000 3.026682\nAl Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Os\n",
"nsites": 2,
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"elements": [
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],
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"density": 13.008631380531998,
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"volume": 27.72684035780889,
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"formula_full": "Al1 Os1",
"formula_reduced": "AlOs",
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},
{
"id": "jvasp-1540",
"created_at": "2022-09-04T14:36:37.512904Z",
"updated_at": "2022-09-04T14:36:37.512929Z",
"structure_string": "Al2 Os1\n1.0\n3.010270 -0.000000 -1.071445\n-0.381360 2.986017 -1.071445\n-0.007036 -0.007992 4.744696\nAl Os\n2 1\ndirect\n0.338488 0.338490 0.676979 Al\n0.661510 0.661512 0.323019 Al\n0.000000 0.000000 0.000000 Os\n",
"nsites": 3,
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"elements": [
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},
{
"id": "jvasp-49866",
"created_at": "2022-09-04T14:36:32.830693Z",
"updated_at": "2022-09-04T14:36:32.830710Z",
"structure_string": "Al4 O6\n1.0\n4.849062 -0.000000 -0.000000\n-2.424530 1.399803 4.497827\n2.424530 -4.199410 -0.000000\nAl O\n4 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Al\n0.305630 0.916894 0.305631 Al\n0.694369 0.083107 0.694370 Al\n0.279468 0.775341 0.604090 O\n0.395910 0.224659 0.108217 O\n0.108217 0.224659 0.720532 O\n0.891783 0.775341 0.279469 O\n0.604089 0.775341 0.891784 O\n0.720531 0.224659 0.395911 O\n",
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"elements": [
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],
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"density": 3.697137458533506,
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"volume": 91.59014830797773,
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"formula_full": "Al4 O6",
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]
}