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{
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{
"id": "jvasp-35116",
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"updated_at": "2022-09-04T14:37:39.671699Z",
"structure_string": "Ba2 Al4 Si6 N8 O8\n1.0\n0.000000 0.000000 -5.774231\n0.000000 -6.805300 2.887115\n-9.594648 0.000000 0.000000\nBa Al Si N O\n2 4 6 8 8\ndirect\n0.984244 0.968490 0.501277 Ba\n0.015755 0.031510 0.001277 Ba\n0.473405 0.946813 0.254890 Al\n0.526594 0.053187 0.754891 Al\n0.287350 0.574701 0.038136 Al\n0.712650 0.425299 0.538136 Al\n0.297786 0.595575 0.486648 Si\n0.702213 0.404425 0.986648 Si\n0.918657 0.347878 0.261597 Si\n0.429220 0.347878 0.261597 Si\n0.081342 0.652122 0.761597 Si\n0.570779 0.652122 0.761597 Si\n0.535162 0.577915 0.589222 N\n0.042753 0.577915 0.589222 N\n0.464837 0.422085 0.089222 N\n0.957246 0.422085 0.089222 N\n0.791804 0.583609 0.851125 N\n0.713200 0.426402 0.345355 N\n0.208195 0.416391 0.351125 N\n0.286799 0.573598 0.845356 N\n0.407337 0.814676 0.101393 O\n0.801112 0.100341 0.260116 O\n0.299229 0.100341 0.260116 O\n0.198887 0.899659 0.760117 O\n0.700770 0.899659 0.760117 O\n0.406989 0.813979 0.411603 O\n0.593010 0.186021 0.911603 O\n0.592662 0.185324 0.601393 O\n",
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{
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"structure_string": "Ba2 Al2 Si8 N10 O6\n1.0\n-0.000000 0.000000 -5.674543\n0.000000 -6.898558 2.837271\n-9.459789 0.000000 0.000000\nBa Al Si N O\n2 2 8 10 6\ndirect\n0.974355 0.948712 0.486836 Ba\n0.025645 0.051288 0.986837 Ba\n0.471161 0.942323 0.256829 Al\n0.528839 0.057678 0.756829 Al\n0.710904 0.421809 0.545902 Si\n0.289096 0.578192 0.045902 Si\n0.576469 0.655207 0.768228 Si\n0.078738 0.655207 0.768228 Si\n0.921261 0.344793 0.268228 Si\n0.702303 0.404606 0.988663 Si\n0.297697 0.595394 0.488663 Si\n0.423530 0.344793 0.268228 Si\n0.975297 0.447359 0.099674 N\n0.527938 0.552641 0.599674 N\n0.024703 0.552641 0.599674 N\n0.472062 0.447359 0.099674 N\n0.290434 0.580870 0.860432 N\n0.592267 0.184535 0.920647 N\n0.800168 0.600336 0.864692 N\n0.199832 0.399665 0.364692 N\n0.407733 0.815466 0.420647 N\n0.709566 0.419131 0.360432 N\n0.400648 0.801297 0.101010 O\n0.800377 0.106024 0.247692 O\n0.305646 0.106024 0.247692 O\n0.199622 0.893976 0.747692 O\n0.694354 0.893976 0.747692 O\n0.599352 0.198704 0.601010 O\n",
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"formula_full": "Ba2 Al2 Si8 N10 O6",
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{
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"created_at": "2022-09-04T14:37:46.344115Z",
"updated_at": "2022-09-04T14:37:46.344134Z",
"structure_string": "Mo2 P4\n1.0\n3.063323 0.000000 -0.861422\n0.000000 5.042167 0.000000\n-0.005624 0.000000 5.857484\nMo P\n2 4\ndirect\n0.093434 0.500986 0.186869 Mo\n0.906566 0.000985 0.813131 Mo\n0.430822 0.620319 0.861643 P\n0.569178 0.120319 0.138357 P\n0.700847 0.803696 0.401694 P\n0.299153 0.303696 0.598306 P\n",
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{
"id": "jvasp-41032",
"created_at": "2022-09-04T14:37:47.357715Z",
"updated_at": "2022-09-04T14:37:47.357745Z",
"structure_string": "Ba4 In2 Bi2 S10\n1.0\n-4.206680 0.000000 -0.000000\n-2.103340 9.244001 -0.000000\n0.000000 -0.000000 -12.850418\nBa In Bi S\n4 2 2 10\ndirect\n0.130260 0.739478 0.189194 Ba\n0.887736 0.224528 0.314629 Ba\n0.869740 0.260522 0.689195 Ba\n0.112264 0.775471 0.814629 Ba\n0.444765 0.110469 0.055789 In\n0.555235 0.889530 0.555789 In\n0.217170 0.565660 0.478415 Bi\n0.782830 0.434340 0.978415 Bi\n0.495259 0.009479 0.725298 S\n0.684504 0.630992 0.632931 S\n0.358932 0.282136 0.499219 S\n0.045604 0.908792 0.446759 S\n0.641068 0.717863 0.999219 S\n0.504741 0.990520 0.225296 S\n0.315496 0.369007 0.132931 S\n0.284140 0.431718 0.833798 S\n0.715860 0.568282 0.333798 S\n0.954397 0.091208 0.946759 S\n",
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{
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"structure_string": "Ag4 Hg2 S2 I4\n1.0\n7.234449 -0.000000 -0.000000\n0.000000 6.658572 -3.592854\n0.000000 -0.046749 7.879894\nAg Hg S I\n4 2 2 4\ndirect\n0.771840 0.178622 0.672903 Ag\n0.771840 0.505719 0.327097 Ag\n0.271839 0.494280 0.672903 Ag\n0.271839 0.821378 0.327097 Ag\n0.406435 0.025773 0.000000 Hg\n0.906435 0.974227 0.000000 Hg\n0.679060 0.208569 0.000000 S\n0.179060 0.791431 0.000000 S\n0.172514 0.138943 0.690161 I\n0.172514 0.448783 0.309839 I\n0.672514 0.861056 0.309839 I\n0.672514 0.551216 0.690161 I\n",
"nsites": 12,
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"volume": 378.36804337023864,
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{
"id": "jvasp-51026",
"created_at": "2022-09-04T14:37:50.871855Z",
"updated_at": "2022-09-04T14:37:50.871885Z",
"structure_string": "K2 H2 O2\n1.0\n1.970677 0.000000 5.246347\n0.000000 3.954657 0.000000\n-1.970677 0.000000 5.246347\nK H O\n2 2 2\ndirect\n0.359021 0.237923 0.359021 K\n0.640980 0.737923 0.640980 K\n0.032488 0.097184 0.032488 H\n0.967512 0.597185 0.967512 H\n0.104183 0.259478 0.104183 O\n0.895818 0.759479 0.895818 O\n",
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},
{
"id": "jvasp-12252",
"created_at": "2022-09-04T14:38:11.745742Z",
"updated_at": "2022-09-04T14:38:11.745768Z",
"structure_string": "Na6 V2 S6 O2\n1.0\n5.892461 0.000000 0.000000\n0.000000 7.481808 -1.573329\n0.000000 0.008632 7.645439\nNa V S O\n6 2 6 2\ndirect\n0.463779 0.118889 0.881111 Na\n0.483089 0.173753 0.413613 Na\n0.483089 0.586387 0.826247 Na\n0.983089 0.413613 0.173753 Na\n0.963778 0.881111 0.118889 Na\n0.983089 0.826247 0.586387 Na\n0.385235 0.702951 0.297049 V\n0.885235 0.297048 0.702951 V\n0.500752 0.432666 0.186383 S\n0.982894 0.118380 0.881620 S\n0.500752 0.813617 0.567334 S\n0.000752 0.186383 0.432666 S\n0.000752 0.567334 0.813616 S\n0.482894 0.881620 0.118380 S\n0.598970 0.301971 0.698029 O\n0.098970 0.698029 0.301971 O\n",
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"formula_full": "Na6 V2 S6 O2",
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{
"id": "jvasp-86209",
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"updated_at": "2022-09-04T14:37:51.422959Z",
"structure_string": "Yb4 Cd2 Sb4\n1.0\n4.476371 0.000000 -1.186914\n-0.000000 7.146907 -0.000000\n-0.011433 -0.000000 8.991512\nYb Cd Sb\n4 2 4\ndirect\n0.479573 0.718578 0.959146 Yb\n0.520428 0.218578 0.040854 Yb\n0.697414 0.533759 0.394830 Yb\n0.302586 0.033759 0.605170 Yb\n0.901956 0.396168 0.803912 Cd\n0.098044 0.896168 0.196089 Cd\n0.319940 0.514639 0.639879 Sb\n0.680060 0.014638 0.360121 Sb\n0.069381 0.494367 0.138761 Sb\n0.930620 0.994367 0.861239 Sb\n",
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"spacegroup": 36
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{
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"created_at": "2022-09-04T14:37:51.786219Z",
"updated_at": "2022-09-04T14:37:51.786242Z",
"structure_string": "Al8 C2 N6 O2\n1.0\n5.373088 0.048556 0.000000\n-1.975279 4.997070 -0.000000\n0.000000 0.000000 8.983015\nAl C N O\n8 2 6 2\ndirect\n0.594616 0.405385 0.592424 Al\n0.957854 0.042147 0.675595 Al\n0.042147 0.957854 0.175595 Al\n0.542021 0.899437 0.391621 Al\n0.100564 0.457980 0.391621 Al\n0.457980 0.100564 0.891621 Al\n0.899437 0.542021 0.891621 Al\n0.405384 0.594616 0.092423 Al\n0.195372 0.804628 0.004301 C\n0.804628 0.195373 0.504302 C\n0.825500 0.174501 0.839196 N\n0.836067 0.673272 0.706367 N\n0.174501 0.825499 0.339195 N\n0.326729 0.163934 0.706367 N\n0.673271 0.836067 0.206367 N\n0.163933 0.326729 0.206367 N\n0.568693 0.431308 0.978031 O\n0.431308 0.568693 0.478031 O\n",
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{
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"created_at": "2022-09-04T14:37:53.123645Z",
"updated_at": "2022-09-04T14:37:53.123666Z",
"structure_string": "Li2 Ge4 N6\n1.0\n-0.000000 -0.000000 -5.102931\n0.000000 -5.551041 -0.000000\n-4.801013 2.775520 0.000000\nLi Ge N\n2 4 6\ndirect\n0.495527 0.341465 0.000000 Li\n0.995527 0.658535 0.000000 Li\n0.491911 0.669189 0.674272 Ge\n0.491911 0.994917 0.325728 Ge\n0.991911 0.330811 0.325728 Ge\n0.991911 0.005083 0.674272 Ge\n0.122007 0.664958 0.630554 N\n0.122007 0.034403 0.369445 N\n0.622007 0.335042 0.369445 N\n0.622007 0.965597 0.630554 N\n0.097637 0.303678 0.000000 N\n0.597637 0.696322 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:37:55.175911Z",
"updated_at": "2022-09-04T14:37:55.175935Z",
"structure_string": "Sr4 Cd2 As4\n1.0\n4.474496 0.000000 0.000000\n0.000000 0.000000 7.601315\n2.237248 -8.514178 0.000000\nSr Cd As\n4 2 4\ndirect\n0.466085 0.263015 0.067834 Sr\n0.297543 0.607490 0.404916 Sr\n0.702459 0.107489 0.595084 Sr\n0.533919 0.763015 0.932166 Sr\n0.903466 0.921822 0.193073 Cd\n0.096537 0.421821 0.806927 Cd\n0.935930 0.555439 0.128144 As\n0.323264 0.017879 0.353475 As\n0.676739 0.517879 0.646525 As\n0.064073 0.055438 0.871855 As\n",
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{
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"created_at": "2022-09-04T14:37:56.465285Z",
"updated_at": "2022-09-04T14:37:56.465308Z",
"structure_string": "P4 W2\n1.0\n3.085550 0.000000 -0.875049\n0.000000 5.035356 0.000000\n-0.007228 0.000000 5.852087\nP W\n4 2\ndirect\n0.430638 0.617592 0.861279 P\n0.569361 0.117592 0.138721 P\n0.700874 0.800144 0.401749 P\n0.299125 0.300144 0.598252 P\n0.093401 0.499265 0.186801 W\n0.906599 0.999266 0.813199 W\n",
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}
]
}