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{
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{
"id": "mp-778004",
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"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n5.243756 0.000000 0.000000\n0.053924 9.042003 0.000000\n0.136328 0.178403 10.394848\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.149684 0.173853 0.667476 Li\n0.185423 0.162979 0.166533 Li\n0.322374 0.333219 0.415585 Li\n0.336134 0.326406 0.917339 Li\n0.649638 0.673220 0.668649 Li\n0.686013 0.659793 0.166037 Li\n0.821326 0.832255 0.417837 Li\n0.836878 0.823918 0.915905 Li\n0.675526 0.999449 0.135067 Mn\n0.178237 0.503764 0.133618 Fe\n0.161490 0.841437 0.633685 Fe\n0.337542 0.662619 0.384391 Fe\n0.336447 0.997823 0.882042 Fe\n0.655067 0.341160 0.630889 Fe\n0.837052 0.162792 0.384510 Fe\n0.836275 0.492616 0.881260 Fe\n0.171242 0.829246 0.124556 B\n0.160715 0.502213 0.625823 B\n0.332231 0.996897 0.377618 B\n0.328252 0.666450 0.875149 B\n0.672821 0.332410 0.127163 B\n0.662679 0.000915 0.625775 B\n0.833828 0.497536 0.376554 B\n0.826978 0.165803 0.874780 B\n0.093447 0.485807 0.346875 O\n0.088613 0.172507 0.862020 O\n0.177109 0.790752 0.844717 O\n0.194140 0.873331 0.415438 O\n0.214213 0.134443 0.364372 O\n0.210170 0.535514 0.916038 O\n0.277062 0.363931 0.613536 O\n0.287404 0.964851 0.095047 O\n0.300525 0.628622 0.595562 O\n0.318591 0.708461 0.165634 O\n0.409990 0.320188 0.113652 O\n0.406277 0.011959 0.663713 O\n0.593773 0.986172 0.348993 O\n0.589851 0.674505 0.862381 O\n0.678090 0.291738 0.846293 O\n0.695194 0.373616 0.417309 O\n0.714369 0.633779 0.363374 O\n0.708171 0.034372 0.913998 O\n0.793201 0.465338 0.096184 O\n0.777751 0.863703 0.613255 O\n0.801945 0.129293 0.597408 O\n0.818620 0.210855 0.167666 O\n0.910643 0.815101 0.111116 O\n0.906401 0.511788 0.664776 O\n",
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],
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"formula_full": "Li8 Mn1 Fe7 B8 O24",
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},
{
"id": "mp-775903",
"created_at": "2022-09-04T14:42:09.694758Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n0.411942 -7.098473 0.263103\n-8.658641 0.256892 0.068563\n0.525587 2.997093 -9.755924\nLi Mn P O\n8 4 8 28\ndirect\n0.626493 0.851166 0.292622 Li\n0.626430 0.851205 0.792591 Li\n0.337171 0.676917 0.007916 Li\n0.337190 0.676851 0.507871 Li\n0.927121 0.399665 0.028000 Li\n0.927053 0.399538 0.528036 Li\n0.375525 0.155543 0.209798 Li\n0.375521 0.155443 0.709768 Li\n0.507196 0.494724 0.754462 Mn\n0.005110 0.004679 0.500341 Mn\n0.507476 0.494570 0.254587 Mn\n0.004874 0.004874 0.000722 Mn\n0.183667 0.797980 0.273787 P\n0.183667 0.797975 0.773889 P\n0.770623 0.690681 0.063206 P\n0.770638 0.690641 0.563284 P\n0.226740 0.317729 0.435161 P\n0.226703 0.317714 0.935171 P\n0.816227 0.204191 0.231626 P\n0.816222 0.204197 0.731626 P\n0.210937 0.945444 0.202611 O\n0.210982 0.945322 0.702519 O\n0.763887 0.841063 0.491551 O\n0.763727 0.841104 0.991579 O\n0.139749 0.820062 0.409692 O\n0.139768 0.820262 0.909762 O\n0.629199 0.686428 0.150665 O\n0.629024 0.686471 0.650573 O\n0.364008 0.702947 0.298523 O\n0.363940 0.702879 0.798643 O\n0.997318 0.680759 0.165830 O\n0.997237 0.680759 0.665944 O\n0.731256 0.544091 0.463857 O\n0.731181 0.544109 0.963815 O\n0.269606 0.462418 0.038611 O\n0.269476 0.462399 0.538600 O\n0.984897 0.321260 0.356281 O\n0.984931 0.321312 0.856262 O\n0.628784 0.286416 0.210838 O\n0.628787 0.286507 0.710739 O\n0.328811 0.327114 0.325910 O\n0.328841 0.326961 0.825919 O\n0.892095 0.201384 0.107867 O\n0.892125 0.201267 0.607881 O\n0.247459 0.167056 0.007183 O\n0.247551 0.167032 0.507144 O\n0.799098 0.046650 0.291685 O\n0.799016 0.046742 0.791760 O\n",
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"formula_full": "Li8 Mn4 P8 O28",
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"updated_at": "2021-11-28T01:35:38.207000Z",
"spacegroup": 1
},
{
"id": "mp-1212607",
"created_at": "2022-09-04T14:48:26.611852Z",
"structure_string": "H16 C4 N24 O8\n1.0\n13.507454 0.000000 0.000000\n0.000000 5.157158 0.000000\n0.000000 0.209200 8.701028\nH C N O\n16 4 24 8\ndirect\n0.824101 0.180075 0.205425 H\n0.175899 0.819925 0.794575 H\n0.324101 0.819925 0.294575 H\n0.675899 0.180075 0.705425 H\n0.368732 0.549717 0.216100 H\n0.631268 0.450283 0.783900 H\n0.868732 0.450283 0.283900 H\n0.131268 0.549717 0.716100 H\n0.360798 0.555816 0.409736 H\n0.639202 0.444184 0.590264 H\n0.860798 0.444184 0.090264 H\n0.139202 0.555816 0.909736 H\n0.447416 0.738328 0.316393 H\n0.552584 0.261672 0.683607 H\n0.947416 0.261672 0.183607 H\n0.052584 0.738328 0.816393 H\n0.133109 0.033679 0.241881 C\n0.866891 0.966321 0.758119 C\n0.633109 0.966321 0.258119 C\n0.366891 0.033679 0.741881 C\n0.585836 0.156128 0.158328 N\n0.414164 0.843872 0.841672 N\n0.085836 0.843872 0.341672 N\n0.914164 0.156128 0.658328 N\n0.152964 0.342129 0.083015 N\n0.847036 0.657871 0.916985 N\n0.652964 0.657871 0.416985 N\n0.347036 0.342129 0.583015 N\n0.231238 0.061761 0.228980 N\n0.768762 0.938239 0.771020 N\n0.731238 0.938239 0.271020 N\n0.268762 0.061761 0.728980 N\n0.375001 0.667248 0.309392 N\n0.624999 0.332752 0.690608 N\n0.875001 0.332752 0.190608 N\n0.124999 0.667248 0.809392 N\n0.082407 0.202184 0.153293 N\n0.917593 0.797816 0.846707 N\n0.582407 0.797816 0.346707 N\n0.417593 0.202184 0.653293 N\n0.242552 0.257251 0.127652 N\n0.757448 0.742749 0.872348 N\n0.742552 0.742749 0.372348 N\n0.257448 0.257251 0.627652 N\n0.494232 0.174365 0.166059 O\n0.505768 0.825635 0.833941 O\n0.994232 0.825635 0.333941 O\n0.005768 0.174365 0.666059 O\n0.640098 0.288195 0.071620 O\n0.359902 0.711805 0.928380 O\n0.140098 0.711805 0.428380 O\n0.859902 0.288195 0.571620 O\n",
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"N",
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],
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"density": 1.4474262652125978,
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"volume": 606.114258321409,
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"formula_full": "H16 C4 N24 O8",
"formula_reduced": "H4C(N3O)2",
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"updated_at": "2021-11-28T01:39:19.739000Z",
"spacegroup": 14
},
{
"id": "mp-766817",
"created_at": "2022-09-04T14:45:11.674698Z",
"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n4.977591 0.000000 0.000000\n-0.727339 8.409323 0.000000\n-0.011641 -0.070970 12.921350\nLi Co P C O\n12 4 4 4 28\ndirect\n0.235091 0.097908 0.124817 Li\n0.231593 0.101480 0.629464 Li\n0.752327 0.278916 0.514991 Li\n0.748182 0.273068 0.247701 Li\n0.764634 0.280557 0.740086 Li\n0.221247 0.347822 0.868800 Li\n0.245221 0.718983 0.981618 Li\n0.247340 0.720962 0.264013 Li\n0.250028 0.724652 0.493253 Li\n0.249319 0.719995 0.762925 Li\n0.766309 0.902134 0.378280 Li\n0.765600 0.900825 0.870980 Li\n0.753803 0.261232 0.996588 Co\n0.208869 0.332356 0.376328 Co\n0.793451 0.666373 0.124496 Co\n0.791620 0.666793 0.625617 Co\n0.273100 0.412723 0.123741 P\n0.277365 0.411521 0.625840 P\n0.719838 0.586901 0.374144 P\n0.715236 0.586227 0.876790 P\n0.298405 0.037150 0.373046 C\n0.295309 0.040275 0.881452 C\n0.702816 0.961653 0.624714 C\n0.704775 0.962576 0.122780 C\n0.046821 0.070749 0.881885 O\n0.051237 0.072810 0.373818 O\n0.644404 0.111999 0.117579 O\n0.638038 0.106772 0.625071 O\n0.488995 0.153983 0.370580 O\n0.487429 0.156575 0.885336 O\n0.173268 0.308160 0.530421 O\n0.156771 0.309922 0.031401 O\n0.179395 0.310257 0.219337 O\n0.176085 0.309523 0.718385 O\n0.825633 0.420354 0.374098 O\n0.822031 0.419177 0.876352 O\n0.592827 0.433406 0.623627 O\n0.589454 0.427890 0.116793 O\n0.406082 0.567108 0.373533 O\n0.405213 0.571698 0.877002 O\n0.177140 0.581273 0.126774 O\n0.171998 0.579205 0.624302 O\n0.825467 0.691932 0.467522 O\n0.823909 0.689926 0.280011 O\n0.827553 0.687658 0.782982 O\n0.827541 0.690870 0.970402 O\n0.512346 0.850571 0.125649 O\n0.514188 0.843076 0.624765 O\n0.360626 0.891287 0.374723 O\n0.362190 0.894439 0.874577 O\n0.951247 0.929232 0.126008 O\n0.950639 0.927068 0.624604 O\n",
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"elements": [
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"formula_full": "Li12 Co4 P4 C4 O28",
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"spacegroup": 1
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{
"id": "mp-704183",
"created_at": "2022-09-04T14:40:19.116577Z",
"structure_string": "Li4 Mo8 P4 O32\n1.0\n5.365808 0.000000 0.000000\n0.000000 6.789487 0.000000\n0.000000 0.287361 17.917262\nLi Mo P O\n4 8 4 32\ndirect\n0.788912 0.741226 0.782182 Li\n0.288912 0.258774 0.217818 Li\n0.787706 0.753650 0.291866 Li\n0.287706 0.246350 0.708134 Li\n0.728704 0.842017 0.452835 Mo\n0.229842 0.339797 0.048126 Mo\n0.228704 0.157983 0.547165 Mo\n0.737429 0.993863 0.122253 Mo\n0.729842 0.660203 0.951874 Mo\n0.237429 0.006137 0.877747 Mo\n0.224725 0.498482 0.374530 Mo\n0.724725 0.501518 0.625470 Mo\n0.218854 0.697016 0.189988 P\n0.727061 0.195874 0.305593 P\n0.718854 0.302984 0.810012 P\n0.227061 0.804126 0.694407 P\n0.461483 0.528486 0.991266 O\n0.458327 0.327766 0.607049 O\n0.744957 0.001905 0.352265 O\n0.684264 0.133909 0.224209 O\n0.405072 0.845208 0.159882 O\n0.740798 0.837556 0.042302 O\n0.718179 0.660838 0.544535 O\n0.018978 0.796457 0.915915 O\n0.240798 0.162444 0.957698 O\n0.961483 0.471514 0.008734 O\n0.447254 0.218374 0.810038 O\n0.218179 0.339162 0.455465 O\n0.947254 0.781626 0.189962 O\n0.280165 0.646293 0.272819 O\n0.230744 0.496168 0.148893 O\n0.469600 0.682794 0.689070 O\n0.958327 0.672234 0.392951 O\n0.029071 0.146200 0.109204 O\n0.730744 0.503832 0.851107 O\n0.244957 0.998095 0.647735 O\n0.529071 0.853800 0.890796 O\n0.990064 0.689442 0.675220 O\n0.969600 0.317206 0.310930 O\n0.469111 0.685303 0.411654 O\n0.969111 0.314697 0.588346 O\n0.518978 0.203543 0.084085 O\n0.905072 0.154792 0.840118 O\n0.780165 0.353707 0.727181 O\n0.473899 0.012750 0.503043 O\n0.973899 0.987250 0.496957 O\n0.490064 0.310558 0.324780 O\n0.184264 0.866091 0.775791 O\n",
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},
{
"id": "mp-1196458",
"created_at": "2022-09-04T14:41:59.049760Z",
"structure_string": "Eu20 Pt16\n1.0\n7.755582 0.000000 0.000000\n0.000000 7.936549 0.000000\n0.000000 0.000000 15.285404\nEu Pt\n20 16\ndirect\n0.657031 0.166990 0.622337 Eu\n0.157031 0.333010 0.877663 Eu\n0.342969 0.833010 0.122337 Eu\n0.842969 0.666990 0.377663 Eu\n0.342969 0.833010 0.377663 Eu\n0.842969 0.666990 0.122337 Eu\n0.657031 0.166990 0.877663 Eu\n0.157031 0.333010 0.622337 Eu\n0.499353 0.680205 0.593965 Eu\n0.999353 0.819795 0.906035 Eu\n0.500647 0.319795 0.093965 Eu\n0.000647 0.180205 0.406035 Eu\n0.500647 0.319795 0.406035 Eu\n0.000647 0.180205 0.093965 Eu\n0.499353 0.680205 0.906035 Eu\n0.999353 0.819795 0.593965 Eu\n0.817345 0.510776 0.750000 Eu\n0.317345 0.989224 0.750000 Eu\n0.182655 0.489224 0.250000 Eu\n0.682655 0.010776 0.250000 Eu\n0.677433 0.967504 0.459270 Pt\n0.177433 0.532496 0.040730 Pt\n0.322567 0.032496 0.959270 Pt\n0.822567 0.467504 0.540730 Pt\n0.322567 0.032496 0.540730 Pt\n0.822567 0.467504 0.959270 Pt\n0.677433 0.967504 0.040730 Pt\n0.177433 0.532496 0.459270 Pt\n0.450232 0.391371 0.750000 Pt\n0.950232 0.108629 0.750000 Pt\n0.549768 0.608629 0.250000 Pt\n0.049768 0.891371 0.250000 Pt\n0.693221 0.864094 0.750000 Pt\n0.193221 0.635906 0.750000 Pt\n0.306779 0.135906 0.250000 Pt\n0.806779 0.364094 0.250000 Pt\n",
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"spacegroup": 62
},
{
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"updated_at": "2021-11-28T01:35:14.416000Z",
"spacegroup": 128
}
]
}