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{
"id": "jvasp-34921",
"created_at": "2022-09-04T14:37:17.765257Z",
"updated_at": "2022-09-04T14:37:17.765267Z",
"structure_string": "Na4 Ti2 Cl8\n1.0\n3.714849 0.000000 0.000000\n0.000000 6.924404 -0.000000\n0.000000 -0.000000 12.040286\nNa Ti Cl\n4 2 8\ndirect\n0.000000 0.413498 0.320954 Na\n0.000000 0.586501 0.679046 Na\n0.000000 0.913498 0.179046 Na\n0.000000 0.086502 0.820955 Na\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.256091 0.042674 Cl\n0.500000 0.880668 0.698481 Cl\n0.500000 0.119332 0.301519 Cl\n0.500000 0.380668 0.801519 Cl\n0.500000 0.619331 0.198481 Cl\n0.000000 0.756091 0.457326 Cl\n0.000000 0.243908 0.542674 Cl\n0.000000 0.743908 0.957326 Cl\n",
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{
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{
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"structure_string": "P3 S1\n1.0\n3.088364 -0.000000 -0.988933\n-0.013687 4.208212 -0.042742\n0.291374 -0.218491 6.226770\nP S\n3 1\ndirect\n0.639314 0.211960 0.278630 P\n0.093728 0.525437 0.187457 P\n0.901584 0.466983 0.803174 P\n0.365367 0.795620 0.730739 S\n",
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{
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"updated_at": "2022-09-04T14:38:34.224931Z",
"structure_string": "K2 Ge2 Cl6\n1.0\n6.360837 -0.147056 3.427449\n1.980182 6.046549 3.427449\n-0.207914 -0.147056 7.222494\nK Ge Cl\n2 2 6\ndirect\n0.264327 0.264326 0.264326 K\n0.764327 0.764325 0.764326 K\n0.999802 0.999800 0.999801 Ge\n0.499802 0.499800 0.499801 Ge\n0.217602 0.862875 0.683896 Cl\n0.862876 0.683896 0.217602 Cl\n0.683897 0.217600 0.862875 Cl\n0.183897 0.362874 0.717601 Cl\n0.717602 0.183895 0.362875 Cl\n0.362875 0.717601 0.183896 Cl\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-120165",
"created_at": "2022-09-04T14:38:53.107342Z",
"updated_at": "2022-09-04T14:38:53.107368Z",
"structure_string": "Sc1 O1 F1\n1.0\n3.771655 -0.000000 -0.000000\n-1.885828 3.266349 0.000000\n-0.000000 -0.000000 4.262725\nSc O F\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sc\n0.333334 0.666667 0.000000 O\n0.000000 0.000000 0.000000 F\n",
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{
"id": "jvasp-48594",
"created_at": "2022-09-04T14:36:59.038680Z",
"updated_at": "2022-09-04T14:36:59.038702Z",
"structure_string": "Li5 Mn1 O1 F5\n1.0\n3.223243 -0.000060 0.000051\n-1.611673 2.791500 -0.000000\n0.000184 0.000106 14.643029\nLi Mn O F\n5 1 1 5\ndirect\n0.333387 0.666744 0.338543 Li\n0.333362 0.666732 0.657778 Li\n0.666664 0.333382 0.178831 Li\n0.666713 0.333408 0.498187 Li\n0.666607 0.333355 0.818785 Li\n0.333230 0.666666 0.991820 Mn\n0.666583 0.333343 0.952937 O\n0.333402 0.666752 0.465728 F\n0.333348 0.666725 0.146933 F\n0.333301 0.666702 0.785066 F\n0.666710 0.333406 0.306040 F\n0.666691 0.333397 0.625353 F\n",
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"formula_full": "Li5 Mn1 O1 F5",
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"created_at": "2022-09-04T14:37:11.041988Z",
"updated_at": "2022-09-04T14:37:11.042011Z",
"structure_string": "Mn2 H8 O4 F8\n1.0\n0.000000 5.037447 -0.000000\n-6.481744 2.518723 -0.323716\n-0.769279 -2.518723 6.677202\nMn H O F\n2 8 4 8\ndirect\n0.497636 0.749998 0.749997 Mn\n0.497636 0.250001 0.250002 Mn\n0.108045 0.899475 0.415531 H\n0.640367 0.826223 0.109966 H\n0.354893 0.673785 0.390030 H\n0.403284 0.399472 0.915530 H\n0.887223 0.600528 0.084470 H\n0.638648 0.326214 0.609969 H\n0.356625 0.173777 0.890033 H\n0.591988 0.100525 0.584468 H\n0.515109 0.246371 0.523732 O\n0.480159 0.253625 0.976262 O\n0.237746 0.753628 0.476267 O\n0.757521 0.746374 0.023738 O\n0.908013 0.121198 0.334574 F\n0.457496 0.999146 0.225480 F\n0.694637 0.878801 0.665425 F\n0.300628 0.621188 0.834546 F\n0.537779 0.500858 0.274537 F\n0.764101 0.499141 0.725462 F\n0.087269 0.378811 0.165453 F\n0.231161 0.000853 0.774520 F\n",
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"formula_full": "Mn2 H8 O4 F8",
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{
"id": "jvasp-54711",
"created_at": "2022-09-04T14:38:13.520667Z",
"updated_at": "2022-09-04T14:38:13.520693Z",
"structure_string": "H3 Br1 O1\n1.0\n4.123931 -0.186926 -0.129717\n1.195963 3.952062 -0.136532\n1.179669 0.840986 3.872639\nH Br O\n3 1 1\ndirect\n0.669047 0.687614 0.350144 H\n0.669225 0.354879 0.682744 H\n0.336255 0.687771 0.682776 H\n0.974659 0.993256 0.988566 Br\n0.520744 0.539334 0.534492 O\n",
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"formula_full": "H3 Br1 O1",
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},
{
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"created_at": "2022-09-04T14:38:45.490293Z",
"updated_at": "2022-09-04T14:38:45.490330Z",
"structure_string": "Li3 V2 C4 O12\n1.0\n4.944287 -0.013822 1.560300\n2.406969 5.637741 0.700112\n-0.022753 0.034297 8.527299\nLi V C O\n3 2 4 12\ndirect\n0.262399 0.524332 0.148120 Li\n0.163043 0.054202 0.333944 Li\n0.554941 0.933921 0.683700 Li\n0.887338 0.998375 0.997623 V\n0.630321 0.503692 0.508569 V\n0.742087 0.397101 0.207135 C\n0.722716 0.893962 0.299622 C\n0.917991 0.113304 0.705190 C\n0.332730 0.606684 0.793390 C\n0.695562 0.079477 0.810118 O\n0.242636 0.565550 0.678038 O\n0.598607 0.601180 0.747887 O\n0.908966 0.172293 0.554489 O\n0.618853 0.842834 0.450587 O\n0.982740 0.898205 0.241031 O\n0.959285 0.396793 0.255323 O\n0.567880 0.943696 0.195419 O\n0.135978 0.079242 0.759958 O\n0.762401 0.340302 0.063028 O\n0.489248 0.458359 0.318810 O\n0.167709 0.656962 0.943506 O\n",
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{
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"created_at": "2022-09-04T14:37:28.231275Z",
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"structure_string": "H3 Br1 O1\n1.0\n2.536606 1.464510 2.914355\n-2.536606 1.464510 2.914355\n-0.000000 -2.929020 2.914355\nH Br O\n3 1 1\ndirect\n0.303072 0.635806 0.303072 H\n0.303072 0.303072 0.635806 H\n0.635806 0.303072 0.303072 H\n-0.002507 -0.002507 -0.002507 Br\n0.451411 0.451411 0.451411 O\n",
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{
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"created_at": "2022-09-04T14:36:44.955928Z",
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"structure_string": "Na2 Sc1 Cu1 Cl6\n1.0\n6.050101 -0.000000 3.493027\n2.016700 5.704090 3.493027\n-0.000000 -0.000000 6.986055\nNa Sc Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cu\n0.749993 0.250007 0.250007 Cl\n0.250007 0.250007 0.749993 Cl\n0.250007 0.749992 0.749992 Cl\n0.250007 0.749993 0.250007 Cl\n0.749993 0.250007 0.749992 Cl\n0.749993 0.749993 0.250007 Cl\n",
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