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{
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{
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{
"id": "mp-1030908",
"created_at": "2022-09-04T14:42:40.436328Z",
"structure_string": "Li1 Ce1 Mg6 O8\n1.0\n8.901313 0.000000 0.000000\n0.000000 4.451019 0.000000\n-0.000000 0.000000 4.451019\nLi Ce Mg O\n1 1 6 8\ndirect\n0.000000 -0.000000 0.000000 Li\n0.500000 -0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.221708 -0.000000 0.500000 Mg\n0.778292 0.000000 0.500000 Mg\n0.221708 0.500000 -0.000000 Mg\n0.778292 0.500000 0.000000 Mg\n0.239647 -0.000000 -0.000000 O\n0.760353 0.000000 0.000000 O\n0.252258 0.500000 0.500000 O\n0.747742 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Li1 Ce1 Mg6 O8",
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{
"id": "mp-1234638",
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"structure_string": "Dy6 Mg1 Sb10 O24\n1.0\n-5.611578 5.611578 5.611578\n5.460785 -5.460785 5.309992\n5.460785 5.309992 -5.460785\nDy Mg Sb O\n6 1 10 24\ndirect\n0.731365 0.243244 0.487907 Dy\n0.731365 0.487907 0.243244 Dy\n0.488120 0.244662 0.756756 Dy\n0.488120 0.756756 0.244662 Dy\n0.243458 0.755338 0.512093 Dy\n0.243458 0.512093 0.755338 Dy\n0.308074 0.000000 0.000000 Mg\n0.578192 0.000000 0.000000 Sb\n0.246349 0.000000 0.299070 Sb\n0.246349 0.299070 0.000000 Sb\n0.718493 0.000000 0.713590 Sb\n0.718493 0.713590 0.000000 Sb\n0.993347 0.524306 0.000000 Sb\n0.993347 0.000000 0.524306 Sb\n0.469040 0.475694 0.475694 Sb\n0.004903 0.286410 0.286410 Sb\n0.947279 0.700930 0.700930 Sb\n0.509614 0.000000 0.184686 O\n0.509614 0.184686 0.000000 O\n0.703130 0.496484 0.000000 O\n0.703130 0.000000 0.496484 O\n0.810334 0.300275 0.300275 O\n0.481967 0.491418 0.191543 O\n0.481967 0.191543 0.491418 O\n0.510060 0.699725 0.000000 O\n0.510060 0.000000 0.699725 O\n0.691160 0.488947 0.488947 O\n0.805372 0.281067 0.796555 O\n0.805372 0.796555 0.281067 O\n0.202211 0.511053 0.000000 O\n0.202211 0.000000 0.511053 O\n0.524303 0.718933 0.515487 O\n0.524303 0.515487 0.718933 O\n0.008817 0.484513 0.203445 O\n0.008817 0.203445 0.484513 O\n0.290425 0.808457 0.299876 O\n0.290425 0.299876 0.808457 O\n0.206647 0.503516 0.503516 O\n0.990549 0.700124 0.508582 O\n0.990549 0.508582 0.700124 O\n0.324928 0.815314 0.815314 O\n",
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"volume": 650.9971278081955,
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"formula_full": "Dy6 Mg1 Sb10 O24",
"formula_reduced": "Dy6Mg(Sb5O12)2",
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},
{
"id": "mp-1185106",
"created_at": "2022-09-04T14:42:40.487542Z",
"structure_string": "K2 Te6\n1.0\n3.391140 -5.873628 0.000000\n3.391140 5.873628 0.000000\n0.000000 0.000000 6.448320\nK Te\n2 6\ndirect\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.823956 0.176044 0.750000 Te\n0.352088 0.176044 0.750000 Te\n0.823956 0.647912 0.750000 Te\n0.176044 0.823956 0.250000 Te\n0.647912 0.823956 0.250000 Te\n0.176044 0.352088 0.250000 Te\n",
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"formula_full": "K2 Te6",
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{
"id": "mp-974451",
"created_at": "2022-09-04T14:42:40.534038Z",
"structure_string": "K4 Al4 O6 F4\n1.0\n4.143086 5.693476 0.000000\n-4.143086 5.693476 0.000000\n0.000000 0.136421 6.185336\nK Al O F\n4 4 6 4\ndirect\n0.841764 0.841764 0.669818 K\n0.601557 0.601557 0.255858 K\n0.398443 0.398443 0.744142 K\n0.158236 0.158236 0.330182 K\n0.924316 0.326202 0.855207 Al\n0.673798 0.075684 0.144793 Al\n0.326202 0.924316 0.855207 Al\n0.075684 0.673798 0.144793 Al\n0.000000 0.500000 0.000000 O\n0.877905 0.877905 0.233167 O\n0.737853 0.262147 0.000000 O\n0.500000 0.000000 0.000000 O\n0.262147 0.737853 0.000000 O\n0.122095 0.122095 0.766833 O\n0.816491 0.446320 0.614019 F\n0.553680 0.183509 0.385981 F\n0.446320 0.816491 0.614019 F\n0.183509 0.553680 0.385981 F\n",
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{
"id": "mp-1181463",
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"structure_string": "Ga4 C8 N4 Cl16\n1.0\n7.377750 0.000000 0.000000\n0.000000 10.261313 0.000000\n0.000000 0.000000 12.217100\nGa C N Cl\n4 8 4 16\ndirect\n0.250000 0.238644 0.021451 Ga\n0.250000 0.261356 0.521451 Ga\n0.750000 0.761356 0.978549 Ga\n0.750000 0.738644 0.478549 Ga\n0.250000 0.784605 0.133638 C\n0.250000 0.715395 0.633638 C\n0.750000 0.215395 0.866362 C\n0.750000 0.284605 0.366362 C\n0.250000 0.018280 0.200282 C\n0.250000 0.481720 0.700282 C\n0.750000 0.981720 0.799718 C\n0.750000 0.518280 0.299718 C\n0.250000 0.899636 0.151037 N\n0.250000 0.600364 0.651037 N\n0.750000 0.100364 0.848963 N\n0.750000 0.399636 0.348963 N\n0.250000 0.178199 0.854243 Cl\n0.250000 0.321801 0.354243 Cl\n0.750000 0.821801 0.145757 Cl\n0.750000 0.678199 0.645757 Cl\n0.040964 0.118144 0.122936 Cl\n0.459036 0.381856 0.622936 Cl\n0.540964 0.881856 0.877064 Cl\n0.959036 0.618144 0.377064 Cl\n0.959036 0.881856 0.877064 Cl\n0.540964 0.618144 0.377064 Cl\n0.459036 0.118144 0.122936 Cl\n0.040964 0.381856 0.622936 Cl\n0.250000 0.438896 0.063242 Cl\n0.250000 0.061104 0.563242 Cl\n0.750000 0.561104 0.936758 Cl\n0.750000 0.938896 0.436758 Cl\n",
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"formula_full": "Ga4 C8 N4 Cl16",
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},
{
"id": "mp-1244900",
"created_at": "2022-09-04T14:42:40.363725Z",
"structure_string": "Ga32 O48\n1.0\n10.179935 0.345261 0.262737\n0.351495 10.422160 -0.016356\n0.267135 -0.009703 9.865022\nGa O\n32 48\ndirect\n0.136055 0.776517 0.093505 Ga\n0.894974 0.173290 0.692651 Ga\n0.396234 0.866375 0.276403 Ga\n0.228424 0.249792 0.979717 Ga\n0.360574 0.695201 0.800323 Ga\n0.065161 0.263363 0.407624 Ga\n0.807535 0.472615 0.784809 Ga\n0.911722 0.772616 0.387087 Ga\n0.112358 0.014332 0.867573 Ga\n0.528102 0.209286 0.017010 Ga\n0.583328 0.125051 0.686046 Ga\n0.101616 0.954686 0.398056 Ga\n0.874703 0.485011 0.250607 Ga\n0.406026 0.588485 0.531414 Ga\n0.754943 0.350971 0.513272 Ga\n0.059646 0.645182 0.664125 Ga\n0.255453 0.143622 0.666274 Ga\n0.816801 0.274400 0.022915 Ga\n0.329938 0.556218 0.046852 Ga\n0.875291 0.714916 0.919388 Ga\n0.406876 0.951267 0.973769 Ga\n0.418220 0.377018 0.767228 Ga\n0.145479 0.562402 0.348437 Ga\n0.486692 0.900092 0.581510 Ga\n0.045435 0.495569 0.974068 Ga\n0.597127 0.694466 0.019492 Ga\n0.001748 0.042062 0.136821 Ga\n0.364681 0.330510 0.444468 Ga\n0.752022 0.990529 0.955366 Ga\n0.639721 0.728837 0.353692 Ga\n0.565848 0.438920 0.249492 Ga\n0.813473 0.888617 0.639292 Ga\n0.238226 0.691616 0.949892 O\n0.238172 0.640297 0.668301 O\n0.644472 0.315119 0.082605 O\n0.736424 0.489814 0.624012 O\n0.457801 0.731450 0.633550 O\n0.573116 0.034946 0.980903 O\n0.456155 0.404913 0.586621 O\n0.540731 0.248164 0.823020 O\n0.993722 0.515256 0.792134 O\n0.037312 0.910594 0.994675 O\n0.630342 0.947083 0.682489 O\n0.082448 0.155035 0.998681 O\n0.840594 0.022176 0.784697 O\n0.754772 0.784162 0.492307 O\n0.750608 0.824264 0.000792 O\n0.741039 0.389746 0.327858 O\n0.032507 0.654297 0.473555 O\n0.292318 0.989280 0.828918 O\n0.224222 0.232339 0.493669 O\n0.265431 0.281225 0.790386 O\n0.285299 0.498100 0.433341 O\n0.298042 0.904812 0.125782 O\n0.022641 0.865442 0.249600 O\n0.924606 0.763373 0.740046 O\n0.995929 0.656686 0.043587 O\n0.742085 0.591022 0.919953 O\n0.832734 0.100255 0.079156 O\n0.915728 0.406138 0.079409 O\n0.480844 0.787038 0.907501 O\n0.843838 0.296732 0.835004 O\n0.361941 0.165261 0.060410 O\n0.936769 0.283692 0.543819 O\n0.501682 0.545196 0.106921 O\n0.219749 0.643780 0.203330 O\n0.039698 0.422900 0.318636 O\n0.527915 0.886784 0.400867 O\n0.425473 0.082802 0.603180 O\n0.952805 0.924256 0.506229 O\n0.080480 0.094482 0.702355 O\n0.419339 0.524794 0.860634 O\n0.203626 0.422986 0.031925 O\n0.818567 0.655715 0.274090 O\n0.721105 0.190113 0.587819 O\n0.540754 0.584250 0.389180 O\n0.467201 0.304091 0.294554 O\n0.267471 0.894206 0.421797 O\n0.556052 0.778321 0.187094 O\n0.056886 0.113191 0.302605 O\n",
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"formula_full": "Ga32 O48",
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{
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{
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"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.953261 0.000000 0.000000\n-1.085003 7.705406 0.000000\n-0.060999 -2.148823 7.915157\nLi Mn Co O\n6 2 2 10\ndirect\n0.794181 0.601572 0.913763 Li\n0.990929 0.993846 0.484398 Li\n0.220057 0.406928 0.108964 Li\n0.407053 0.799712 0.695499 Li\n0.585187 0.187491 0.298114 Li\n0.421401 0.811329 0.207875 Li\n0.995227 0.994611 0.008581 Mn\n0.195364 0.402536 0.596754 Mn\n0.588244 0.196132 0.795695 Co\n0.816174 0.608543 0.389669 Co\n0.428166 0.822154 0.955031 O\n0.556673 0.206132 0.556543 O\n0.798376 0.593244 0.172433 O\n0.994477 0.014104 0.766183 O\n0.183424 0.414211 0.360894 O\n0.195648 0.392280 0.840327 O\n0.431676 0.784044 0.446464 O\n0.564784 0.173984 0.039108 O\n0.829532 0.595785 0.630500 O\n0.003427 0.001364 0.233206 O\n",
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{
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"structure_string": "Cd16 Te8 Cl16 O24\n1.0\n8.370793 0.000000 0.000000\n0.000000 11.470853 0.000000\n0.000000 0.000000 16.058112\nCd Te Cl O\n16 8 16 24\ndirect\n0.895330 0.231299 0.472674 Cd\n0.653992 0.995203 0.383357 Cd\n0.604670 0.768701 0.972674 Cd\n0.895330 0.268701 0.027326 Cd\n0.846008 0.004797 0.883357 Cd\n0.346008 0.004797 0.616643 Cd\n0.104670 0.731299 0.972674 Cd\n0.653992 0.504797 0.116643 Cd\n0.395330 0.268701 0.472674 Cd\n0.846008 0.495203 0.616643 Cd\n0.153992 0.504797 0.383357 Cd\n0.104670 0.768701 0.527326 Cd\n0.395330 0.231299 0.027326 Cd\n0.604670 0.731299 0.527326 Cd\n0.346008 0.495203 0.883357 Cd\n0.153992 0.995203 0.116643 Cd\n0.286269 0.966504 0.901596 Te\n0.786269 0.533496 0.901596 Te\n0.713731 0.466504 0.401596 Te\n0.213731 0.033496 0.401596 Te\n0.713731 0.033496 0.098404 Te\n0.286269 0.533496 0.598404 Te\n0.213731 0.466504 0.098404 Te\n0.786269 0.966504 0.598404 Te\n0.346725 0.085439 0.211359 Cl\n0.428470 0.212716 0.629394 Cl\n0.153275 0.914561 0.711359 Cl\n0.428470 0.287284 0.870606 Cl\n0.846725 0.414561 0.211359 Cl\n0.653275 0.585439 0.711359 Cl\n0.346725 0.414561 0.288641 Cl\n0.071530 0.787284 0.129394 Cl\n0.653275 0.914561 0.788641 Cl\n0.153275 0.585439 0.788641 Cl\n0.571530 0.787284 0.370606 Cl\n0.071530 0.712716 0.370606 Cl\n0.846725 0.085439 0.288641 Cl\n0.928470 0.287284 0.629394 Cl\n0.928470 0.212716 0.870606 Cl\n0.571530 0.712716 0.129394 Cl\n0.197414 0.549546 0.995246 O\n0.928269 0.417269 0.418226 O\n0.147122 0.317611 0.060034 O\n0.302586 0.450454 0.495246 O\n0.852878 0.682389 0.939966 O\n0.852878 0.817611 0.560034 O\n0.571731 0.582731 0.918226 O\n0.802586 0.049546 0.495246 O\n0.147122 0.182389 0.439966 O\n0.352878 0.817611 0.939966 O\n0.071731 0.917269 0.918226 O\n0.928269 0.082731 0.081774 O\n0.697414 0.549546 0.504754 O\n0.352878 0.682389 0.560034 O\n0.071731 0.582731 0.581774 O\n0.302586 0.049546 0.004754 O\n0.647122 0.317611 0.439966 O\n0.647122 0.182389 0.060034 O\n0.802586 0.450454 0.004754 O\n0.697414 0.950454 0.995246 O\n0.197414 0.950454 0.504754 O\n0.428269 0.082731 0.418226 O\n0.571731 0.917269 0.581774 O\n0.428269 0.417269 0.081774 O\n",
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]
}