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{
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{
"id": "jvasp-104038",
"created_at": "2022-09-04T14:37:05.736435Z",
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"structure_string": "H20 C14 O12\n1.0\n6.515802 0.000000 -0.751459\n0.000000 5.231817 0.000000\n0.226283 0.000000 10.995253\nH C O\n20 14 12\ndirect\n0.503243 0.697163 0.282691 H\n0.275527 0.284584 0.410042 H\n0.724472 0.784585 0.589957 H\n0.674287 0.167712 0.554214 H\n0.325712 0.667712 0.445786 H\n0.286562 0.678274 0.020506 H\n0.713437 0.178273 0.979493 H\n0.541928 0.375573 0.058583 H\n0.350222 0.995057 0.072165 H\n0.649777 0.495056 0.927835 H\n0.458071 0.875573 0.941416 H\n0.089051 0.666860 0.257830 H\n0.955293 0.448777 0.834082 H\n0.044706 0.948777 0.165918 H\n0.982806 0.539630 0.616373 H\n0.017193 0.039630 0.383626 H\n0.193345 0.080790 0.589798 H\n0.806654 0.580790 0.410202 H\n0.496756 0.197163 0.717308 H\n0.910948 0.166860 0.742170 H\n0.974839 0.809405 0.223855 C\n0.321295 0.872007 -0.008655 C\n0.678705 0.372007 0.008655 C\n0.139884 0.977511 0.914771 C\n0.860115 0.477511 0.085229 C\n0.025160 0.309405 0.776145 C\n0.108733 0.444259 0.670635 C\n0.542204 0.833947 0.357748 C\n0.234949 0.283500 0.588691 C\n0.765050 0.783500 0.411309 C\n0.457795 0.333947 0.642252 C\n0.443110 0.598516 0.698488 C\n0.556889 0.098516 0.301511 C\n0.891266 0.944259 0.329365 C\n0.193003 0.183495 0.847985 O\n0.806997 0.683495 0.152014 O\n0.198274 0.385692 0.466768 O\n0.801725 0.885692 0.533232 O\n0.607191 0.338226 0.557617 O\n0.416317 0.249396 0.276551 O\n0.583682 0.749396 0.723448 O\n0.248548 0.653705 0.717625 O\n0.751451 0.153705 0.282375 O\n0.035272 0.396026 0.089252 O\n0.392808 0.838227 0.442382 O\n0.964728 0.896026 0.910747 O\n",
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{
"id": "jvasp-42577",
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"structure_string": "Li4 Fe2 O6\n1.0\n-2.851451 0.000016 -0.000318\n-0.000130 -5.784207 0.003448\n1.425176 1.508548 5.941805\nLi Fe O\n4 2 6\ndirect\n0.673627 0.826553 0.347002 Li\n0.993021 0.506758 0.986317 Li\n0.333326 0.166661 0.666659 Li\n0.333329 0.666666 0.666667 Li\n0.672807 0.340021 0.345622 Fe\n0.993852 0.993305 0.987704 Fe\n0.507241 0.229410 0.014503 O\n0.821239 0.408704 0.642504 O\n0.845423 0.924622 0.690825 O\n0.504035 0.781726 0.008026 O\n0.159422 0.103920 0.318823 O\n0.162628 0.551603 0.325302 O\n",
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"volume": 98.01267505513493,
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"formula_full": "Li4 Fe2 O6",
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{
"id": "jvasp-114891",
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"updated_at": "2022-09-04T14:38:42.313476Z",
"structure_string": "Al1 B1 O4\n1.0\n2.591312 -3.098207 0.000000\n2.591312 3.098207 0.000000\n0.000000 0.000000 3.052186\nAl B O\n1 1 4\ndirect\n0.000000 0.000000 0.019622 Al\n0.500000 0.500000 0.322370 B\n0.297792 0.702209 0.064438 O\n0.761421 0.761421 0.516614 O\n0.702209 0.297792 0.064438 O\n0.238580 0.238580 0.516614 O\n",
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},
{
"id": "jvasp-101979",
"created_at": "2022-09-04T14:36:57.936809Z",
"updated_at": "2022-09-04T14:36:57.936840Z",
"structure_string": "H16 Pb1 C10 O4\n1.0\n3.881337 0.020448 0.202307\n0.700357 4.328850 0.414202\n0.182080 0.020700 15.095580\nH Pb C O\n16 1 10 4\ndirect\n0.932073 0.832692 0.584893 H\n0.576216 0.323011 0.566417 H\n0.269900 0.247726 0.077159 H\n0.843760 0.321668 0.041402 H\n0.057936 0.281183 0.239135 H\n0.631843 0.327444 0.201519 H\n0.824247 0.298931 0.401610 H\n0.402877 0.321499 0.362544 H\n0.627505 0.809212 0.469071 H\n0.168349 0.311974 0.523598 H\n0.165199 0.761951 0.146243 H\n0.731619 0.826135 0.111537 H\n0.899085 0.789839 0.309167 H\n0.472233 0.826381 0.272566 H\n0.338087 0.824786 0.630928 H\n0.207079 0.820851 0.431131 H\n0.676408 0.129178 0.835262 Pb\n0.195263 0.594097 0.970663 C\n0.058702 0.437691 0.056770 C\n0.948765 0.644220 0.132663 C\n0.835617 0.457688 0.217221 C\n0.699308 0.654738 0.294027 C\n0.341708 0.470711 0.539528 C\n0.440694 0.660899 0.454199 C\n0.161735 0.675908 0.610742 C\n0.043843 0.503447 0.695658 C\n0.594232 0.463905 0.378600 C\n0.152474 0.479031 0.896798 O\n0.771248 0.624870 0.739462 O\n0.212405 0.234592 0.721012 O\n0.352090 0.821539 0.972655 O\n",
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],
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{
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"updated_at": "2022-09-04T14:36:50.050134Z",
"structure_string": "Li3 Mn1 O4\n1.0\n2.380715 -0.004547 4.303599\n-0.072649 2.822097 9.543026\n-0.067653 -0.019680 9.537328\nLi Mn O\n3 1 4\ndirect\n0.998150 0.004494 -0.004529 Li\n0.998148 0.504464 0.995510 Li\n0.498151 0.004530 0.495439 Li\n0.498130 0.504445 0.495533 Mn\n0.271289 0.004527 0.222268 O\n0.178402 0.504511 0.268716 O\n0.724967 0.004499 0.768652 O\n0.817877 0.504519 0.722193 O\n",
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"volume": 65.35228437336366,
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"formula_full": "Li3 Mn1 O4",
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"formula_anonymous": "AB3C4",
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"spacegroup": 65
},
{
"id": "jvasp-117912",
"created_at": "2022-09-04T14:38:53.894217Z",
"updated_at": "2022-09-04T14:38:53.894255Z",
"structure_string": "Ru1 C2 N1\n1.0\n2.578082 -0.000000 0.000000\n-0.000000 2.578082 0.000000\n-0.000000 0.000000 4.916711\nRu C N\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Ru\n0.000000 0.499999 0.184912 C\n0.499999 0.000000 -0.184912 C\n0.000000 0.000000 0.000000 N\n",
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},
{
"id": "jvasp-36277",
"created_at": "2022-09-04T14:37:10.755851Z",
"updated_at": "2022-09-04T14:37:10.755871Z",
"structure_string": "Fe1 N1\n1.0\n2.014055 2.014055 0.000000\n2.014055 0.000000 -2.014055\n-0.000000 2.014055 -2.014055\nFe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.499999 0.499999 0.499999 N\n",
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},
{
"id": "jvasp-119421",
"created_at": "2022-09-04T14:38:51.194387Z",
"updated_at": "2022-09-04T14:38:51.194412Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.783711 -0.003395 1.098002\n0.729989 6.324760 0.434743\n-0.042458 0.014753 7.551388\nLi Mn Co O\n8 2 4 14\ndirect\n0.920231 0.155350 0.632920 Li\n0.644268 0.704040 0.229636 Li\n0.509902 0.998507 0.501563 Li\n0.215708 0.564947 0.075886 Li\n0.060327 0.845442 0.365195 Li\n0.774707 0.436604 0.920296 Li\n0.372761 0.293051 0.772967 Li\n0.715869 0.569217 0.568380 Li\n0.999746 0.001466 0.001132 Mn\n0.146494 0.707850 0.707430 Mn\n0.572202 0.856587 0.856029 Co\n0.284649 0.430303 0.430176 Co\n0.428037 0.142921 0.144029 Co\n0.856291 0.287463 0.287926 Co\n0.449157 0.593043 0.821559 O\n0.249766 0.984505 0.763892 O\n0.974590 0.550864 0.322316 O\n0.829409 0.853764 0.626101 O\n0.535391 0.407552 0.193843 O\n0.371615 0.708200 0.474621 O\n0.107833 0.266570 0.046410 O\n0.680448 0.128071 0.906191 O\n0.603962 0.290387 0.517534 O\n0.319403 0.875107 0.094531 O\n0.179905 0.164124 0.376494 O\n0.891439 0.731210 0.952910 O\n0.751631 0.011931 0.236139 O\n0.054253 0.440907 0.673888 O\n",
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{
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"created_at": "2022-09-04T14:36:49.536981Z",
"updated_at": "2022-09-04T14:36:49.537014Z",
"structure_string": "H8 C6 O4\n1.0\n4.935872 0.052383 0.172686\n0.401289 4.420484 1.821953\n0.023416 -0.154886 6.684113\nH C O\n8 6 4\ndirect\n0.958062 0.269293 0.266393 H\n0.528170 0.951294 0.234492 H\n0.286984 0.094128 0.022937 H\n0.201406 0.108150 0.477849 H\n0.701406 0.601548 0.490944 H\n0.786954 0.132961 0.945870 H\n0.028155 0.201488 0.734333 H\n0.458050 0.551389 0.702385 H\n0.676346 0.530741 0.665920 C\n0.818746 0.738517 0.740572 C\n0.810496 0.214158 0.771294 C\n0.310513 0.000901 0.197516 C\n0.318755 0.494569 0.228231 C\n0.176356 0.212195 0.302871 C\n0.539534 0.518257 0.136755 O\n0.181025 0.721035 0.278207 O\n0.681002 0.014923 0.690610 O\n0.039533 0.670782 0.832044 O\n",
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{
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"updated_at": "2022-09-04T14:37:27.563650Z",
"structure_string": "Li1 Al1 O2\n1.0\n2.699700 -0.005651 4.224011\n1.230309 2.403070 4.224011\n-0.009263 -0.005651 5.013040\nLi Al O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500000 0.499999 Al\n0.238757 0.238757 0.238756 O\n0.761244 0.761244 0.761242 O\n",
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},
{
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"created_at": "2022-09-04T14:38:43.130999Z",
"updated_at": "2022-09-04T14:38:43.131023Z",
"structure_string": "Al1 B1 N2\n1.0\n2.812286 0.000000 -0.000000\n-0.000000 2.812286 -0.000000\n0.000000 0.000000 4.133495\nAl B N\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Al\n0.000000 0.000000 0.000000 B\n0.500001 0.000000 0.210886 N\n0.000000 0.500001 0.789112 N\n",
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{
"id": "jvasp-112915",
"created_at": "2022-09-04T14:38:44.373038Z",
"updated_at": "2022-09-04T14:38:44.373064Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.237751 -0.091924 0.848062\n-9.174160 4.544754 0.848062\n-0.027466 -0.114989 4.965373\nLi Mn Co O\n8 2 4 14\ndirect\n0.784871 0.215129 0.499999 Li\n0.215128 0.784870 0.500000 Li\n0.640431 0.359569 0.499999 Li\n0.064561 0.935437 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.935438 0.064563 0.499999 Li\n0.359568 0.640431 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.860197 0.139804 -0.000000 Mn\n0.139803 0.860196 -0.000000 Mn\n0.570498 0.429502 -0.000000 Co\n0.429502 0.570498 -0.000000 Co\n0.285806 0.714193 -0.000000 Co\n0.714193 0.285807 -0.000000 Co\n0.168920 0.321986 0.770569 O\n0.545916 0.976267 0.219959 O\n0.976267 0.545917 0.219959 O\n0.401621 0.114294 0.221338 O\n0.831079 0.678014 0.229430 O\n0.279226 0.279226 0.226365 O\n0.678014 0.831079 0.229430 O\n0.114294 0.401621 0.221338 O\n0.023732 0.454083 0.780040 O\n0.454083 0.023733 0.780040 O\n0.885706 0.598379 0.778661 O\n0.321985 0.168921 0.770569 O\n0.720773 0.720774 0.773634 O\n0.598378 0.885705 0.778661 O\n",
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]
}