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{
"id": "jvasp-109013",
"created_at": "2022-09-04T14:37:46.912221Z",
"updated_at": "2022-09-04T14:37:46.912240Z",
"structure_string": "Mo2 O6\n1.0\n7.386014 0.039823 0.000000\n-6.443238 3.611022 0.000000\n-0.000000 -0.000000 3.754486\nMo O\n2 6\ndirect\n0.104793 0.895206 0.250000 Mo\n0.895205 0.104793 0.750001 Mo\n0.931036 0.068962 0.250000 O\n0.068962 0.931036 0.750001 O\n0.584317 0.415681 0.250000 O\n0.415681 0.584318 0.750001 O\n0.221830 0.778169 0.250000 O\n0.778168 0.221830 0.750001 O\n",
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{
"id": "jvasp-66942",
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"updated_at": "2022-09-04T14:35:47.791612Z",
"structure_string": "Be1 Nb1 Pt1\n1.0\n-1.410841 1.410841 5.215276\n1.410841 -1.410841 5.215276\n1.410841 1.410841 -5.215276\nBe Nb Pt\n1 1 1\ndirect\n0.016418 0.016418 0.000000 Be\n0.344131 0.344131 0.000000 Nb\n0.639452 0.639452 0.000000 Pt\n",
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{
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"structure_string": "Tc1 As1 Pd2\n1.0\n0.000000 3.119136 3.119136\n3.119136 -0.000000 3.119136\n3.119136 3.119136 0.000000\nTc As Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Tc\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 Pd\n0.750001 0.750001 0.750001 Pd\n",
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"elements": [
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{
"id": "jvasp-65760",
"created_at": "2022-09-04T14:36:14.145215Z",
"updated_at": "2022-09-04T14:36:14.145241Z",
"structure_string": "Ba1 Na1 Ti4\n1.0\n-0.000000 4.204684 4.204684\n4.204684 0.000000 4.204684\n4.204684 4.204684 0.000000\nBa Na Ti\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Na\n0.099667 0.633444 0.633444 Ti\n0.633444 0.633444 0.633444 Ti\n0.633444 0.099667 0.633444 Ti\n0.633444 0.633444 0.099667 Ti\n",
"nsites": 6,
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"volume": 148.67230764990381,
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{
"id": "jvasp-97564",
"created_at": "2022-09-04T14:35:41.865488Z",
"updated_at": "2022-09-04T14:35:41.865512Z",
"structure_string": "Na5 H29 I2 O24\n1.0\n8.035751 0.235874 4.089240\n-0.225732 8.822903 1.995342\n0.609903 0.247856 8.503735\nNa H I O\n5 29 2 24\ndirect\n0.239753 0.106617 0.146922 Na\n0.760246 0.893383 0.853078 Na\n0.000000 0.000000 0.000000 Na\n0.268390 0.368215 0.373044 Na\n0.731609 0.631785 0.626956 Na\n0.052179 0.081492 0.627250 H\n0.107438 0.696409 0.418350 H\n0.892561 0.303590 0.581651 H\n0.056213 0.723390 0.262065 H\n0.943786 0.276609 0.737935 H\n0.736381 0.572371 0.971076 H\n0.930368 0.604786 0.809977 H\n0.947820 -0.081492 0.372751 H\n0.000846 0.345652 0.920621 H\n-0.000846 0.654348 0.079379 H\n0.828009 0.252942 0.080758 H\n0.171991 0.747058 0.919243 H\n0.263618 0.427628 0.028925 H\n0.155474 0.926299 0.640461 H\n0.069632 0.395213 0.190023 H\n0.495832 0.843977 0.857640 H\n0.844526 0.073701 0.359539 H\n0.500439 0.561310 0.243761 H\n0.500000 -0.000000 0.000000 H\n0.399137 0.819621 0.176763 H\n0.600862 0.180379 0.823237 H\n0.322211 0.204908 0.742335 H\n0.499560 0.438690 0.756239 H\n0.393470 0.043462 0.778663 H\n0.606529 0.956538 0.221337 H\n0.508111 0.161744 0.324672 H\n0.491889 0.838256 0.675329 H\n0.677789 0.795092 0.257665 H\n0.504168 0.156023 0.142361 H\n0.334520 0.594369 0.615908 I\n0.665480 0.405631 0.384092 I\n0.707604 0.893401 0.164602 O\n0.429110 0.139534 0.284132 O\n0.570890 0.860466 0.715869 O\n0.957619 0.025293 0.302155 O\n-0.008184 0.280140 0.602342 O\n0.008184 0.719861 0.397658 O\n0.810501 0.636021 0.843043 O\n0.292396 0.106599 0.835398 O\n0.189499 0.363979 0.156958 O\n0.042381 0.974707 0.697845 O\n0.407434 0.886242 0.062958 O\n0.676177 0.212676 0.347367 O\n0.597270 0.620014 0.435715 O\n0.402730 0.379986 0.564286 O\n0.115884 0.523207 0.794927 O\n0.884116 0.476793 0.205074 O\n0.585135 0.479837 0.194628 O\n0.414865 0.520163 0.805372 O\n0.323823 0.787323 0.652633 O\n0.691888 0.359142 0.592958 O\n0.308112 0.640858 0.407042 O\n0.928187 0.255533 0.953644 O\n0.592566 0.113758 0.937042 O\n0.071812 0.744467 0.046356 O\n",
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"density_atomic": 0.10390769649404437,
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"formula_full": "Na5 H29 I2 O24",
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{
"id": "jvasp-42516",
"created_at": "2022-09-04T14:38:00.927596Z",
"updated_at": "2022-09-04T14:38:00.927615Z",
"structure_string": "Li2 Mn3 Cu1 O8\n1.0\n5.820336 0.042374 0.029964\n2.946866 5.019372 0.029964\n2.946866 1.701374 4.722322\nLi Mn Cu O\n2 3 1 8\ndirect\n0.119622 0.119621 0.119621 Li\n0.497917 0.497914 0.497914 Li\n0.003953 0.499670 0.499670 Mn\n0.499672 0.003951 0.499670 Mn\n0.499672 0.499670 0.003951 Mn\n0.882632 0.882628 0.882627 Cu\n0.261879 0.261878 0.261878 O\n0.250399 0.250396 0.710583 O\n0.250399 0.710583 0.250396 O\n0.710585 0.250396 0.250396 O\n0.291634 0.745968 0.745968 O\n0.745971 0.291630 0.745968 O\n0.745971 0.745968 0.291630 O\n0.739720 0.739717 0.739716 O\n",
"nsites": 14,
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"density": 4.494620255316487,
"density_atomic": 0.10235091549982023,
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"formula_full": "Li2 Mn3 Cu1 O8",
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"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-48148",
"created_at": "2022-09-04T14:36:45.230495Z",
"updated_at": "2022-09-04T14:36:45.230524Z",
"structure_string": "Li4 Co4 Si4 O14\n1.0\n5.024869 0.000000 0.000000\n-2.512435 4.108665 0.000000\n0.000000 -0.000000 13.139484\nLi Co Si O\n4 4 4 14\ndirect\n0.343832 0.597091 0.583099 Li\n0.343832 0.597091 0.916901 Li\n0.746742 0.402907 0.083099 Li\n0.746742 0.402907 0.416901 Li\n0.025345 -0.000000 0.000000 Co\n0.025345 -0.000000 0.500000 Co\n0.003333 -0.004734 0.250000 Co\n0.008068 0.004734 0.750000 Co\n0.700124 0.304506 0.863154 Si\n0.700124 0.304506 0.636846 Si\n0.395616 0.695493 0.136846 Si\n0.395616 0.695493 0.363154 Si\n0.337549 0.210905 0.862952 O\n0.748473 0.024184 0.128927 O\n0.748473 0.024184 0.371073 O\n0.860919 0.487211 0.750000 O\n0.337549 0.210905 0.637047 O\n0.371910 0.441347 0.448684 O\n0.126642 0.789094 0.137047 O\n0.724287 0.975815 0.628927 O\n0.724287 0.975815 0.871073 O\n0.373708 0.512788 0.250000 O\n0.126642 0.789094 0.362953 O\n0.930563 0.558652 0.551316 O\n0.371910 0.441347 0.051316 O\n0.930563 0.558652 0.948683 O\n",
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"formula_full": "Li4 Co4 Si4 O14",
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{
"id": "jvasp-48396",
"created_at": "2022-09-04T14:36:14.179936Z",
"updated_at": "2022-09-04T14:36:14.179967Z",
"structure_string": "Li5 Ti1 V3 O8\n1.0\n4.074848 -0.000959 -0.000130\n-2.035734 6.156949 0.074127\n-0.000183 -1.991987 6.118572\nLi Ti V O\n5 1 3 8\ndirect\n0.941759 0.896709 0.641720 Li\n0.810490 0.634184 0.008995 Li\n0.172283 0.357839 0.004826 Li\n0.495911 0.005061 0.003768 Li\n0.047109 0.107485 0.359686 Li\n0.277858 0.568841 0.678264 Ti\n0.710746 0.434833 0.338801 V\n0.611806 0.236883 0.674129 V\n0.379121 0.771431 0.325827 V\n0.651604 0.316472 0.005523 O\n0.880205 0.773605 0.324655 O\n0.440567 0.894343 0.664277 O\n0.784203 0.581548 0.682849 O\n0.333421 0.680039 0.997850 O\n0.209230 0.431791 0.333336 O\n0.545302 0.103860 0.336657 O\n0.108557 0.230378 0.679281 O\n",
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{
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"structure_string": "Pd2 N2\n1.0\n3.027546 -0.000000 -0.000000\n-1.513774 3.635502 0.000000\n0.000000 -0.000000 4.264528\nPd N\n2 2\ndirect\n0.385549 0.771095 0.250000 Pd\n0.614453 0.228905 0.750000 Pd\n0.328334 0.656664 0.750000 N\n0.671668 0.343335 0.250000 N\n",
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{
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{
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{
"id": "jvasp-79646",
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"updated_at": "2022-09-04T14:37:08.862577Z",
"structure_string": "Pd2 N2\n1.0\n-1.512668 -3.635484 -0.000000\n-1.512668 3.635484 0.000000\n0.000000 -0.000000 -4.266098\nPd N\n2 2\ndirect\n0.614695 0.385306 0.750000 Pd\n0.385306 0.614695 0.250000 Pd\n0.671475 0.328526 0.250000 N\n0.328526 0.671475 0.750000 N\n",
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]
}