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{
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"results": [
{
"id": "mp-694894",
"created_at": "2022-09-04T14:42:06.500027Z",
"structure_string": "Li2 Mn24 O48\n1.0\n8.278722 0.000000 0.000000\n0.000000 8.280840 0.000000\n0.000000 4.119218 12.438346\nLi Mn O\n2 24 48\ndirect\n0.374764 0.500000 0.750000 Li\n0.625236 0.500000 0.250000 Li\n0.499723 0.165343 0.166903 Mn\n0.249968 0.750735 0.498776 Mn\n0.999000 0.667236 0.666272 Mn\n0.001000 0.667236 0.166272 Mn\n0.751207 0.583853 0.833072 Mn\n0.751207 0.416147 0.666928 Mn\n0.500000 0.500000 0.500000 Mn\n0.750032 0.249265 0.501224 Mn\n0.249968 0.249265 0.001224 Mn\n0.500277 0.165343 0.666903 Mn\n0.999000 0.332764 0.833728 Mn\n0.249578 0.082170 0.833702 Mn\n0.000000 0.000000 0.000000 Mn\n0.750422 0.082170 0.333702 Mn\n0.249578 0.917830 0.666298 Mn\n0.000000 0.000000 0.500000 Mn\n0.750422 0.917830 0.166298 Mn\n0.750032 0.750735 0.998776 Mn\n0.499723 0.834657 0.333097 Mn\n0.500277 0.834657 0.833097 Mn\n0.500000 0.500000 0.000000 Mn\n0.248793 0.583853 0.333072 Mn\n0.248793 0.416147 0.166928 Mn\n0.001000 0.332764 0.333728 Mn\n0.515306 0.073789 0.323184 O\n0.234660 0.979472 0.510395 O\n0.264810 0.813396 0.343403 O\n0.015319 0.760295 0.510293 O\n0.985475 0.573124 0.823102 O\n0.764995 0.646304 0.676894 O\n0.014525 0.573124 0.323102 O\n0.514096 0.594170 0.839668 O\n0.764995 0.353696 0.823106 O\n0.735330 0.478640 0.510841 O\n0.264670 0.478640 0.010841 O\n0.763066 0.315367 0.342338 O\n0.514096 0.405830 0.660332 O\n0.484176 0.259406 0.010762 O\n0.515824 0.259406 0.510762 O\n0.264810 0.186604 0.156597 O\n0.236934 0.315367 0.842338 O\n0.484694 0.073789 0.823184 O\n0.265027 0.146364 0.676966 O\n0.015319 0.239705 0.989707 O\n0.234660 0.020528 0.989605 O\n0.984737 0.093636 0.343629 O\n0.265027 0.853636 0.823034 O\n0.015263 0.093636 0.843629 O\n0.734973 0.146364 0.176966 O\n0.984737 0.906364 0.156371 O\n0.765340 0.979472 0.010395 O\n0.015263 0.906364 0.656371 O\n0.984681 0.760295 0.010293 O\n0.734973 0.853636 0.323034 O\n0.763066 0.684633 0.157662 O\n0.515306 0.926211 0.176816 O\n0.735190 0.813396 0.843403 O\n0.484176 0.740594 0.489238 O\n0.515824 0.740594 0.989238 O\n0.236934 0.684633 0.657662 O\n0.735330 0.521360 0.989159 O\n0.485904 0.594170 0.339668 O\n0.264670 0.521360 0.489159 O\n0.235005 0.646304 0.176894 O\n0.485904 0.405830 0.160332 O\n0.235005 0.353696 0.323106 O\n0.985475 0.426876 0.676898 O\n0.014525 0.426876 0.176898 O\n0.984681 0.239705 0.489707 O\n0.735190 0.186604 0.656597 O\n0.765340 0.020528 0.489605 O\n0.484694 0.926211 0.676816 O\n",
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"Mn",
"O"
],
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"volume": 852.7079776504494,
"volume_molar": 6.939361444035055,
"formula_full": "Li2 Mn24 O48",
"formula_reduced": "LiMn12O24",
"formula_anonymous": "AB12C24",
"energy": -595.92289223,
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"updated_at": "2021-11-28T01:35:32.480000Z",
"spacegroup": 13
},
{
"id": "mp-1019535",
"created_at": "2022-09-04T14:46:59.779733Z",
"structure_string": "Ba1 Al2 Si2 O8\n1.0\n2.672505 -4.628914 0.000000\n2.672505 4.628914 0.000000\n0.000000 0.000000 7.963289\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.703067 Al\n0.333333 0.666667 0.296933 Al\n0.666667 0.333333 0.286472 Si\n0.333333 0.666667 0.713528 Si\n0.666667 0.333333 0.487414 O\n0.333333 0.666667 0.512586 O\n0.562372 0.988771 0.790429 O\n0.426400 0.437628 0.790429 O\n0.011229 0.573600 0.790429 O\n0.437628 0.011229 0.209571 O\n0.573600 0.562372 0.209571 O\n0.988771 0.426400 0.209571 O\n",
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"elements": [
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"Si",
"O"
],
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"density": 3.164377994023125,
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"volume": 197.02444438318975,
"volume_molar": 9.126991824895077,
"formula_full": "Ba1 Al2 Si2 O8",
"formula_reduced": "BaAl2(SiO4)2",
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"energy": -104.68985621,
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"updated_at": "2021-11-28T01:37:50.994000Z",
"spacegroup": 147
},
{
"id": "mp-1220593",
"created_at": "2022-09-04T14:47:57.494281Z",
"structure_string": "Nd2 Fe20 Si2 C1\n1.0\n-0.003870 0.018756 6.395333\n-5.019763 5.099769 3.215056\n-5.000647 -5.084578 -3.209227\nNd Fe Si C\n2 20 2 1\ndirect\n0.374525 0.750254 0.253429 Nd\n0.625475 0.249746 0.746571 Nd\n0.178671 0.582492 0.825819 Fe\n0.434715 0.323992 0.080088 Fe\n0.271438 0.419997 0.332409 Fe\n0.857262 0.833617 0.918122 Fe\n0.193057 0.166929 0.421921 Fe\n0.438027 0.919985 0.670720 Fe\n0.257421 0.676400 0.576894 Fe\n0.858218 0.078011 0.174906 Fe\n0.821329 0.417508 0.174181 Fe\n0.565285 0.676008 0.919912 Fe\n0.728562 0.580003 0.667591 Fe\n0.142738 0.166383 0.081878 Fe\n0.806943 0.833071 0.578079 Fe\n0.561973 0.080015 0.329280 Fe\n0.742579 0.323600 0.423106 Fe\n0.141782 0.921989 0.825094 Fe\n0.122835 0.247748 0.748754 Fe\n0.877165 0.752252 0.251246 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 C\n",
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"elements": [
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"Si",
"C"
],
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"formula_full": "Nd2 Fe20 Si2 C1",
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"energy": -201.3272278,
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"updated_at": "2021-11-28T01:38:23.107000Z",
"spacegroup": 2
},
{
"id": "mp-1244917",
"created_at": "2022-09-04T14:41:16.122517Z",
"structure_string": "B50 N50\n1.0\n11.491463 -0.345848 0.839976\n-0.324141 10.987723 -0.113631\n0.759421 -0.100721 10.341734\nB N\n50 50\ndirect\n0.190467 0.324532 0.509637 B\n0.807977 0.863213 0.187005 B\n0.610670 0.822000 0.073433 B\n0.984670 0.880413 0.289845 B\n0.054756 0.029519 0.096911 B\n0.555587 0.056531 0.498557 B\n0.330690 0.452729 0.326312 B\n0.739259 0.201277 0.700284 B\n0.099184 0.068381 0.845699 B\n0.501223 0.506313 0.655968 B\n0.797670 0.648060 0.547901 B\n0.037807 0.008411 0.621307 B\n0.441752 0.595984 0.464318 B\n0.431497 0.681753 0.693871 B\n0.509084 0.126007 0.690371 B\n0.734288 0.841304 0.625834 B\n0.798475 0.995229 0.801246 B\n0.532332 0.613208 0.950940 B\n0.131404 0.394831 0.307129 B\n0.126556 0.404000 0.148716 B\n0.665285 0.661091 0.457940 B\n0.910796 0.179920 0.888776 B\n0.765163 0.319109 0.807107 B\n0.444040 0.909449 0.696581 B\n0.589247 0.175533 0.884763 B\n0.211123 0.441092 0.688370 B\n0.985457 0.300808 0.458436 B\n0.088359 0.550046 0.736842 B\n0.888404 0.070015 0.254021 B\n0.044604 0.175910 0.642984 B\n0.282938 0.800843 0.588695 B\n0.701687 0.073742 0.187792 B\n0.671035 0.466895 0.990799 B\n0.338326 0.260414 0.660676 B\n0.605673 0.057168 0.078379 B\n0.093254 0.901785 0.511269 B\n0.121270 0.748381 0.425721 B\n0.882384 0.614633 0.741127 B\n0.002587 0.540562 0.421737 B\n0.653267 0.591105 0.731532 B\n0.783499 0.549005 0.407164 B\n0.849484 0.151475 0.577198 B\n0.211801 0.572751 0.485126 B\n0.675436 0.669580 0.102705 B\n0.755022 0.500336 0.197563 B\n0.500758 0.927815 0.933340 B\n0.069568 0.368841 0.909450 B\n0.713607 0.155359 0.325643 B\n0.526701 0.655374 0.799733 B\n0.472425 0.452990 0.105656 B\n0.711313 0.793816 0.137137 N\n0.131341 0.449966 0.806961 N\n0.343628 0.004973 0.287459 N\n0.764480 0.461394 0.311137 N\n0.418359 0.573485 0.613865 N\n0.799794 0.998798 0.191475 N\n0.092934 0.390451 0.038318 N\n0.571620 0.697579 0.043086 N\n0.754697 0.909200 0.727098 N\n0.620519 0.136356 0.428291 N\n0.452122 0.919266 0.829957 N\n0.221838 0.718768 0.943293 N\n0.944954 0.087914 0.618694 N\n0.739330 0.392399 0.903282 N\n0.542732 0.480637 0.988761 N\n0.015693 0.412624 0.384110 N\n0.555330 0.640052 0.423782 N\n0.192197 0.818831 0.524811 N\n0.990644 0.269496 0.879303 N\n0.989200 0.616500 0.763410 N\n0.835802 0.081575 0.878992 N\n0.379293 0.795172 0.651501 N\n0.214336 0.741607 0.049102 N\n0.728518 0.762779 0.524517 N\n0.266090 0.337402 0.615693 N\n0.009890 0.022147 0.226013 N\n0.225194 0.367034 0.377507 N\n0.779005 0.619507 0.693313 N\n0.060376 0.853682 0.390738 N\n0.331784 0.561703 0.409466 N\n0.889734 0.212726 0.450972 N\n0.562734 0.932868 0.039532 N\n0.616001 0.168166 0.748339 N\n0.570457 0.154018 0.007564 N\n0.071542 0.273792 0.550615 N\n0.092509 0.036578 0.969229 N\n0.413604 0.196990 0.703919 N\n0.405189 0.428023 0.212220 N\n0.887935 0.587677 0.458974 N\n0.182743 0.548439 0.620649 N\n0.301144 0.166788 0.062396 N\n0.598013 0.476546 0.697209 N\n0.723170 0.549211 0.087369 N\n0.896020 0.811612 0.247130 N\n0.113594 0.619981 0.419141 N\n0.302903 0.068507 0.363480 N\n0.109574 0.084966 0.712322 N\n0.315188 0.246882 0.997130 N\n0.840379 0.172842 0.336272 N\n0.498173 0.006660 0.613227 N\n",
"nsites": 100,
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{
"id": "mp-18582",
"created_at": "2022-09-04T14:42:42.285236Z",
"structure_string": "Rb4 Ti2 Si12 O30\n1.0\n3.746335 6.472901 0.000000\n-3.746335 6.472901 0.000000\n0.000000 4.055789 14.834525\nRb Ti Si O\n4 2 12 30\ndirect\n0.413541 0.141981 0.689113 Rb\n0.141981 0.413541 0.189113 Rb\n0.634434 0.881866 0.021045 Rb\n0.881866 0.634434 0.521045 Rb\n0.781960 0.302370 0.096451 Ti\n0.302370 0.781960 0.596451 Ti\n0.547515 0.416675 0.458368 Si\n0.416675 0.547515 0.958368 Si\n0.640201 0.995831 0.256160 Si\n0.995831 0.640201 0.756160 Si\n0.360190 0.149734 0.445002 Si\n0.149734 0.360190 0.945002 Si\n0.528669 0.640903 0.254132 Si\n0.640903 0.528669 0.754132 Si\n0.077040 0.016504 0.934572 Si\n0.016504 0.077040 0.434572 Si\n0.066417 0.926092 0.247128 Si\n0.926092 0.066417 0.747128 Si\n0.956862 0.433897 0.024289 O\n0.433897 0.956862 0.524289 O\n0.703810 0.487865 0.185474 O\n0.487865 0.703810 0.685474 O\n0.030686 0.089754 0.156406 O\n0.089754 0.030686 0.656406 O\n0.543821 0.511732 0.037151 O\n0.511732 0.543821 0.537151 O\n0.765466 0.196783 0.466155 O\n0.196783 0.765466 0.966155 O\n0.616356 0.173620 0.171031 O\n0.173620 0.616356 0.671031 O\n0.886775 0.845292 0.272884 O\n0.845292 0.886775 0.772884 O\n0.360382 0.352071 0.470732 O\n0.352071 0.360382 0.970732 O\n0.506732 0.096934 0.348053 O\n0.096934 0.506732 0.848053 O\n0.865815 0.123859 0.002013 O\n0.123859 0.865815 0.502013 O\n0.709191 0.289375 0.739879 O\n0.289375 0.709191 0.239879 O\n0.545830 0.563630 0.858773 O\n0.563630 0.545830 0.358773 O\n0.034930 0.056602 0.830265 O\n0.056602 0.034930 0.330265 O\n0.115705 0.235041 0.430641 O\n0.235041 0.115705 0.930641 O\n0.856825 0.548436 0.733185 O\n0.548436 0.856825 0.233185 O\n",
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],
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"formula_full": "Rb4 Ti2 Si12 O30",
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{
"id": "mp-759597",
"created_at": "2022-09-04T14:39:36.301085Z",
"structure_string": "Li12 Ti3 Cr15 O36\n1.0\n-8.901318 0.000000 0.000000\n4.448128 7.721962 0.000000\n-0.031642 -0.067065 -10.260133\nLi Ti Cr O\n12 3 15 36\ndirect\n0.942244 0.563428 0.272805 Li\n0.442598 0.560584 0.230021 Li\n0.557402 0.439416 0.769979 Li\n0.057756 0.436572 0.727195 Li\n0.265714 0.206303 0.277535 Li\n0.762921 0.204432 0.225509 Li\n0.215367 0.119166 0.770622 Li\n0.713498 0.115999 0.726316 Li\n0.286502 0.884001 0.273684 Li\n0.784633 0.880834 0.229378 Li\n0.237079 0.795568 0.774491 Li\n0.734286 0.793697 0.722465 Li\n0.661752 0.334617 0.002027 Ti\n0.000000 0.000000 0.000000 Ti\n0.338248 0.665383 0.997973 Ti\n0.501380 0.332886 0.496705 Cr\n0.165146 0.333352 0.498877 Cr\n0.833828 0.335228 0.500202 Cr\n0.000803 0.332841 0.002334 Cr\n0.332337 0.334226 0.000071 Cr\n0.835245 0.002668 0.498407 Cr\n0.500000 0.000000 0.500000 Cr\n0.164755 0.997332 0.501593 Cr\n0.335432 0.002026 0.002909 Cr\n0.664568 0.997974 0.997091 Cr\n0.166172 0.664772 0.499798 Cr\n0.834854 0.666648 0.501123 Cr\n0.498620 0.667114 0.503295 Cr\n0.999197 0.667159 0.997666 Cr\n0.667663 0.665774 0.999929 Cr\n0.952074 0.554039 0.600346 O\n0.613743 0.559672 0.603243 O\n0.115981 0.558692 0.896109 O\n0.446722 0.556026 0.896935 O\n0.769957 0.547150 0.898562 O\n0.267750 0.555659 0.599343 O\n0.732250 0.444341 0.400657 O\n0.230043 0.452850 0.101438 O\n0.553278 0.443974 0.103065 O\n0.884019 0.441308 0.103891 O\n0.047926 0.445961 0.399654 O\n0.386257 0.440328 0.396757 O\n0.278546 0.221584 0.598829 O\n0.938684 0.227553 0.603154 O\n0.445509 0.226266 0.894767 O\n0.777309 0.222981 0.900030 O\n0.108947 0.215972 0.899195 O\n0.619470 0.225665 0.597635 O\n0.057992 0.109662 0.402910 O\n0.561775 0.116685 0.101349 O\n0.883641 0.105059 0.104492 O\n0.218696 0.111298 0.102424 O\n0.726810 0.115973 0.399686 O\n0.380121 0.104375 0.396181 O\n0.273190 0.884027 0.600314 O\n0.619879 0.895625 0.603819 O\n0.781304 0.888702 0.897576 O\n0.116359 0.894941 0.895508 O\n0.438225 0.883315 0.898651 O\n0.942008 0.890338 0.597090 O\n0.380530 0.774335 0.402365 O\n0.891053 0.784028 0.100805 O\n0.222691 0.777019 0.099970 O\n0.554491 0.773734 0.105233 O\n0.061316 0.772447 0.396846 O\n0.721454 0.778416 0.401171 O\n",
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}