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{
"id": "jvasp-80008",
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{
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{
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"updated_at": "2022-09-04T14:36:18.426050Z",
"structure_string": "Fe14 S16\n1.0\n6.391153 0.000000 1.927387\n3.138334 5.627998 1.153506\n0.192440 0.255113 10.921997\nFe S\n14 16\ndirect\n0.897959 0.290683 0.030206 Fe\n0.302493 0.250000 0.250000 Fe\n0.697506 0.750000 0.750001 Fe\n0.497145 0.714756 0.999236 Fe\n0.502854 0.285243 0.000765 Fe\n0.288862 0.214757 0.499236 Fe\n0.325769 0.780070 0.269870 Fe\n0.711137 0.785243 0.500766 Fe\n0.674230 0.219930 0.730131 Fe\n0.124291 0.280069 0.769870 Fe\n0.281150 0.790683 0.530206 Fe\n0.102039 0.709317 0.969795 Fe\n0.718848 0.209317 0.469795 Fe\n0.875708 0.719930 0.230131 Fe\n0.448186 0.569621 0.848053 S\n0.575781 0.918339 0.128770 S\n0.122890 0.581661 0.371231 S\n0.634139 0.069621 0.348053 S\n0.551813 0.430379 0.151948 S\n0.365860 0.930379 0.651948 S\n0.109366 0.086276 0.388199 S\n0.094208 0.913562 0.118305 S\n0.890633 0.913724 0.611802 S\n0.916159 0.586275 0.888200 S\n0.373925 0.413561 0.618305 S\n0.905791 0.086438 0.881696 S\n0.626074 0.586439 0.381696 S\n0.877109 0.418339 0.628770 S\n0.083840 0.413724 0.111802 S\n0.424218 0.081661 0.871231 S\n",
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{
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"created_at": "2022-09-04T14:37:35.561984Z",
"updated_at": "2022-09-04T14:37:35.562007Z",
"structure_string": "Nb4 Co4 P4\n1.0\n3.621235 -0.000000 0.000000\n0.000000 6.165475 0.000000\n0.000000 0.000000 6.995194\nNb Co P\n4 4 4\ndirect\n0.250000 0.525452 0.672063 Nb\n0.250000 0.025451 0.827936 Nb\n0.750001 0.974549 0.172064 Nb\n0.750001 0.474549 0.327936 Nb\n0.750001 0.353735 0.937566 Co\n0.250000 0.146265 0.437567 Co\n0.750001 0.853735 0.562433 Co\n0.250000 0.646266 0.062433 Co\n0.250000 0.779109 0.379894 P\n0.250000 0.279109 0.120106 P\n0.750001 0.220891 0.620105 P\n0.750001 0.720892 0.879894 P\n",
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{
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"created_at": "2022-09-04T14:38:07.464886Z",
"updated_at": "2022-09-04T14:38:07.464897Z",
"structure_string": "Ta2 As2 O8\n1.0\n0.000000 5.092222 -0.055126\n5.542487 0.000000 0.000000\n0.000000 -1.012138 -5.522698\nTa As O\n2 2 8\ndirect\n0.504055 0.335041 0.509048 Ta\n0.504055 0.664960 0.009048 Ta\n0.048112 0.187767 0.932393 As\n0.048112 0.812233 0.432392 As\n0.791570 0.867210 0.161722 O\n0.661478 0.396006 0.226405 O\n0.264297 0.606556 0.287776 O\n0.258627 0.077349 0.397609 O\n0.791570 0.132791 0.661723 O\n0.661478 0.603995 0.726405 O\n0.264297 0.393445 0.787776 O\n0.258627 0.922651 0.897609 O\n",
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"spacegroup": 7
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{
"id": "jvasp-70014",
"created_at": "2022-09-04T14:36:11.634365Z",
"updated_at": "2022-09-04T14:36:11.634385Z",
"structure_string": "Ti1 Be2 Ge1\n1.0\n3.184909 0.000000 -0.000000\n0.000000 3.184909 -0.000000\n-0.000000 -0.000000 5.132451\nTi Be Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.749662 Be\n0.000000 0.000000 0.250338 Be\n0.500000 0.500000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:38:03.487644Z",
"updated_at": "2022-09-04T14:38:03.487671Z",
"structure_string": "Zr8 Co16 P12\n1.0\n6.066459 -10.507414 -0.000000\n6.066459 10.507414 0.000000\n-0.000000 0.000000 3.675379\nZr Co P\n8 16 12\ndirect\n0.556505 0.556505 0.000000 Zr\n0.000000 0.443496 0.000000 Zr\n0.443496 0.000000 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.176930 0.176930 0.500000 Zr\n0.000000 0.823070 0.500000 Zr\n0.823070 0.000000 0.500000 Zr\n0.723047 0.723047 0.500000 Co\n0.178969 0.371853 0.000000 Co\n0.276953 0.000000 0.500000 Co\n0.000000 0.276953 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.873797 0.518411 0.500000 Co\n0.481590 0.355387 0.500000 Co\n0.644613 0.126203 0.500000 Co\n0.126203 0.644613 0.500000 Co\n0.518411 0.873797 0.500000 Co\n0.807115 0.628147 0.000000 Co\n0.821032 0.192885 0.000000 Co\n0.371853 0.178969 0.000000 Co\n0.192885 0.821032 0.000000 Co\n0.628147 0.807115 0.000000 Co\n0.355387 0.481590 0.500000 Co\n0.175604 0.000000 0.000000 P\n0.000000 0.175604 0.000000 P\n0.307787 0.826086 0.500000 P\n0.173914 0.481701 0.500000 P\n0.481701 0.173914 0.500000 P\n0.000000 0.653988 0.000000 P\n0.692213 0.518300 0.500000 P\n0.653988 0.000000 0.000000 P\n0.346012 0.346012 0.000000 P\n0.518300 0.692213 0.500000 P\n0.826086 0.307787 0.500000 P\n0.824396 0.824396 0.000000 P\n",
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{
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"structure_string": "Nd2 Co2 Sb2 Pb2 O12\n1.0\n5.781385 0.000000 0.000000\n0.000000 4.644015 3.230815\n0.000000 0.047116 9.728293\nNd Co Sb Pb O\n2 2 2 2 12\ndirect\n0.807584 0.267683 0.247641 Nd\n0.192417 0.267683 0.747640 Nd\n0.738932 0.504163 0.497517 Co\n0.261069 0.504164 0.997517 Co\n0.740603 -0.000068 0.000742 Sb\n0.259398 -0.000068 0.500741 Sb\n0.726807 0.748062 0.747484 Pb\n0.273194 0.748061 0.247485 Pb\n0.019179 0.744224 0.041849 O\n0.980821 0.744225 0.541849 O\n0.778357 0.179246 0.752150 O\n0.221644 0.179245 0.252150 O\n0.735872 0.853137 0.246644 O\n0.553464 0.656717 0.049493 O\n0.962390 0.311486 0.963023 O\n0.037611 0.311485 0.463023 O\n0.548455 0.235359 0.453451 O\n0.446537 0.656717 0.549492 O\n0.264129 0.853138 0.746643 O\n0.451545 0.235359 0.953450 O\n",
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{
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"structure_string": "Ba2 Tb2 Mn4 O10\n1.0\n5.559772 -0.000000 -0.000000\n0.000000 5.559772 -0.000000\n-0.000000 -0.000000 7.579282\nTb Ba Mn O\n2 2 4 10\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.728952 Mn\n0.500000 0.000000 0.271048 Mn\n0.000000 0.500000 0.271063 Mn\n0.500000 0.000000 0.728937 Mn\n0.250000 0.750000 0.689780 O\n0.250000 0.250000 0.689780 O\n0.750000 0.750000 0.689780 O\n0.750000 0.250000 0.689780 O\n0.750000 0.250000 0.310220 O\n0.250000 0.250000 0.310220 O\n0.750000 0.750000 0.310220 O\n0.000000 0.500000 0.000001 O\n0.250000 0.750000 0.310220 O\n0.500000 0.000000 -0.000001 O\n",
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},
{
"id": "jvasp-116134",
"created_at": "2022-09-04T14:38:41.414582Z",
"updated_at": "2022-09-04T14:38:41.414611Z",
"structure_string": "Li2 P1 H1\n1.0\n-2.117110 3.219015 1.909938\n2.117110 -3.219015 1.909938\n2.117110 3.219015 -1.909938\nLi P H\n2 1 1\ndirect\n0.320100 0.607373 0.712724 Li\n0.894647 0.607373 0.287274 Li\n0.094204 0.094204 -0.000000 P\n0.471045 0.471045 -0.000000 H\n",
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{
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"created_at": "2022-09-04T14:38:01.290150Z",
"updated_at": "2022-09-04T14:38:01.290171Z",
"structure_string": "Mg4 Ti4 Ge8 O24\n1.0\n5.119917 0.000000 -1.575384\n0.000000 8.484471 0.000000\n-0.206084 0.000000 12.049148\nMg Ti Ge O\n4 4 8 24\ndirect\n0.411672 0.457705 0.257713 Mg\n0.088329 0.957705 0.742287 Mg\n0.588329 0.542295 0.742288 Mg\n0.911672 0.042295 0.257713 Mg\n0.917550 0.656235 0.275185 Ti\n0.582451 0.156235 0.724816 Ti\n0.082451 0.343765 0.724816 Ti\n0.417550 0.843765 0.275184 Ti\n0.714154 0.150381 0.469183 Ge\n0.785848 0.650381 0.530818 Ge\n0.214153 0.349619 0.469183 Ge\n0.285848 0.849619 0.530818 Ge\n0.230542 0.647338 0.925530 Ge\n0.730543 0.852662 0.925530 Ge\n0.769459 0.352662 0.074471 Ge\n0.269459 0.147338 0.074471 Ge\n0.216071 0.003490 0.194892 O\n0.144471 0.851405 0.377882 O\n0.355531 0.351405 0.622119 O\n0.309191 0.164226 0.789687 O\n0.190810 0.664226 0.210313 O\n0.690811 0.835773 0.210313 O\n0.809191 0.335773 0.789688 O\n0.716071 0.496510 0.194893 O\n0.783930 -0.003490 0.805108 O\n0.283930 0.503490 0.805108 O\n0.133662 0.537285 0.411356 O\n0.965941 0.203911 0.403262 O\n0.866339 0.462715 0.588645 O\n0.633662 0.962715 0.411356 O\n0.638837 0.183401 0.153737 O\n0.861165 0.683401 0.846264 O\n0.361165 0.816598 0.846264 O\n0.138836 0.316599 0.153737 O\n0.644471 0.648595 0.377882 O\n0.534061 0.703911 0.596739 O\n0.034060 0.796089 0.596739 O\n0.465941 0.296089 0.403261 O\n0.366339 0.037285 0.588645 O\n0.855531 0.148595 0.622119 O\n",
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}