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"results": [
{
"id": "jvasp-119538",
"created_at": "2022-09-04T14:38:48.623059Z",
"updated_at": "2022-09-04T14:38:48.623076Z",
"structure_string": "Li2 Mg1 Mn3 O8\n1.0\n5.014795 0.004081 3.052660\n1.717556 4.711488 3.052669\n0.005875 0.004104 5.870840\nLi Mg Mn O\n2 1 3 8\ndirect\n0.116894 0.116895 0.116895 Li\n0.883106 0.883105 0.883105 Li\n0.500001 0.500000 0.499999 Mg\n0.500001 0.499999 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.499999 0.500001 Mn\n0.262609 0.262609 0.262610 O\n0.710338 0.252745 0.252743 O\n0.252745 0.710338 0.252744 O\n0.252745 0.252744 0.710338 O\n0.747257 0.747256 0.289662 O\n0.747255 0.289663 0.747256 O\n0.289663 0.747255 0.747256 O\n0.737391 0.737390 0.737391 O\n",
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{
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"structure_string": "Be2 Ni1 Ru1\n1.0\n-1.912711 1.912711 2.704946\n1.912711 -1.912711 2.704946\n1.912711 1.912711 -2.704946\nBe Ni Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ru\n",
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{
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"updated_at": "2022-09-04T14:37:34.917991Z",
"structure_string": "K1 Li6 Ir1 O6\n1.0\n5.190485 0.017253 -1.045276\n-1.280055 5.030198 -1.045276\n0.013366 0.017253 5.294672\nK Li Ir O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.339573 -0.000001 0.660427 Li\n0.000001 0.660427 0.339572 Li\n0.339573 0.660427 -0.000001 Li\n0.000001 0.339573 0.660427 Li\n0.660427 -0.000001 0.339572 Li\n0.660427 0.339573 -0.000001 Li\n0.000000 0.000000 0.000000 Ir\n0.724536 0.081440 0.724536 O\n0.724537 0.724537 0.081439 O\n0.275464 0.918560 0.275462 O\n0.275464 0.275463 0.918559 O\n0.918559 0.275463 0.275462 O\n0.081442 0.724537 0.724536 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.422223236041758,
"density_atomic": 0.1010515599276153,
"volume": 138.54313590040968,
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"formula_full": "K1 Li6 Ir1 O6",
"formula_reduced": "KLi6IrO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 1.8434692928571428,
"spacegroup": 166
},
{
"id": "jvasp-103231",
"created_at": "2022-09-04T14:36:36.676281Z",
"updated_at": "2022-09-04T14:36:36.676302Z",
"structure_string": "Be2 Ni1 Ru1\n1.0\n3.312861 0.000000 1.912681\n1.104287 3.123395 1.912681\n0.000000 -0.000000 3.825363\nBe Ni Ru\n2 1 1\ndirect\n0.750000 0.750001 0.749998 Be\n0.250000 0.250000 0.249999 Be\n0.500000 0.500001 0.499999 Ni\n0.000000 0.000000 0.000000 Ru\n",
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"elements": [
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"density": 7.458443213259796,
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"volume": 39.582459669412735,
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"formula_full": "Be2 Ni1 Ru1",
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"spacegroup": 225
},
{
"id": "jvasp-120177",
"created_at": "2022-09-04T14:38:52.987866Z",
"updated_at": "2022-09-04T14:38:52.987894Z",
"structure_string": "Si1 O1 F1\n1.0\n3.569500 0.000000 -0.000000\n-1.784750 3.091278 0.000000\n0.000000 0.000000 2.690384\nSi O F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Si\n0.333333 0.666666 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
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"elements": [
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],
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"volume": 29.686549426149266,
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"spacegroup": 187
},
{
"id": "jvasp-48959",
"created_at": "2022-09-04T14:36:02.592703Z",
"updated_at": "2022-09-04T14:36:02.592733Z",
"structure_string": "Li6 Fe2 B4 O12\n1.0\n5.012503 -0.018426 -0.006314\n0.051564 6.177110 -0.090936\n0.075489 2.037620 7.639572\nLi Fe B O\n6 2 4 12\ndirect\n0.172842 0.763642 0.890989 Li\n0.827663 0.531686 0.763569 Li\n0.325763 0.603191 0.574626 Li\n0.176035 0.469460 0.240771 Li\n0.677933 0.397978 0.429720 Li\n0.830843 0.237514 0.113349 Li\n0.348445 0.951423 0.232436 Fe\n0.655240 0.049726 0.771897 Fe\n0.336968 0.333140 0.927340 B\n0.169077 0.177941 0.586264 B\n0.834618 0.823213 0.418072 B\n0.666728 0.668017 0.076998 B\n0.215986 0.220892 0.085315 O\n0.787712 0.780270 0.919025 O\n0.114246 0.822473 0.412229 O\n0.699021 0.669467 0.537969 O\n0.396785 0.723983 0.102419 O\n0.205898 0.493504 0.811806 O\n0.606906 0.277169 0.901915 O\n0.797798 0.507651 0.192533 O\n0.304677 0.331691 0.466373 O\n0.889450 0.178686 0.592111 O\n0.296711 0.016400 0.717269 O\n0.706982 0.984741 0.287060 O\n",
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],
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"density": 2.717020366621627,
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"formula_full": "Li6 Fe2 B4 O12",
"formula_reduced": "Li3Fe(BO3)2",
"formula_anonymous": "AB2C3D6",
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"spacegroup": 2
},
{
"id": "jvasp-105696",
"created_at": "2022-09-04T14:35:46.737611Z",
"updated_at": "2022-09-04T14:35:46.737633Z",
"structure_string": "Fe4 O4\n1.0\n3.037194 0.019133 -0.014847\n1.491182 4.960454 0.900821\n0.025560 -0.033799 5.257550\nFe O\n4 4\ndirect\n0.493150 0.000038 0.499974 Fe\n0.751015 0.499985 0.249996 Fe\n0.006844 0.999994 0.000025 Fe\n0.248977 0.499979 0.750001 Fe\n0.870963 0.249982 0.625056 O\n0.379061 0.250018 0.125031 O\n0.122000 0.749981 0.374974 O\n0.627987 0.750018 0.874944 O\n",
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"density": 6.02869518762918,
"density_atomic": 0.1010674486294937,
"volume": 79.1550603926636,
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"formula_full": "Fe4 O4",
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"spacegroup": 225
},
{
"id": "jvasp-50663",
"created_at": "2022-09-04T14:37:07.720893Z",
"updated_at": "2022-09-04T14:37:07.720911Z",
"structure_string": "Li3 Ti1 P2 O8\n1.0\n4.954826 -0.003537 -0.007425\n1.930836 4.563309 -0.000766\n0.042996 0.019957 6.124318\nLi Ti P O\n3 1 2 8\ndirect\n0.671466 0.166277 0.274147 Li\n0.002087 0.497112 0.501604 Li\n0.332783 0.827881 0.729089 Li\n0.002184 0.497016 0.001617 Ti\n0.651627 0.146481 0.762476 P\n0.352743 0.847558 0.240765 P\n0.247005 0.741857 0.443001 O\n0.247748 0.742562 0.030718 O\n0.307251 0.256592 0.768046 O\n0.761736 0.802112 0.768048 O\n0.242648 0.191925 0.235179 O\n0.697127 0.737428 0.235206 O\n0.756640 0.251455 0.972520 O\n0.757363 0.252192 0.560239 O\n",
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"elements": [
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"formula_full": "Li3 Ti1 P2 O8",
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"spacegroup": 12
},
{
"id": "jvasp-53025",
"created_at": "2022-09-04T14:37:07.815247Z",
"updated_at": "2022-09-04T14:37:07.815273Z",
"structure_string": "Fe2 O2\n1.0\n3.036691 0.000000 0.000000\n0.000000 3.036691 0.000000\n0.000000 -0.000000 4.291361\nFe O\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"spacegroup": 225
},
{
"id": "jvasp-87132",
"created_at": "2022-09-04T14:36:15.182062Z",
"updated_at": "2022-09-04T14:36:15.182088Z",
"structure_string": "Fe2 O2\n1.0\n2.906608 -0.000009 4.381849\n1.321177 2.588988 4.381849\n-0.000015 -0.000009 5.258228\nFe O\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
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{
"id": "jvasp-103749",
"created_at": "2022-09-04T14:36:53.601224Z",
"updated_at": "2022-09-04T14:36:53.601261Z",
"structure_string": "Na1 Ni1 O2\n1.0\n2.835898 -0.013120 4.636323\n1.294843 2.523125 4.636313\n-0.033327 -0.020188 5.442079\nNa Ni O\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.269999 0.270004 0.266716 O\n0.729999 0.729997 0.733284 O\n",
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},
{
"id": "jvasp-63056",
"created_at": "2022-09-04T14:35:41.121243Z",
"updated_at": "2022-09-04T14:35:41.121258Z",
"structure_string": "Ca2 B4 H16\n1.0\n-2.924488 2.924488 6.361350\n2.924488 -2.924488 6.361350\n2.924488 2.924488 -6.361350\nCa B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.228325 0.228325 0.000000 B\n0.771675 0.771675 0.000000 B\n0.021675 0.521675 0.500000 B\n0.478325 0.978325 0.500000 B\n0.077172 0.338842 0.485513 H\n0.853329 0.591659 0.514487 H\n0.841659 0.603329 0.014487 H\n0.588842 0.827173 0.985514 H\n0.172828 0.158341 0.761670 H\n0.396671 0.411158 0.238330 H\n0.320571 0.062227 0.535007 H\n0.214434 0.679429 0.741656 H\n0.937774 0.472779 0.258345 H\n0.661158 0.146671 0.738331 H\n0.929429 0.964434 0.241655 H\n0.722779 0.687774 0.758345 H\n0.312227 0.070571 0.035006 H\n0.035566 0.277221 0.964994 H\n0.527221 0.785566 0.464994 H\n0.408341 0.922828 0.261670 H\n",
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}