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{
"id": "jvasp-49213",
"created_at": "2022-09-04T14:38:09.197421Z",
"updated_at": "2022-09-04T14:38:09.197438Z",
"structure_string": "Li16 Ta2 N8 O1\n1.0\n5.619302 -0.002712 7.164945\n2.472608 5.046064 7.164945\n-0.004352 -0.002712 9.105655\nLi Ta N O\n16 2 8 1\ndirect\n0.582498 0.582497 0.582497 Li\n0.825396 0.167276 0.581429 Li\n0.167277 0.581430 0.825396 Li\n0.174604 0.832724 0.418570 Li\n0.832724 0.418570 0.174603 Li\n0.581430 0.825396 0.167275 Li\n0.058867 0.329687 0.682632 Li\n0.682632 0.058867 0.329686 Li\n0.418570 0.174604 0.832724 Li\n0.941134 0.670313 0.317367 Li\n0.317368 0.941133 0.670313 Li\n0.670314 0.317368 0.941133 Li\n0.077676 0.077676 0.077676 Li\n0.329687 0.682632 0.058866 Li\n0.922325 0.922324 0.922323 Li\n0.417503 0.417503 0.417502 Li\n0.249423 0.249422 0.249422 Ta\n0.750578 0.750577 0.750577 Ta\n0.327084 0.327084 0.327083 N\n0.774951 0.089170 0.462527 N\n0.089170 0.462528 0.774951 N\n0.910831 0.537472 0.225048 N\n0.225050 0.910830 0.537472 N\n0.537472 0.225050 0.910830 N\n0.462528 0.774950 0.089169 N\n0.672917 0.672916 0.672916 N\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Cr2 O4\n1.0\n0.000000 0.000000 -2.919312\n-0.000000 -4.435939 0.000000\n-4.436211 -0.000000 0.000000\nCr O\n2 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.802983 0.197012 O\n0.500000 0.197018 0.802988 O\n0.000000 0.697018 0.697012 O\n0.000000 0.302983 0.302988 O\n",
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{
"id": "jvasp-53032",
"created_at": "2022-09-04T14:36:31.135084Z",
"updated_at": "2022-09-04T14:36:31.135104Z",
"structure_string": "Cr2 O4\n1.0\n2.919106 0.000000 0.000000\n0.000000 4.435674 -0.000000\n0.000000 -0.000000 4.437064\nCr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500000 0.500000 Cr\n0.000000 0.302852 0.303122 O\n0.500001 0.802851 0.196878 O\n0.000000 0.697147 0.696877 O\n0.500001 0.197148 0.803121 O\n",
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"formula_full": "Cr2 O4",
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},
{
"id": "jvasp-63060",
"created_at": "2022-09-04T14:35:43.962646Z",
"updated_at": "2022-09-04T14:35:43.962670Z",
"structure_string": "B16 W4\n1.0\n6.969913 0.000000 -0.000000\n0.000000 6.969913 0.000000\n-0.000000 0.000000 3.942446\nB W\n16 4\ndirect\n0.000000 0.000000 0.199319 B\n0.318909 0.475402 0.500000 B\n0.681091 0.524597 0.500000 B\n0.475402 0.681091 0.500000 B\n0.524597 0.318909 0.500000 B\n0.818909 0.024597 0.500000 B\n0.181091 0.975402 0.500000 B\n0.024597 0.181091 0.500000 B\n0.975402 0.818909 0.500000 B\n0.911841 0.588159 0.500000 B\n0.588159 0.088159 0.500000 B\n0.411841 0.911841 0.500000 B\n0.500000 0.500000 0.199319 B\n0.000000 0.000000 0.800682 B\n0.500000 0.500000 0.800682 B\n0.088159 0.411841 0.500000 B\n0.383918 0.116081 0.000000 W\n0.883918 0.383918 0.000000 W\n0.116081 0.616081 0.000000 W\n0.616081 0.883918 0.000000 W\n",
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{
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"created_at": "2022-09-04T14:36:20.868685Z",
"updated_at": "2022-09-04T14:36:20.868712Z",
"structure_string": "Pr1 Cr2 B6\n1.0\n0.000000 0.000000 -3.121250\n-3.308908 4.172610 -1.560625\n3.308908 4.172610 -1.560625\nPr Cr B\n1 2 6\ndirect\n-0.000002 0.500000 0.500000 Pr\n0.845455 0.154545 0.154545 Cr\n0.154542 0.845455 0.845455 Cr\n0.499998 0.136897 0.863103 B\n0.499998 0.863103 0.136897 B\n0.697916 0.036600 0.567565 B\n0.302081 0.432434 0.963400 B\n0.697916 0.567565 0.036600 B\n0.302081 0.963400 0.432434 B\n",
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"density": 5.968038237718862,
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"volume": 86.18884044217589,
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"formula_full": "Pr1 Cr2 B6",
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{
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"updated_at": "2022-09-04T14:38:28.609074Z",
"structure_string": "Mn1 Si1 O4\n1.0\n-1.810622 1.810622 4.381812\n1.810622 -1.810622 4.381812\n1.810622 1.810622 -4.381812\nMn Si O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749998 0.250000 0.499999 Si\n0.949239 0.449240 0.499999 O\n0.782707 0.782707 0.000000 O\n0.550758 0.050759 0.499999 O\n0.217292 0.217292 0.000000 O\n",
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{
"id": "jvasp-40651",
"created_at": "2022-09-04T14:37:54.767820Z",
"updated_at": "2022-09-04T14:37:54.767849Z",
"structure_string": "Na2 Co2 O4\n1.0\n1.458753 -2.526634 -0.000000\n1.458753 2.526634 0.000000\n0.000000 -0.000000 10.394685\nNa Co O\n2 2 4\ndirect\n0.666666 0.333332 0.750000 Na\n0.333332 0.666666 0.250000 Na\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.333332 0.666666 0.594410 O\n0.666666 0.333332 0.405590 O\n0.666666 0.333332 0.094410 O\n0.333332 0.666666 0.905590 O\n",
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},
{
"id": "jvasp-51364",
"created_at": "2022-09-04T14:37:10.239171Z",
"updated_at": "2022-09-04T14:37:10.239195Z",
"structure_string": "Na2 P2 H6 N2 O6\n1.0\n0.000000 5.785888 0.000058\n5.946822 0.000000 0.000000\n0.000000 -2.892915 -5.010744\nNa P H N O\n2 2 6 2 6\ndirect\n-0.000000 0.493971 0.000001 Na\n0.000000 0.993971 -0.000001 Na\n0.666668 0.805124 0.333333 P\n0.333331 0.305124 0.666666 P\n0.154525 0.668248 0.505045 H\n0.350518 0.668248 0.845472 H\n0.494953 0.668248 0.649480 H\n0.505046 0.168248 0.350519 H\n0.649481 0.168248 0.154527 H\n0.845474 0.168248 0.494953 H\n0.666667 0.106775 0.333333 N\n0.333332 0.606775 0.666666 N\n0.147885 0.245195 0.773434 O\n0.773433 0.745195 0.625546 O\n0.852114 0.745194 0.226565 O\n0.374452 0.745195 0.147886 O\n0.226566 0.245195 0.374453 O\n0.625547 0.245195 0.852113 O\n",
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"formula_full": "Na2 P2 H6 N2 O6",
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{
"id": "jvasp-119613",
"created_at": "2022-09-04T14:38:52.149924Z",
"updated_at": "2022-09-04T14:38:52.149937Z",
"structure_string": "Tm1 H9 C5 N2 O8\n1.0\n6.358996 0.099236 1.768384\n2.407522 5.886469 1.768384\n0.116592 0.079608 6.485290\nTm H C N O\n1 9 5 2 8\ndirect\n0.545945 0.454056 -0.000001 Tm\n0.749011 0.805266 0.599649 H\n0.194734 0.250989 0.400349 H\n0.044633 0.703382 0.472588 H\n0.296618 0.955367 0.527411 H\n0.997273 -0.017703 0.176385 H\n0.017703 0.002728 0.823614 H\n0.353849 0.012615 0.113089 H\n-0.012616 0.646152 0.886910 H\n0.634951 0.365050 0.499999 H\n0.478587 0.521413 0.499999 C\n0.006877 0.519386 0.041793 C\n0.480614 0.993123 0.958206 C\n0.019428 0.158821 0.703847 C\n0.841179 0.980572 0.296151 C\n0.878848 0.815714 0.469508 N\n0.184287 0.121152 0.530491 N\n0.397947 0.612370 0.669929 O\n0.387631 0.602053 0.330070 O\n0.531627 0.816702 0.879365 O\n0.183299 0.468373 0.120634 O\n0.645976 0.126713 0.264133 O\n0.873288 0.354025 0.735865 O\n0.857092 0.436106 0.129414 O\n0.563894 0.142909 0.870584 O\n",
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{
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"updated_at": "2022-09-04T14:37:14.348025Z",
"structure_string": "Mn6 O11 F1\n1.0\n-4.495794 4.495794 2.883639\n-0.030707 4.464474 -2.883075\n-4.464474 0.030707 -2.883075\nMn O F\n6 11 1\ndirect\n0.830739 0.668679 0.668679 Mn\n0.332167 0.651908 0.651908 Mn\n0.667976 0.338324 0.338324 Mn\n0.161051 0.330136 0.330136 Mn\n0.512455 0.004478 0.004478 Mn\n0.987706 0.002422 0.002422 Mn\n0.667107 0.639960 0.032021 O\n0.334625 0.969027 0.360879 O\n0.000920 0.304632 0.697269 O\n0.038103 0.767963 0.767963 O\n0.370391 0.430306 0.430306 O\n0.630276 0.565112 0.565112 O\n0.960893 0.232870 0.232870 O\n0.000920 0.697269 0.304632 O\n0.334625 0.360879 0.969027 O\n0.667107 0.032021 0.639960 O\n0.701437 0.105901 0.105901 O\n0.301505 0.898099 0.898099 F\n",
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"spacegroup": 8
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{
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"created_at": "2022-09-04T14:37:13.509236Z",
"updated_at": "2022-09-04T14:37:13.509262Z",
"structure_string": "Mn4 Cu3 O12\n1.0\n5.829910 0.000013 -2.061197\n-2.914940 5.048807 -2.061170\n-0.000013 0.000012 6.183553\nMn Cu O\n4 3 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500001 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500001 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.183712 0.689938 0.873650 O\n0.493740 0.183693 0.310041 O\n0.689960 0.873655 0.183697 O\n0.816288 0.310062 0.126350 O\n0.689934 0.506219 0.816283 O\n0.873650 0.183709 0.689937 O\n0.183704 0.310053 0.493751 O\n0.816296 0.689947 0.506248 O\n0.126350 0.816292 0.310063 O\n0.506260 0.816307 0.689958 O\n0.310066 0.493783 0.183717 O\n0.310040 0.126346 0.816303 O\n",
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"formula_full": "Mn4 Cu3 O12",
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{
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"created_at": "2022-09-04T14:38:02.206860Z",
"updated_at": "2022-09-04T14:38:02.206880Z",
"structure_string": "Li4 Co3 O2 F6\n1.0\n-5.021002 -0.017938 0.001793\n0.896732 5.186222 -0.036170\n-0.072901 -1.767044 -5.509315\nLi Co O F\n4 3 2 6\ndirect\n0.256893 0.974251 0.866078 Li\n0.761007 -0.003277 0.633068 Li\n0.238993 0.003277 0.366933 Li\n0.743107 0.025750 0.133923 Li\n0.501617 0.495754 0.778912 Co\n0.498383 0.504246 0.221089 Co\n0.000000 0.500000 -0.000000 Co\n0.642269 0.254955 0.937170 O\n0.357731 0.745046 0.062831 O\n0.134084 0.207013 0.687748 F\n0.872105 0.771716 0.826577 F\n0.401265 0.744937 0.564562 F\n0.598735 0.255063 0.435439 F\n0.865916 0.792987 0.312254 F\n0.127895 0.228284 0.173424 F\n",
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"formula_full": "Li4 Co3 O2 F6",
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]
}