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"results": [
{
"id": "jvasp-88720",
"created_at": "2022-09-04T14:36:06.662160Z",
"updated_at": "2022-09-04T14:36:06.662186Z",
"structure_string": "K11 Li1 Mn4 O16\n1.0\n7.312291 0.000000 -2.998409\n-1.229500 7.208184 -2.998409\n-0.068280 -0.080912 10.249017\nK Li Mn O\n11 1 4 16\ndirect\n0.286672 0.286672 0.573344 K\n0.500000 -0.000000 -0.000000 K\n0.250000 0.750000 0.500000 K\n0.926110 0.926109 0.244188 K\n0.073890 0.681921 0.755811 K\n0.713328 0.713328 0.426656 K\n-0.000000 0.500000 -0.000000 K\n0.681921 0.073890 0.755812 K\n0.318079 0.318079 0.244189 K\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Li\n0.615112 0.615112 0.748953 Mn\n0.384888 0.866158 0.251047 Mn\n0.866159 0.384888 0.251047 Mn\n0.133841 0.133841 0.748953 Mn\n0.918967 0.203421 0.122388 O\n0.889130 0.583336 0.225214 O\n0.991749 0.991749 0.559178 O\n0.663916 0.416664 0.774786 O\n0.081033 0.081033 0.877612 O\n0.567427 0.567427 0.559178 O\n0.203421 0.918967 0.122388 O\n0.358121 0.110870 0.774786 O\n0.008251 0.432572 0.440822 O\n0.336085 0.641879 0.225214 O\n0.641879 0.336085 0.225214 O\n0.796578 0.796578 0.877611 O\n0.432572 0.008251 0.440822 O\n0.110870 0.358121 0.774786 O\n0.583336 0.889130 0.225214 O\n0.416664 0.663916 0.774786 O\n",
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"formula_full": "K11 Li1 Mn4 O16",
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{
"id": "jvasp-89895",
"created_at": "2022-09-04T14:35:59.586806Z",
"updated_at": "2022-09-04T14:35:59.586839Z",
"structure_string": "Nd2 Fe2 Se2 O3\n1.0\n4.018824 -0.000000 0.000000\n-0.000000 4.018824 0.000000\n-2.009413 -2.009413 9.352161\nNd Fe Se O\n2 2 2 3\ndirect\n0.314445 0.314445 0.628890 Nd\n0.685555 0.685555 0.371110 Nd\n-0.000000 0.499999 -0.000000 Fe\n0.499999 -0.000000 -0.000000 Fe\n0.902110 0.902110 0.804220 Se\n0.097890 0.097890 0.195780 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 9,
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"density_atomic": 0.05958439862026506,
"volume": 151.0462505018728,
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"formula_full": "Nd2 Fe2 Se2 O3",
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"formula_anonymous": "A2B2C2D3",
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{
"id": "jvasp-85664",
"created_at": "2022-09-04T14:35:58.522485Z",
"updated_at": "2022-09-04T14:35:58.522510Z",
"structure_string": "K2 H6 C4 O6\n1.0\n3.730971 0.012133 0.067720\n-0.240307 5.456405 -1.071359\n0.188542 -0.079984 9.698053\nK H C O\n2 6 4 6\ndirect\n0.880778 0.707030 0.874189 K\n0.119220 0.292971 0.125810 K\n0.016330 0.164739 0.602551 H\n0.983668 0.835262 0.397449 H\n0.158407 0.471605 0.584326 H\n0.841592 0.528396 0.415674 H\n0.439589 0.218073 0.518632 H\n0.560409 0.781928 0.481368 H\n0.754380 0.704999 0.397595 C\n0.245619 0.295002 0.602405 C\n0.495402 0.151262 0.797453 C\n0.504597 0.848739 0.202546 C\n0.662142 0.217272 0.911004 O\n0.408702 0.350146 0.738090 O\n0.591296 0.649855 0.261909 O\n0.404573 0.938740 0.735253 O\n0.595425 0.061261 0.264746 O\n0.337856 0.782730 0.088996 O\n",
"nsites": 18,
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"elements": [
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"volume": 197.0676914890782,
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"formula_full": "K2 H6 C4 O6",
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"formula_anonymous": "AB2C3D3",
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},
{
"id": "jvasp-86714",
"created_at": "2022-09-04T14:35:53.741418Z",
"updated_at": "2022-09-04T14:35:53.741446Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n4.309751 -0.002757 6.462673\n1.955188 3.840727 6.462673\n-0.004500 -0.002757 7.767888\nK Na B H\n1 1 2 8\ndirect\n0.352892 0.352892 0.352892 K\n0.857091 0.857089 0.857090 Na\n0.592954 0.592953 0.592953 B\n0.102764 0.102764 0.102764 B\n0.374669 0.858742 0.128120 H\n0.537188 0.537187 0.537187 H\n0.858742 0.128120 0.374669 H\n0.758998 0.316112 0.761152 H\n0.128121 0.374669 0.858742 H\n0.046698 0.046698 0.046698 H\n0.316113 0.761151 0.758997 H\n0.761152 0.758997 0.316112 H\n",
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{
"id": "jvasp-97842",
"created_at": "2022-09-04T14:35:58.711935Z",
"updated_at": "2022-09-04T14:35:58.711959Z",
"structure_string": "Sr1 V2 P4 O14\n1.0\n4.812940 0.040190 0.182164\n2.094967 6.854603 0.005715\n-0.026599 0.002216 7.821208\nSr V P O\n1 2 4 14\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.618124 0.769524 0.299719 P\n0.381876 0.230476 0.700281 P\n0.042648 0.378675 0.245323 P\n0.957352 0.621326 0.754678 P\n0.814204 0.552312 0.351423 O\n0.619053 0.182834 0.561557 O\n0.380947 0.817167 0.438444 O\n0.099383 0.190615 0.343722 O\n0.492794 0.238113 0.883527 O\n0.507207 0.761888 0.116473 O\n0.185796 0.447688 0.648578 O\n0.893316 0.352875 0.078078 O\n0.106684 0.647125 0.921922 O\n0.680373 0.565234 0.788691 O\n0.319628 0.434766 0.211310 O\n0.900617 0.809385 0.656279 O\n0.817987 0.902330 0.294446 O\n0.182013 0.097671 0.705554 O\n",
"nsites": 21,
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"elements": [
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"density_atomic": 0.08158402754102062,
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"formula_full": "Sr1 V2 P4 O14",
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},
{
"id": "jvasp-48411",
"created_at": "2022-09-04T14:36:02.757140Z",
"updated_at": "2022-09-04T14:36:02.757159Z",
"structure_string": "Li3 Ti1 V2 O6\n1.0\n2.902388 0.001945 -0.000098\n-0.003836 5.937395 -0.068112\n-1.450072 -1.553351 6.277763\nLi Ti V O\n3 1 2 6\ndirect\n0.331349 0.166728 0.666660 Li\n0.000064 0.495426 0.004117 Li\n0.662613 0.837965 0.329174 Li\n0.331329 0.666720 0.666656 Ti\n0.665675 0.336314 0.335346 V\n0.996968 0.997091 0.997949 V\n0.493732 0.753506 0.991470 O\n0.160258 0.093814 0.324504 O\n0.168916 0.579904 0.341833 O\n0.829677 0.425097 0.663343 O\n0.502387 0.239597 0.008791 O\n0.832975 0.908341 0.669952 O\n",
"nsites": 12,
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],
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"volume": 107.87464594630966,
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"formula_full": "Li3 Ti1 V2 O6",
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"formula_anonymous": "AB2C3D6",
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},
{
"id": "jvasp-42632",
"created_at": "2022-09-04T14:36:08.132311Z",
"updated_at": "2022-09-04T14:36:08.132339Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n4.994036 -0.069242 1.242615\n-0.159591 4.991766 1.243239\n0.110420 0.111259 10.318664\nLi Mn Si O\n4 2 4 12\ndirect\n0.931596 0.365898 0.166333 Li\n0.847549 0.781506 0.334823 Li\n0.217254 0.151209 0.666129 Li\n0.632863 0.067171 0.834617 Li\n0.788697 0.210063 0.500474 Mn\n0.038353 -0.039589 0.000472 Mn\n0.449527 0.027848 0.166055 Si\n0.365038 0.443816 0.334893 Si\n0.554937 0.633725 0.666063 Si\n-0.029095 0.549235 0.834901 Si\n0.242478 0.727627 0.721969 O\n0.714116 0.699233 0.779134 O\n0.553385 0.313333 0.672779 O\n0.690733 0.826714 0.514274 O\n0.172043 0.308033 0.486682 O\n0.408491 0.043328 0.014039 O\n0.299529 0.284634 0.221825 O\n0.271136 0.756276 0.278988 O\n0.763110 0.022830 0.173018 O\n-0.024075 0.235653 0.827936 O\n0.685429 0.445377 0.328176 O\n0.955417 0.590268 -0.013082 O\n",
"nsites": 22,
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"elements": [
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"density": 2.8700759849210344,
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"volume": 255.7132895286151,
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"formula_full": "Li4 Mn2 Si4 O12",
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{
"id": "jvasp-95689",
"created_at": "2022-09-04T14:35:52.503132Z",
"updated_at": "2022-09-04T14:35:52.503151Z",
"structure_string": "Ca10 P6 Cl2 O24\n1.0\n9.723931 -0.000000 0.000000\n-4.861965 8.421170 -0.000000\n-0.000000 0.000000 6.704572\nCa P Cl O\n10 6 2 24\ndirect\n0.013727 0.753331 0.750000 Ca\n0.260396 0.013727 0.250000 Ca\n0.666667 0.333333 0.504231 Ca\n0.246669 0.260396 0.750000 Ca\n0.753331 0.739604 0.250000 Ca\n0.333333 0.666667 0.495769 Ca\n0.986272 0.246669 0.250000 Ca\n0.666667 0.333333 0.995769 Ca\n0.333333 0.666667 0.004231 Ca\n0.739603 0.986273 0.750000 Ca\n0.967494 0.589150 0.250000 P\n0.410850 0.378346 0.250000 P\n0.621654 0.032505 0.250000 P\n0.032505 0.410850 0.750000 P\n0.589150 0.621654 0.750000 P\n0.378345 0.967495 0.750000 P\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.403649 0.533278 0.750000 O\n0.466722 0.870370 0.750000 O\n0.731473 0.086539 0.435875 O\n0.086539 0.355066 0.564125 O\n0.644934 0.731473 0.935875 O\n0.147486 0.650857 0.250000 O\n0.731473 0.086539 0.064125 O\n0.355065 0.268527 0.435875 O\n0.870370 0.403649 0.250000 O\n0.086539 0.355066 0.935875 O\n0.596351 0.466722 0.250000 O\n0.533278 0.129630 0.250000 O\n0.129630 0.596351 0.750000 O\n0.913461 0.644934 0.435875 O\n0.268526 0.913461 0.564125 O\n0.913461 0.644934 0.064125 O\n0.852514 0.349143 0.750000 O\n0.355065 0.268527 0.064125 O\n0.503371 0.852514 0.250000 O\n0.349142 0.496629 0.250000 O\n0.644934 0.731473 0.564125 O\n0.496629 0.147486 0.750000 O\n0.268526 0.913461 0.935875 O\n0.650857 0.503371 0.750000 O\n",
"nsites": 42,
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{
"id": "jvasp-42605",
"created_at": "2022-09-04T14:35:59.577957Z",
"updated_at": "2022-09-04T14:35:59.577985Z",
"structure_string": "Li8 Co2 O6 F2\n1.0\n3.880402 3.607246 0.000000\n-3.880402 3.607246 0.000000\n0.000000 0.000000 6.655405\nLi Co O F\n8 2 6 2\ndirect\n0.164579 0.839657 0.495613 Li\n0.160344 0.835422 0.995613 Li\n0.584908 0.894983 0.240386 Li\n0.105018 0.415093 0.740386 Li\n0.415093 0.105018 0.740386 Li\n0.894983 0.584908 0.240386 Li\n0.835422 0.160344 0.995613 Li\n0.839657 0.164579 0.495613 Li\n0.381946 0.381946 0.320260 Co\n0.618055 0.618055 0.820260 Co\n0.267312 0.680548 0.248089 O\n0.319453 0.732689 0.748089 O\n0.791927 0.791927 0.012666 O\n0.208074 0.208074 0.512667 O\n0.732689 0.319453 0.748089 O\n0.680548 0.267312 0.248089 O\n0.189306 0.189306 0.948900 F\n0.810695 0.810695 0.448899 F\n",
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{
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"created_at": "2022-09-04T14:35:53.764261Z",
"updated_at": "2022-09-04T14:35:53.764285Z",
"structure_string": "Na2 Ag2 C4 N4\n1.0\n3.601175 0.000000 -0.000000\n-1.800588 3.113252 0.109109\n-0.000000 1.244305 18.289159\nNa Ag C N\n2 2 4 4\ndirect\n0.862307 0.000000 0.250000 Na\n0.137695 1.000000 0.750000 Na\n-0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.537726 0.422755 0.110689 C\n0.114970 0.577245 0.389311 C\n0.462276 0.577246 0.889311 C\n0.885031 0.422756 0.610689 C\n0.555717 0.378634 0.174326 N\n0.444284 0.621367 0.825674 N\n0.822918 0.378635 0.674326 N\n0.177083 0.621366 0.325674 N\n",
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{
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"created_at": "2022-09-04T14:35:53.990137Z",
"updated_at": "2022-09-04T14:35:53.990161Z",
"structure_string": "Cd2 P4 H8 O8\n1.0\n5.202972 0.000000 -1.877546\n-0.472320 6.343765 -1.308870\n-0.041444 0.026906 8.033048\nCd P H O\n2 4 8 8\ndirect\n0.175763 0.750001 0.000000 Cd\n0.824236 0.250000 -0.000000 Cd\n0.545767 0.772532 0.713167 P\n0.832600 0.727469 0.286833 P\n0.454233 0.227469 0.286833 P\n0.167400 0.272532 0.713167 P\n0.614478 0.566283 0.659177 H\n0.077582 0.356543 0.554318 H\n0.385522 0.433719 0.340823 H\n0.044700 0.066282 0.659178 H\n0.476736 0.856543 0.554318 H\n0.922418 0.643459 0.445682 H\n0.523264 0.143458 0.445682 H\n0.955301 0.933719 0.340823 H\n0.690215 0.237128 0.232796 O\n0.457419 0.262873 0.767204 O\n0.939414 0.604928 0.146373 O\n0.206959 0.104928 0.146374 O\n0.060586 0.395073 0.853627 O\n0.542581 0.737128 0.232796 O\n0.309785 0.762874 0.767204 O\n0.793041 0.895073 0.853627 O\n",
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{
"id": "jvasp-85679",
"created_at": "2022-09-04T14:35:55.556054Z",
"updated_at": "2022-09-04T14:35:55.556082Z",
"structure_string": "Li2 H4 I2 O2\n1.0\n6.301453 0.000448 0.000000\n-0.000188 5.561005 0.000000\n0.000000 0.000000 4.346521\nLi H I O\n2 4 2 2\ndirect\n0.253160 0.746941 0.500000 Li\n0.753168 0.746503 0.500000 Li\n0.003440 0.400757 0.320892 H\n0.003440 0.400757 0.679108 H\n0.503319 0.092622 0.320884 H\n0.503319 0.092622 0.679116 H\n0.003237 0.005899 0.000000 I\n0.503268 0.487513 0.000000 I\n0.003370 0.511687 0.500000 O\n0.503274 0.981703 0.500000 O\n",
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"formula_anonymous": "ABCD2",
"energy_above_hull": 1.4568479549999998,
"spacegroup": 51
}
]
}