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{
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"results": [
{
"id": "mp-1232252",
"created_at": "2022-09-04T14:46:31.738353Z",
"structure_string": "Ho16 Mg8 S32\n1.0\n7.536621 0.000000 0.000000\n0.000000 12.628418 0.000000\n0.000000 0.000000 12.765275\nHo Mg S\n16 8 32\ndirect\n0.884167 0.108720 0.685595 Ho\n0.115833 0.891280 0.185595 Ho\n0.884167 0.391280 0.185595 Ho\n0.115833 0.608720 0.685595 Ho\n0.382804 0.127082 0.326138 Ho\n0.617196 0.872918 0.826138 Ho\n0.382804 0.372918 0.826138 Ho\n0.617196 0.627082 0.326138 Ho\n0.630230 0.133868 0.992276 Ho\n0.369770 0.866132 0.492276 Ho\n0.630230 0.366132 0.492276 Ho\n0.369770 0.633868 0.992276 Ho\n0.130084 0.134172 0.991571 Ho\n0.869916 0.865828 0.491571 Ho\n0.130084 0.365828 0.491571 Ho\n0.869916 0.634172 0.991571 Ho\n0.383202 0.111374 0.691576 Mg\n0.616798 0.888626 0.191576 Mg\n0.383202 0.388626 0.191576 Mg\n0.616798 0.611374 0.691576 Mg\n0.879714 0.126213 0.321373 Mg\n0.120286 0.873787 0.821373 Mg\n0.879714 0.373787 0.821373 Mg\n0.120286 0.626213 0.321373 Mg\n0.877653 0.013337 0.877593 S\n0.122347 0.986663 0.377593 S\n0.877653 0.486663 0.377593 S\n0.122347 0.513337 0.877593 S\n0.377784 0.032219 0.130697 S\n0.622216 0.967781 0.630697 S\n0.377784 0.467781 0.630697 S\n0.622216 0.532219 0.130697 S\n0.374437 0.022239 0.870372 S\n0.625563 0.977761 0.370372 S\n0.374437 0.477761 0.370372 S\n0.625563 0.522239 0.870372 S\n0.875040 0.043000 0.136516 S\n0.124960 0.957000 0.636516 S\n0.875040 0.457000 0.636516 S\n0.124960 0.543000 0.136516 S\n0.880640 0.212154 0.502180 S\n0.119360 0.787846 0.002180 S\n0.880640 0.287846 0.002180 S\n0.119360 0.712154 0.502180 S\n0.380639 0.213102 0.518889 S\n0.619361 0.786898 0.018889 S\n0.380639 0.286898 0.018889 S\n0.619361 0.713102 0.518889 S\n0.131134 0.232164 0.775321 S\n0.868866 0.767836 0.275321 S\n0.131134 0.267836 0.275321 S\n0.868866 0.732164 0.775321 S\n0.633937 0.232543 0.776905 S\n0.366063 0.767457 0.276905 S\n0.633937 0.267457 0.276905 S\n0.366063 0.732543 0.776905 S\n",
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"elements": [
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],
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"volume": 1214.9427110631345,
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"formula_full": "Ho16 Mg8 S32",
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"updated_at": "2021-11-28T01:37:36.270000Z",
"spacegroup": 29
},
{
"id": "mp-1175326",
"created_at": "2022-09-04T14:41:15.181775Z",
"structure_string": "Li14 Mn10 O24\n1.0\n-5.947035 -0.121981 0.323346\n0.121156 -0.135858 10.219080\n-2.156707 7.190742 3.016721\nLi Mn O\n14 10 24\ndirect\n0.166637 0.833365 0.333328 Li\n0.666677 0.833366 0.333332 Li\n0.918268 0.067766 0.346771 Li\n0.418312 0.067712 0.346785 Li\n0.915069 0.598933 0.319916 Li\n0.415018 0.598934 0.319923 Li\n0.087362 0.419247 0.666280 Li\n0.587446 0.419263 0.666269 Li\n0.745871 0.247303 0.000486 Li\n0.245907 0.247310 0.000474 Li\n0.271667 0.756038 0.020492 Li\n0.771709 0.756060 0.020496 Li\n0.061584 0.910558 0.646252 Li\n0.561548 0.910539 0.646235 Li\n0.666754 0.333483 0.333403 Mn\n0.008878 0.993739 0.012732 Mn\n0.324522 0.672953 0.653867 Mn\n0.843546 0.166501 0.670912 Mn\n0.489649 0.500152 0.995603 Mn\n0.166751 0.333281 0.333337 Mn\n0.508757 0.993673 0.012638 Mn\n0.824585 0.672978 0.654050 Mn\n0.343612 0.166487 0.671018 Mn\n0.989797 0.500186 0.995711 Mn\n0.207640 0.035462 0.147415 O\n0.707581 0.035454 0.147407 O\n0.125717 0.631210 0.519253 O\n0.625774 0.631208 0.519244 O\n0.890798 0.364441 0.503339 O\n0.390653 0.364528 0.503388 O\n0.942594 0.302244 0.163311 O\n0.442719 0.302153 0.163238 O\n0.017998 0.696479 0.813123 O\n0.517915 0.696498 0.813117 O\n0.815361 0.970203 0.853497 O\n0.315363 0.970170 0.853531 O\n0.862312 0.861004 0.515674 O\n0.362342 0.860898 0.515637 O\n0.970997 0.805796 0.150987 O\n0.470989 0.805664 0.151009 O\n0.064109 0.195586 0.838329 O\n0.564072 0.195554 0.838294 O\n0.769211 0.471122 0.828354 O\n0.269251 0.471085 0.828296 O\n0.217412 0.534769 0.167007 O\n0.717323 0.534928 0.166914 O\n0.116017 0.131775 0.499723 O\n0.615925 0.131938 0.499605 O\n",
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"elements": [
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"Mn",
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"volume": 442.3619066505577,
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"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
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"energy": -339.3286485,
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"updated_at": "2021-11-28T01:35:18.854000Z",
"spacegroup": 2
},
{
"id": "mp-585339",
"created_at": "2022-09-04T14:39:25.508512Z",
"structure_string": "Li2 Cu4 P10 O32\n1.0\n6.718824 0.000000 0.000000\n0.000000 4.965341 0.000000\n0.000000 0.149678 18.542793\nLi Cu P O\n2 4 10 32\ndirect\n0.624172 0.264378 0.528021 Li\n0.375828 0.264378 0.028021 Li\n0.178460 0.255506 0.591669 Cu\n0.821540 0.255506 0.091669 Cu\n0.179264 0.745500 0.907705 Cu\n0.820736 0.745500 0.407705 Cu\n0.462996 0.265503 0.869586 P\n0.875605 0.767373 0.579210 P\n0.537004 0.265503 0.369586 P\n0.753473 0.994919 0.250012 P\n0.873297 0.229041 0.922349 P\n0.126703 0.229041 0.422349 P\n0.533229 0.739537 0.130584 P\n0.124395 0.767373 0.079210 P\n0.246527 0.994919 0.750012 P\n0.466771 0.739537 0.630584 P\n0.566637 0.563976 0.381671 O\n0.597234 0.189046 0.288905 O\n0.064909 0.935260 0.432755 O\n0.634192 0.082323 0.425663 O\n0.226678 0.347808 0.489597 O\n0.955218 0.607574 0.113085 O\n0.132805 0.156293 0.694959 O\n0.123598 0.843024 0.804454 O\n0.441629 0.444259 0.610831 O\n0.044782 0.607574 0.613085 O\n0.965989 0.402300 0.387146 O\n0.081342 0.069125 0.068165 O\n0.393706 0.783198 0.711290 O\n0.223441 0.634445 0.013447 O\n0.606294 0.783198 0.211290 O\n0.299154 0.773004 0.141258 O\n0.385536 0.948960 0.578582 O\n0.935091 0.935260 0.932755 O\n0.918658 0.069125 0.568165 O\n0.614464 0.948960 0.078582 O\n0.034011 0.402300 0.887146 O\n0.773322 0.347808 0.989597 O\n0.700846 0.773004 0.641258 O\n0.365808 0.082323 0.925663 O\n0.433363 0.563976 0.881671 O\n0.876402 0.843024 0.304454 O\n0.776559 0.634445 0.513447 O\n0.304794 0.216176 0.362473 O\n0.695206 0.216176 0.862473 O\n0.402766 0.189046 0.788905 O\n0.558371 0.444259 0.110831 O\n0.867195 0.156293 0.194959 O\n",
"nsites": 48,
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"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 2.9253120338924306,
"density_atomic": 0.07759321429584046,
"volume": 618.6107952299785,
"volume_molar": 7.761169342771806,
"formula_full": "Li2 Cu4 P10 O32",
"formula_reduced": "LiCu2P5O16",
"formula_anonymous": "AB2C5D16",
"energy": -339.33045062,
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"updated_at": "2021-11-28T01:34:43.553000Z",
"spacegroup": 7
},
{
"id": "mp-1216441",
"created_at": "2022-09-04T14:43:06.627554Z",
"structure_string": "Zr14 Cu51\n1.0\n5.633702 -9.757859 0.000000\n5.633702 9.757859 0.000000\n0.000000 0.000000 8.337365\nZr Cu\n14 51\ndirect\n0.333333 0.666667 0.688649 Zr\n0.333333 0.666667 0.311351 Zr\n0.447481 0.396351 0.000000 Zr\n0.948870 0.552519 0.000000 Zr\n0.603649 0.051130 0.000000 Zr\n0.218471 0.944133 0.000000 Zr\n0.725661 0.781529 0.000000 Zr\n0.055867 0.274339 0.000000 Zr\n0.802912 0.993361 0.500000 Zr\n0.190449 0.197088 0.500000 Zr\n0.006639 0.809551 0.500000 Zr\n0.860418 0.337797 0.500000 Zr\n0.477379 0.139582 0.500000 Zr\n0.662203 0.522621 0.500000 Zr\n0.390959 0.485042 0.500000 Cu\n0.094083 0.609041 0.500000 Cu\n0.514958 0.905917 0.500000 Cu\n0.273571 0.847694 0.500000 Cu\n0.574123 0.726429 0.500000 Cu\n0.152306 0.425877 0.500000 Cu\n0.528819 0.591083 0.753951 Cu\n0.062264 0.471181 0.753951 Cu\n0.408917 0.937736 0.753951 Cu\n0.144795 0.738922 0.768029 Cu\n0.594127 0.855205 0.768029 Cu\n0.261078 0.405873 0.768029 Cu\n0.144795 0.738922 0.231971 Cu\n0.594127 0.855205 0.231971 Cu\n0.261078 0.405873 0.231971 Cu\n0.528819 0.591083 0.246049 Cu\n0.062264 0.471181 0.246049 Cu\n0.408917 0.937736 0.246049 Cu\n0.000000 0.000000 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.436810 0.333754 0.671042 Cu\n0.896944 0.563190 0.671042 Cu\n0.666246 0.103056 0.671042 Cu\n0.228633 0.000944 0.670558 Cu\n0.772311 0.771367 0.670558 Cu\n0.999056 0.227689 0.670558 Cu\n0.228633 0.000944 0.329442 Cu\n0.772311 0.771367 0.329442 Cu\n0.999056 0.227689 0.329442 Cu\n0.436810 0.333754 0.328958 Cu\n0.896944 0.563190 0.328958 Cu\n0.666246 0.103056 0.328958 Cu\n0.000000 0.000000 0.707193 Cu\n0.666667 0.333333 0.707600 Cu\n0.666667 0.333333 0.292400 Cu\n0.000000 0.000000 0.292807 Cu\n0.826402 0.044564 0.847101 Cu\n0.218163 0.173598 0.847101 Cu\n0.955436 0.781837 0.847101 Cu\n0.836129 0.285253 0.847786 Cu\n0.449124 0.163871 0.847786 Cu\n0.714747 0.550876 0.847786 Cu\n0.836129 0.285253 0.152214 Cu\n0.449124 0.163871 0.152214 Cu\n0.714747 0.550876 0.152214 Cu\n0.826402 0.044564 0.152899 Cu\n0.218163 0.173598 0.152899 Cu\n0.955436 0.781837 0.152899 Cu\n0.449097 0.649052 0.000000 Cu\n0.199955 0.550903 0.000000 Cu\n0.350948 0.800045 0.000000 Cu\n",
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"volume": 916.6577606401639,
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"formula_full": "Zr14 Cu51",
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"formula_anonymous": "A14B51",
"energy": -339.33104602,
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"spacegroup": 174
},
{
"id": "mp-685863",
"created_at": "2022-09-04T14:42:44.490981Z",
"structure_string": "Li24 Si6 O24\n1.0\n5.282175 0.000000 0.000000\n-0.035318 5.533236 0.000000\n-0.047112 -0.670820 18.247132\nLi Si O\n24 6 24\ndirect\n0.185509 0.987492 0.904943 Li\n0.116190 0.897233 0.544766 Li\n0.189951 0.968504 0.234819 Li\n0.367968 0.843305 0.673485 Li\n0.483467 0.820371 0.417769 Li\n0.517277 0.685405 0.799110 Li\n0.464920 0.830559 0.094444 Li\n0.785096 0.168748 0.662904 Li\n0.655402 0.168541 0.983903 Li\n0.781883 0.157895 0.316488 Li\n0.791640 0.183913 0.838554 Li\n0.653488 0.153332 0.506334 Li\n0.758432 0.168487 0.169324 Li\n0.965897 0.864489 0.748846 Li\n0.820420 0.555906 0.423382 Li\n0.831489 0.592231 0.088978 Li\n0.023826 0.952140 0.058780 Li\n0.025062 0.910508 0.398356 Li\n0.067390 0.547134 0.844627 Li\n0.082011 0.492591 0.646454 Li\n0.145294 0.468427 0.965808 Li\n0.136974 0.411113 0.523901 Li\n0.088434 0.526243 0.311035 Li\n0.131239 0.465743 0.189382 Li\n0.317561 0.282321 0.403029 Si\n0.302761 0.292147 0.747883 Si\n0.331790 0.300807 0.077674 Si\n0.669959 0.683342 0.926856 Si\n0.652968 0.661032 0.577917 Si\n0.654588 0.670942 0.251291 Si\n0.163088 0.189813 0.820166 O\n0.180022 0.148269 0.674809 O\n0.241527 0.110411 0.472857 O\n0.179494 0.158345 0.330790 O\n0.207135 0.138953 0.142733 O\n0.259915 0.157306 0.999709 O\n0.194492 0.556311 0.417734 O\n0.219750 0.589080 0.742511 O\n0.199783 0.571413 0.080403 O\n0.366526 0.672392 0.905509 O\n0.345388 0.655516 0.251344 O\n0.340127 0.641406 0.580329 O\n0.610262 0.282708 0.752096 O\n0.625592 0.282246 0.405158 O\n0.638475 0.310802 0.083841 O\n0.805666 0.416695 0.923866 O\n0.800998 0.396931 0.574958 O\n0.807876 0.411141 0.244319 O\n0.738493 0.813784 0.653404 O\n0.747560 0.805070 0.503634 O\n0.754609 0.791241 0.332628 O\n0.729375 0.821606 0.006875 O\n0.805279 0.826083 0.856947 O\n0.746683 0.827577 0.180339 O\n",
"nsites": 54,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Li-O-Si",
"density": 2.2389339638318244,
"density_atomic": 0.10125282913378415,
"volume": 533.3184313166247,
"volume_molar": 5.947627154242789,
"formula_full": "Li24 Si6 O24",
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"energy": -339.33330867,
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"spacegroup": 1
},
{
"id": "mp-772241",
"created_at": "2022-09-04T14:39:20.584405Z",
"structure_string": "Li12 Mn4 Al8 O24\n1.0\n-5.893852 -5.133420 1.216033\n5.958176 -5.192419 1.193019\n-0.010724 5.527085 6.616887\nLi Mn Al O\n12 4 8 24\ndirect\n0.455887 0.621868 0.917054 Li\n0.955898 0.121876 0.917060 Li\n0.044104 0.878125 0.082942 Li\n0.544114 0.378130 0.082947 Li\n0.949920 0.290159 0.243332 Li\n0.449910 0.790163 0.243332 Li\n0.550091 0.209840 0.756670 Li\n0.050079 0.709838 0.756670 Li\n0.289202 0.635147 0.597478 Li\n0.789211 0.135147 0.597475 Li\n0.210788 0.864853 0.402522 Li\n0.710799 0.364850 0.402525 Li\n0.294854 0.465535 0.257899 Mn\n0.705153 0.534476 0.742116 Mn\n0.794819 0.965536 0.257872 Mn\n0.205166 0.034457 0.742105 Mn\n0.621601 0.797065 0.581454 Al\n0.121597 0.297058 0.581460 Al\n0.878403 0.702940 0.418537 Al\n0.378406 0.202938 0.418545 Al\n0.624539 0.957633 0.912940 Al\n0.124540 0.457631 0.912949 Al\n0.875463 0.542369 0.087052 Al\n0.375457 0.042371 0.087057 Al\n0.227652 0.364277 0.421461 O\n0.727639 0.864270 0.421451 O\n0.272355 0.135726 0.578545 O\n0.772350 0.635726 0.578542 O\n0.554242 0.725850 0.757920 O\n0.054250 0.225849 0.757924 O\n0.945750 0.774151 0.242078 O\n0.445756 0.274150 0.242080 O\n0.349537 0.530382 0.080444 O\n0.849523 0.030372 0.080431 O\n0.150471 0.969624 0.919565 O\n0.650466 0.469622 0.919561 O\n0.395545 0.711899 0.426784 O\n0.895549 0.211883 0.426774 O\n0.104452 0.788110 0.573223 O\n0.604459 0.288108 0.573225 O\n0.696849 0.018994 0.745480 O\n0.196844 0.518998 0.745480 O\n0.803156 0.481001 0.254520 O\n0.303151 0.981005 0.254519 O\n0.035424 0.390955 0.079734 O\n0.535407 0.890945 0.079720 O\n0.464588 0.109051 0.920276 O\n0.964579 0.609046 0.920270 O\n",
"nsites": 48,
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"elements": [
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"Mn",
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"O"
],
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"density": 3.099018615613042,
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"volume": 483.78895610126153,
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"formula_full": "Li12 Mn4 Al8 O24",
"formula_reduced": "Li3MnAl2O6",
"formula_anonymous": "AB2C3D6",
"energy": -339.34727273000004,
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