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{
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{
"id": "mp-26319",
"created_at": "2022-09-04T14:47:39.340183Z",
"structure_string": "Li3 Mo1 P8 O24\n1.0\n4.165654 6.013440 0.000000\n-4.165654 6.013440 0.000000\n0.000000 4.950043 8.819123\nLi Mo P O\n3 1 8 24\ndirect\n0.452575 0.547425 0.500000 Li\n0.047109 0.512875 0.712581 Li\n0.487125 0.952891 0.287419 Li\n0.552379 0.447621 0.000000 Mo\n0.238833 0.768607 0.773141 P\n0.187361 0.212411 0.043888 P\n0.787589 0.812639 0.956112 P\n0.745341 0.228665 0.725365 P\n0.210817 0.187658 0.556127 P\n0.231393 0.761167 0.226859 P\n0.771335 0.254659 0.274635 P\n0.812342 0.789183 0.443873 P\n0.575862 0.339397 0.661217 O\n0.306229 0.131972 0.413836 O\n0.269132 0.995695 0.703408 O\n0.629041 0.762330 0.431702 O\n0.962822 0.203047 0.605312 O\n0.375304 0.250196 0.056349 O\n0.683877 0.862847 0.099213 O\n0.004305 0.730868 0.296592 O\n0.237670 0.370959 0.568298 O\n0.221822 0.691553 0.665616 O\n0.223725 0.968039 0.082789 O\n0.749804 0.624696 0.943651 O\n0.660603 0.424138 0.338783 O\n0.352181 0.589847 0.149583 O\n0.031961 0.776275 0.917211 O\n0.682810 0.247538 0.157568 O\n0.752462 0.317190 0.842432 O\n0.137153 0.316123 0.900787 O\n0.796953 0.037178 0.394688 O\n0.006830 0.271370 0.185625 O\n0.410153 0.647819 0.850417 O\n0.868028 0.693771 0.586164 O\n0.308447 0.778178 0.334384 O\n0.728630 0.993170 0.814375 O\n",
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},
{
"id": "mp-1408159",
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"structure_string": "Li4 Mn1 V3 O8\n1.0\n2.964113 5.234707 0.000000\n-2.964113 5.234707 0.000000\n0.000000 3.342309 4.911533\nLi Mn V O\n4 1 3 8\ndirect\n0.986467 0.505864 0.007236 Li\n0.494136 0.013533 0.992764 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.762053 0.260007 0.757736 O\n0.260007 0.762053 0.757736 O\n0.743661 0.743661 0.273100 O\n0.262395 0.262395 0.249709 O\n0.737605 0.737605 0.750291 O\n0.256339 0.256339 0.726900 O\n0.739993 0.237947 0.242264 O\n0.237947 0.739993 0.242264 O\n",
"nsites": 16,
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"density_atomic": 0.10497497657726493,
"volume": 152.41727620890194,
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"formula_full": "Li4 Mn1 V3 O8",
"formula_reduced": "Li4MnV3O8",
"formula_anonymous": "AB3C4D8",
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"updated_at": "2021-11-28T01:38:12.403000Z",
"spacegroup": 5
},
{
"id": "mp-1096888",
"created_at": "2022-09-04T14:47:40.224036Z",
"structure_string": "Cr4 N8\n1.0\n4.014285 3.662763 0.000000\n-4.014285 3.662763 0.000000\n0.000000 1.632949 7.144694\nCr N\n4 8\ndirect\n0.014468 0.013061 0.766111 Cr\n0.986939 0.985532 0.233889 Cr\n0.183104 0.436019 0.422388 Cr\n0.563981 0.816896 0.577612 Cr\n0.450962 0.549038 0.500000 N\n0.960443 0.039557 0.000000 N\n0.309643 0.930937 0.699629 N\n0.069063 0.690357 0.300371 N\n0.987086 0.296246 0.627032 N\n0.703754 0.012914 0.372968 N\n0.210978 0.208490 0.279617 N\n0.791510 0.789022 0.720383 N\n",
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"elements": [
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"formula_full": "Cr4 N8",
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{
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"created_at": "2022-09-04T14:47:40.639854Z",
"structure_string": "Mn1 V5 O12\n1.0\n4.630543 5.107767 0.000000\n-4.630543 5.107767 0.000000\n0.000000 2.066277 5.509440\nMn V O\n1 5 12\ndirect\n0.088130 0.911870 0.000000 Mn\n0.914313 0.085687 0.500000 V\n0.791152 0.609591 0.517980 V\n0.611874 0.793297 0.011634 V\n0.390409 0.208848 0.482020 V\n0.206703 0.388126 0.988366 V\n0.961053 0.802318 0.403655 O\n0.901778 0.378133 0.536508 O\n0.806680 0.960029 0.879905 O\n0.637879 0.649015 0.304159 O\n0.621867 0.098222 0.463492 O\n0.638194 0.631921 0.809410 O\n0.350985 0.362121 0.695841 O\n0.386073 0.912821 0.037134 O\n0.368079 0.361806 0.190590 O\n0.197682 0.038947 0.596345 O\n0.087179 0.613927 0.962866 O\n0.039971 0.193320 0.120095 O\n",
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"elements": [
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],
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"density": 3.196239916816334,
"density_atomic": 0.06906723216944424,
"volume": 260.61562675394583,
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"formula_full": "Mn1 V5 O12",
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"formula_anonymous": "AB5C12",
"energy": -156.17468104,
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"updated_at": "2021-11-28T01:38:15.059000Z",
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{
"id": "mp-773065",
"created_at": "2022-09-04T14:47:40.521799Z",
"structure_string": "Li5 V5 Cr2 O12\n1.0\n4.534026 2.598513 0.000000\n-4.534026 2.598513 0.000000\n0.000000 2.001175 9.782413\nLi V Cr O\n5 5 2 12\ndirect\n0.844504 0.670735 0.764173 Li\n0.670676 0.836655 0.237097 Li\n0.329265 0.155496 0.235827 Li\n0.163345 0.329324 0.762903 Li\n0.082234 0.917766 0.000000 Li\n0.994863 0.506615 0.244866 V\n0.493385 0.005137 0.755134 V\n0.581326 0.418674 0.500000 V\n0.419533 0.580467 0.000000 V\n0.917673 0.082327 0.500000 V\n0.749297 0.250703 0.000000 Cr\n0.249142 0.750858 0.500000 Cr\n0.035199 0.224805 0.120296 O\n0.775195 0.964801 0.879704 O\n0.876898 0.373501 0.611939 O\n0.626499 0.123102 0.388061 O\n0.699077 0.522136 0.118309 O\n0.477864 0.300923 0.881691 O\n0.536065 0.718738 0.613456 O\n0.281262 0.463935 0.386544 O\n0.388662 0.868016 0.119106 O\n0.131984 0.611338 0.880894 O\n0.205773 0.029720 0.615067 O\n0.970280 0.794227 0.384933 O\n",
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"elements": [
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],
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"density": 4.217111374200703,
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"formula_full": "Li5 V5 Cr2 O12",
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{
"id": "mp-1104405",
"created_at": "2022-09-04T14:47:43.209853Z",
"structure_string": "Na2 S4 O8\n1.0\n-0.017742 0.000000 -5.500382\n0.000000 -6.620176 0.000000\n-7.172616 3.310088 1.937430\nNa S O\n2 4 8\ndirect\n0.013304 0.851403 0.528145 Na\n0.986696 0.323258 0.471855 Na\n0.342543 0.011760 0.040732 S\n0.657457 0.971028 0.959268 S\n0.423495 0.913236 0.280013 S\n0.576505 0.633223 0.719987 S\n0.389860 0.672702 0.191351 O\n0.610140 0.481351 0.808649 O\n0.228013 0.019938 0.372454 O\n0.771987 0.647484 0.627546 O\n0.680962 0.014418 0.388268 O\n0.319038 0.626150 0.611732 O\n0.917991 0.500128 0.264206 O\n0.082009 0.235922 0.735794 O\n",
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"formula_full": "Na2 S4 O8",
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{
"id": "mp-1226151",
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"structure_string": "Cs2 Si1 B4 O9\n1.0\n5.049374 4.750150 0.000000\n-5.049374 4.750150 0.000000\n0.000000 4.668817 4.894673\nCs Si B O\n2 1 4 9\ndirect\n0.506816 0.493184 0.000000 Cs\n0.245862 0.754138 0.500000 Cs\n0.756633 0.243367 0.500000 Si\n0.972992 0.138531 0.113696 B\n0.861469 0.027008 0.886304 B\n0.281349 0.164706 0.703374 B\n0.835294 0.718651 0.296626 B\n0.717034 0.036214 0.781989 O\n0.963786 0.282966 0.218011 O\n0.819397 0.494419 0.469602 O\n0.505581 0.180603 0.530398 O\n0.895724 0.883214 0.336544 O\n0.116786 0.104276 0.663456 O\n0.232373 0.210872 0.894892 O\n0.789128 0.767627 0.105108 O\n0.835875 0.164125 0.000000 O\n",
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{
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"structure_string": "Na2 I2 O8\n1.0\n1.939552 6.728750 0.000000\n-1.939552 6.728750 0.000000\n0.000000 4.643088 7.984369\nNa I O\n2 2 8\ndirect\n0.176310 0.604940 0.902549 Na\n0.395060 0.823690 0.097451 Na\n0.066553 0.334911 0.719958 I\n0.665089 0.933447 0.280042 I\n0.990512 0.436727 0.903868 O\n0.563273 0.009488 0.096132 O\n0.266710 0.902690 0.815152 O\n0.097310 0.733290 0.184848 O\n0.491332 0.151015 0.598305 O\n0.848985 0.508668 0.401695 O\n0.694447 0.182979 0.698548 O\n0.817021 0.305553 0.301452 O\n",
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{
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"structure_string": "Sr2 Ca1 V2 Si4 O14\n1.0\n5.193488 0.000000 -1.886621\n-0.092465 7.366825 -0.254536\n-0.058211 -0.271208 7.931383\nSr Ca V Si O\n2 1 2 4 14\ndirect\n0.193630 0.775879 0.401408 Sr\n0.792222 0.224121 0.598592 Sr\n0.066123 0.500000 0.000000 Ca\n0.881254 0.784180 0.776311 V\n0.104942 0.215820 0.223689 V\n0.413656 0.475211 0.780001 Si\n0.633654 0.524789 0.219999 Si\n0.600658 0.967269 0.213470 Si\n0.387189 0.032731 0.786530 Si\n0.641686 0.750123 0.270614 O\n0.371072 0.249877 0.729386 O\n0.531818 0.500000 0.000000 O\n0.490768 0.000000 0.000000 O\n0.630054 0.549352 0.704369 O\n0.925685 0.450648 0.295631 O\n0.406236 0.049194 0.313717 O\n0.092519 0.950806 0.686283 O\n0.976660 0.212935 0.977106 O\n0.999556 0.787065 0.022894 O\n0.886467 0.059659 0.316691 O\n0.569777 0.940341 0.683309 O\n0.128711 0.560895 0.721797 O\n0.406914 0.439105 0.278203 O\n",
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{
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"structure_string": "Zr2 P4 N6 O16 F2\n1.0\n3.393798 8.447176 0.000000\n-3.393798 8.447176 0.000000\n0.000000 5.047645 8.721318\nZr P N O F\n2 4 6 16 2\ndirect\n0.450408 0.815128 0.692244 Zr\n0.184872 0.549592 0.307756 Zr\n0.969070 0.316220 0.590957 P\n0.683780 0.030930 0.409043 P\n0.522012 0.678043 0.059254 P\n0.321957 0.477988 0.940746 P\n0.841684 0.158316 0.000000 N\n0.598117 0.871752 0.136070 N\n0.128248 0.401883 0.863930 N\n0.827107 0.103018 0.657643 N\n0.896982 0.172893 0.342357 N\n0.438238 0.561762 0.500000 N\n0.453384 0.903949 0.118503 O\n0.096051 0.546616 0.881497 O\n0.746184 0.489779 0.079654 O\n0.510221 0.253816 0.920346 O\n0.473245 0.801499 0.899005 O\n0.198501 0.526755 0.100995 O\n0.052223 0.388568 0.426821 O\n0.611432 0.947777 0.573179 O\n0.136123 0.129626 0.689710 O\n0.870374 0.863877 0.310290 O\n0.756664 0.494487 0.672434 O\n0.505513 0.243336 0.327566 O\n0.902803 0.191723 0.556838 O\n0.808277 0.097197 0.443162 O\n0.332870 0.687206 0.175228 O\n0.312794 0.667130 0.824772 O\n0.439244 0.854578 0.487558 F\n0.145422 0.560756 0.512442 F\n",
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{
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}