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{
"id": "jvasp-29705",
"created_at": "2022-09-04T14:38:07.309856Z",
"updated_at": "2022-09-04T14:38:07.309879Z",
"structure_string": "In1 Si1 Te3\n1.0\n7.071507 -0.000001 0.000000\n-3.535752 6.124105 -0.000000\n0.000000 -0.000000 4.121025\nIn Si Te\n1 1 3\ndirect\n0.333333 0.666667 0.708117 In\n-0.000000 0.000000 0.208011 Si\n0.355405 0.341142 0.208021 Te\n0.658858 0.014263 0.208021 Te\n0.985737 0.644595 0.208021 Te\n",
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{
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"structure_string": "Mn3 Ni1 N1\n1.0\n3.806313 0.000000 -0.000000\n0.000000 3.806313 0.000000\n0.000000 0.000000 3.806313\nMn Ni N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 N\n",
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{
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"structure_string": "Pr1 Rh1 C2\n1.0\n-3.765869 0.000000 0.000000\n0.000000 -2.361005 -3.327785\n0.000000 -2.361005 3.327785\nPr Rh C\n1 1 2\ndirect\n0.000000 0.009456 0.990546 Pr\n0.500000 0.385341 0.614661 Rh\n0.500000 0.837262 0.447057 C\n0.500000 0.552945 0.162740 C\n",
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{
"id": "jvasp-110080",
"created_at": "2022-09-04T14:38:07.313764Z",
"updated_at": "2022-09-04T14:38:07.313778Z",
"structure_string": "Tb3 Cd3 Au3\n1.0\n7.806988 0.000000 0.000000\n-3.903494 6.761050 0.000000\n-0.000000 -0.000000 3.897562\nTb Cd Au\n3 3 3\ndirect\n0.598264 -0.000000 -0.000000 Tb\n0.000000 0.598264 -0.000000 Tb\n0.401736 0.401736 -0.000000 Tb\n0.264041 -0.000000 0.500000 Cd\n0.000000 0.264041 0.500000 Cd\n0.735959 0.735959 0.500000 Cd\n0.333334 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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"volume": 205.72671523036198,
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},
{
"id": "jvasp-46809",
"created_at": "2022-09-04T14:38:07.321188Z",
"updated_at": "2022-09-04T14:38:07.321215Z",
"structure_string": "Li2 Mn2 Si4 O12\n1.0\n6.591473 0.048008 -0.014331\n-0.691946 6.555230 0.014331\n-1.420654 1.269255 4.943292\nLi Mn Si O\n2 2 4 12\ndirect\n0.241550 0.241550 0.250000 Li\n0.758449 0.758451 0.750000 Li\n0.104632 0.104633 0.750000 Mn\n0.895367 0.895368 0.250000 Mn\n0.208730 0.610230 0.759066 Si\n0.389771 0.791270 0.259066 Si\n0.610229 0.208731 0.740934 Si\n0.791270 0.389771 0.240934 Si\n0.797793 0.029429 0.863979 O\n0.659759 0.370914 0.468450 O\n0.626242 0.887422 0.345181 O\n0.629087 0.340242 0.968450 O\n0.370913 0.659759 0.031550 O\n0.112578 0.373758 0.845181 O\n0.340241 0.629087 0.531549 O\n0.202206 0.970572 0.136021 O\n0.887421 0.626243 0.154818 O\n0.029428 0.797794 0.636021 O\n0.373757 0.112579 0.654818 O\n0.970572 0.202207 0.363979 O\n",
"nsites": 20,
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"elements": [
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"density": 3.3293397818015933,
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"volume": 213.51529569446006,
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"formula_full": "Li2 Mn2 Si4 O12",
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{
"id": "jvasp-10131",
"created_at": "2022-09-04T14:38:07.323203Z",
"updated_at": "2022-09-04T14:38:07.323230Z",
"structure_string": "Hg4 Se2 O8\n1.0\n0.000000 6.434311 -0.029042\n4.640890 0.000000 0.000000\n0.000000 -0.311862 -8.690112\nHg Se O\n4 2 8\ndirect\n0.189394 0.066369 0.474101 Hg\n0.810606 0.066369 0.025898 Hg\n0.810606 0.933631 0.525898 Hg\n0.189394 0.933631 0.974101 Hg\n0.500000 0.455794 0.250000 Se\n0.500000 0.544206 0.750000 Se\n0.502863 0.767690 0.593509 O\n0.497137 0.767690 0.906491 O\n0.497137 0.232310 0.406491 O\n0.502863 0.232310 0.093509 O\n0.720454 0.359950 0.759316 O\n0.279546 0.359950 0.740683 O\n0.720454 0.640050 0.259316 O\n0.279546 0.640050 0.240683 O\n",
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"formula_full": "Hg4 Se2 O8",
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{
"id": "jvasp-44900",
"created_at": "2022-09-04T14:38:07.332281Z",
"updated_at": "2022-09-04T14:38:07.332303Z",
"structure_string": "Li2 Mn4 O8\n1.0\n5.753572 0.034525 0.024412\n2.906685 4.965477 0.024412\n2.906685 1.678176 4.673359\nLi Mn O\n2 4 8\ndirect\n0.121339 0.121340 0.121340 Li\n0.496287 0.496289 0.496287 Li\n0.008235 0.498776 0.498775 Mn\n0.498775 0.498776 0.008236 Mn\n0.498774 0.008238 0.498775 Mn\n0.878917 0.878922 0.878919 Mn\n0.261265 0.261267 0.261266 O\n0.252037 0.715590 0.252038 O\n0.252037 0.252040 0.715589 O\n0.715588 0.252040 0.252038 O\n0.265973 0.752135 0.752133 O\n0.752132 0.752135 0.265974 O\n0.752132 0.265977 0.752133 O\n0.746488 0.746493 0.746490 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.5293810487014445,
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"volume": 132.57875781780328,
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"formula_full": "Li2 Mn4 O8",
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{
"id": "jvasp-37203",
"created_at": "2022-09-04T14:38:07.334063Z",
"updated_at": "2022-09-04T14:38:07.334092Z",
"structure_string": "Mg3 P3\n1.0\n-4.586266 1.247521 -1.207418\n-1.212748 -4.595584 1.207418\n-0.614201 1.063827 4.741029\nMg P\n3 3\ndirect\n0.205809 0.166501 0.372707 Mg\n0.833171 0.539142 0.627293 Mg\n0.460864 0.794196 1.000000 Mg\n0.709809 0.290390 0.123417 P\n0.333296 0.666627 0.500001 P\n0.957055 0.043142 0.876583 P\n",
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{
"id": "jvasp-5653",
"created_at": "2022-09-04T14:38:07.341064Z",
"updated_at": "2022-09-04T14:38:07.341083Z",
"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
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"formula_full": "Al2 Te2 I14",
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{
"id": "jvasp-46904",
"created_at": "2022-09-04T14:38:07.341742Z",
"updated_at": "2022-09-04T14:38:07.341771Z",
"structure_string": "Li6 Ni1 O1 F6\n1.0\n-0.000000 -2.004860 -2.004860\n-0.000000 2.004860 -2.004860\n14.557043 0.000000 2.004860\nLi Ni O F\n6 1 1 6\ndirect\n0.575489 0.575489 0.150978 Li\n0.146546 0.146546 0.293090 Li\n0.715377 0.715377 0.430754 Li\n0.284623 0.284623 0.569246 Li\n0.853454 0.853454 0.706910 Li\n0.424511 0.424511 0.849022 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 O\n0.077577 0.077577 0.155153 F\n0.646158 0.646158 0.292316 F\n0.215455 0.215455 0.430909 F\n0.784545 0.784545 0.569091 F\n0.353842 0.353842 0.707684 F\n0.922423 0.922423 0.844847 F\n",
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{
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"created_at": "2022-09-04T14:38:07.342464Z",
"updated_at": "2022-09-04T14:38:07.342490Z",
"structure_string": "Pr1 Pt3\n1.0\n4.226731 -0.000000 -0.000000\n0.000000 4.226731 -0.000000\n0.000000 -0.000000 4.226731\nPr Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:07.353555Z",
"updated_at": "2022-09-04T14:38:07.353572Z",
"structure_string": "Li4 V3 O1 F11\n1.0\n5.539669 -0.000846 -0.036082\n-0.850039 6.020829 -0.027295\n-1.187278 -1.528452 5.993081\nLi V O F\n4 3 1 11\ndirect\n0.856523 0.663576 0.451424 Li\n0.615314 0.144733 0.361456 Li\n0.382629 0.872258 0.643899 Li\n0.136537 0.330493 0.541487 Li\n0.300236 0.618053 0.137638 V\n0.991450 0.974901 0.998872 V\n0.696422 0.399719 0.868968 V\n0.940751 0.673473 0.021349 O\n0.431138 0.600592 0.849168 F\n0.669131 0.051570 0.870911 F\n0.165741 0.576515 0.397869 F\n0.416604 0.204493 0.599413 F\n0.570919 0.410836 0.158495 F\n0.831503 0.415923 0.601568 F\n0.339991 0.954239 0.129675 F\n0.058886 0.898266 0.703562 F\n0.933988 0.104505 0.288124 F\n0.574687 0.799791 0.404078 F\n0.087541 0.306066 0.972040 F\n",
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}