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{
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"results": [
{
"id": "mp-1182417",
"created_at": "2022-09-04T14:43:42.708787Z",
"structure_string": "Fe4 P4 H20 C4 O32\n1.0\n9.863841 0.000000 0.000000\n0.000000 7.767973 0.000000\n0.000000 0.132592 10.811657\nFe P H C O\n4 4 20 4 32\ndirect\n0.158446 0.499902 0.129923 Fe\n0.658446 0.500098 0.370077 Fe\n0.341554 0.499902 0.629923 Fe\n0.841554 0.500098 0.870077 Fe\n0.166705 0.450206 0.845658 P\n0.833295 0.549794 0.154342 P\n0.333295 0.450206 0.345658 P\n0.666705 0.549794 0.654342 P\n0.664791 0.006616 0.320726 H\n0.919456 0.388703 0.317582 H\n0.164791 0.993384 0.179274 H\n0.848519 0.727890 0.557370 H\n0.843513 0.275910 0.088245 H\n0.651481 0.727890 0.057370 H\n0.474767 0.834303 0.890866 H\n0.080544 0.611297 0.682418 H\n0.343513 0.724090 0.411755 H\n0.025233 0.834303 0.390866 H\n0.419456 0.611297 0.182418 H\n0.525233 0.165697 0.109134 H\n0.156487 0.724090 0.911755 H\n0.151481 0.272110 0.442630 H\n0.835209 0.006616 0.820726 H\n0.580544 0.388703 0.817582 H\n0.348519 0.272110 0.942630 H\n0.656487 0.275910 0.588245 H\n0.335209 0.993384 0.679274 H\n0.974767 0.165697 0.609134 H\n0.980603 0.977681 0.933161 C\n0.019397 0.022319 0.066839 C\n0.519397 0.977681 0.433161 C\n0.480603 0.022319 0.566839 C\n0.308195 0.267490 0.027446 O\n0.861678 0.046712 0.903102 O\n0.688271 0.390350 0.556212 O\n0.833622 0.690374 0.012131 O\n0.981616 0.605229 0.172324 O\n0.518384 0.605229 0.672324 O\n0.203145 0.361579 0.298000 O\n0.333622 0.309626 0.487869 O\n0.666378 0.690374 0.512131 O\n0.166378 0.309626 0.987869 O\n0.703145 0.638421 0.202000 O\n0.051781 0.892009 0.864207 O\n0.811729 0.390350 0.056212 O\n0.829744 0.403374 0.281390 O\n0.670256 0.403374 0.781390 O\n0.329744 0.596626 0.218610 O\n0.170256 0.596626 0.718610 O\n0.448219 0.892009 0.364207 O\n0.691805 0.732510 0.972554 O\n0.138322 0.953288 0.096898 O\n0.551781 0.107991 0.635793 O\n0.796855 0.638421 0.702000 O\n0.311729 0.609650 0.443788 O\n0.638322 0.046712 0.403102 O\n0.296855 0.361579 0.798000 O\n0.361678 0.953288 0.596898 O\n0.808195 0.732510 0.472554 O\n0.188271 0.609650 0.943788 O\n0.481616 0.394771 0.327676 O\n0.948219 0.107991 0.135793 O\n0.018384 0.394771 0.827676 O\n0.191805 0.267490 0.527446 O\n",
"nsites": 64,
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"elements": [
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"P",
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],
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"density": 1.8590756433090208,
"density_atomic": 0.07725630702221288,
"volume": 828.4113293377925,
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"formula_full": "Fe4 P4 H20 C4 O32",
"formula_reduced": "FePH5CO8",
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"energy": -398.16571542,
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"updated_at": "2021-11-28T01:36:17.295000Z",
"spacegroup": 14
},
{
"id": "mp-1187279",
"created_at": "2022-09-04T14:43:42.968962Z",
"structure_string": "Tb3 Hg1\n1.0\n4.822497 0.000000 0.000000\n0.000000 4.822497 0.000000\n0.000000 0.000000 4.822497\nTb Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Hg\n",
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],
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"density": 10.02897675631671,
"density_atomic": 0.03566515311842333,
"volume": 112.15429208219898,
"volume_molar": 16.885223343928892,
"formula_full": "Tb3 Hg1",
"formula_reduced": "Tb3Hg",
"formula_anonymous": "AB3",
"energy": -14.82755532,
"energy_per_atom": -3.70688883,
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"updated_at": "2021-11-28T01:36:14.992000Z",
"spacegroup": 221
},
{
"id": "mp-531911",
"created_at": "2022-09-04T14:43:43.041989Z",
"structure_string": "La14 Mn15 O48\n1.0\n5.474941 0.000000 0.000000\n-0.136361 9.578409 0.000000\n-2.605739 -1.423165 18.076151\nLa Mn O\n14 15 48\ndirect\n0.531856 0.856674 0.059757 La\n0.030758 0.329534 0.060477 La\n0.663876 0.213722 0.313796 La\n0.596080 0.541725 0.193738 La\n0.281565 0.103856 0.567602 La\n0.094871 0.021142 0.182625 La\n0.224023 0.412989 0.438107 La\n0.905129 0.978858 0.817375 La\n0.775977 0.587011 0.561893 La\n0.718435 0.896144 0.432398 La\n0.403920 0.458275 0.806262 La\n0.336124 0.786278 0.686204 La\n0.969242 0.670466 0.939523 La\n0.468144 0.143326 0.940243 La\n0.500000 0.500000 0.000000 Mn\n0.124528 0.378217 0.250690 Mn\n0.066511 0.683744 0.125852 Mn\n0.749225 0.249584 0.501340 Mn\n0.626909 0.870295 0.251787 Mn\n0.690046 0.565310 0.373529 Mn\n0.564530 0.188612 0.127438 Mn\n0.373091 0.129705 0.748213 Mn\n0.250775 0.750416 0.498660 Mn\n0.187961 0.058495 0.374051 Mn\n0.875472 0.621783 0.749310 Mn\n0.812039 0.941505 0.625949 Mn\n0.309954 0.434690 0.626471 Mn\n0.435470 0.811388 0.872562 Mn\n0.933489 0.316256 0.874148 Mn\n0.327354 0.582239 0.077701 O\n0.332694 0.807934 0.178644 O\n0.103397 0.540047 0.196681 O\n0.030794 0.812858 0.054350 O\n0.805865 0.099551 0.081067 O\n0.933879 0.443908 0.325305 O\n0.814494 0.557703 0.060814 O\n0.805234 0.316143 0.190425 O\n0.810377 0.787134 0.170803 O\n0.731357 0.420513 0.448186 O\n0.601369 0.053647 0.200292 O\n0.520458 0.320534 0.046688 O\n0.447602 0.975351 0.326130 O\n0.543027 0.345005 0.565219 O\n0.434503 0.434924 0.310729 O\n0.321408 0.075898 0.068886 O\n0.440520 0.186204 0.435440 O\n0.300314 0.285260 0.173529 O\n0.347018 0.298103 0.697393 O\n0.232645 0.932605 0.454499 O\n0.149594 0.195698 0.295301 O\n0.060580 0.839882 0.575241 O\n0.916906 0.959002 0.313720 O\n0.060822 0.323278 0.554401 O\n0.083094 0.040998 0.686280 O\n0.939178 0.676722 0.445599 O\n0.939420 0.160118 0.424759 O\n0.850406 0.804302 0.704699 O\n0.767355 0.067395 0.545501 O\n0.652982 0.701897 0.302607 O\n0.699686 0.714740 0.826471 O\n0.559480 0.813796 0.564560 O\n0.678592 0.924102 0.931114 O\n0.565497 0.565076 0.689271 O\n0.552398 0.024649 0.673870 O\n0.456973 0.654995 0.434781 O\n0.479542 0.679466 0.953312 O\n0.398631 0.946353 0.799708 O\n0.268643 0.579487 0.551814 O\n0.189623 0.212866 0.829197 O\n0.194766 0.683857 0.809575 O\n0.185506 0.442297 0.939186 O\n0.194135 0.900449 0.918933 O\n0.066121 0.556092 0.674695 O\n0.969206 0.187142 0.945650 O\n0.896603 0.459953 0.803319 O\n0.667306 0.192066 0.821356 O\n0.672646 0.417761 0.922299 O\n",
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"elements": [
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"chemical_system": "La-Mn-O",
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"volume": 947.9354863398025,
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"formula_full": "La14 Mn15 O48",
"formula_reduced": "La14Mn15O48",
"formula_anonymous": "A14B15C48",
"energy": -662.54148734,
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"spacegroup": 2
},
{
"id": "mp-760974",
"created_at": "2022-09-04T14:43:43.092679Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n-9.728348 0.000000 0.000000\n4.816070 8.466182 0.000000\n-0.074325 -0.149846 -14.246773\nLi V P O\n6 6 16 58\ndirect\n0.657320 0.334087 0.098804 Li\n0.094016 0.329974 0.562680 Li\n0.904061 0.670945 0.446730 Li\n0.679137 0.906968 0.052516 Li\n0.057518 0.013600 0.990359 Li\n0.995199 0.996611 0.515325 Li\n0.998413 0.436551 0.758030 V\n0.004021 0.569361 0.243354 V\n0.430234 0.430960 0.251171 V\n0.560709 0.563517 0.750736 V\n0.434359 0.997341 0.744008 V\n0.565053 0.000790 0.258913 V\n0.308156 0.084945 0.158365 P\n0.303501 0.219871 0.660029 P\n0.784838 0.085696 0.660014 P\n0.661200 0.330367 0.866105 P\n0.671307 0.341856 0.367835 P\n0.908760 0.216793 0.160813 P\n0.084015 0.314265 0.342247 P\n0.774510 0.688484 0.156458 P\n0.222914 0.305465 0.845210 P\n0.909898 0.685125 0.659490 P\n0.088251 0.786909 0.839552 P\n0.328343 0.660087 0.631909 P\n0.341072 0.670238 0.131590 P\n0.217440 0.917491 0.342497 P\n0.693816 0.774098 0.341773 P\n0.687154 0.913400 0.840958 P\n0.198335 0.991036 0.428840 O\n0.347532 0.086913 0.663535 O\n0.199485 0.212717 0.930341 O\n0.348180 0.262033 0.168052 O\n0.471197 0.092970 0.172665 O\n0.521322 0.182458 0.820072 O\n0.620349 0.075413 0.667503 O\n0.762568 0.982915 0.932629 O\n0.732752 0.078528 0.164742 O\n0.523154 0.336592 0.320717 O\n0.457595 0.380621 0.670137 O\n0.668932 0.189473 0.323608 O\n0.662234 0.328345 0.970612 O\n0.674793 0.347584 0.471620 O\n0.815654 0.334917 0.826158 O\n0.624521 0.523632 0.167685 O\n0.661413 0.476685 0.824049 O\n0.917086 0.263159 0.667033 O\n0.983034 0.196620 0.258455 O\n0.020031 0.244964 0.435272 O\n0.993194 0.204560 0.078137 O\n0.899950 0.374104 0.171726 O\n0.819057 0.489506 0.324538 O\n0.090344 0.351292 0.831802 O\n0.915648 0.531329 0.675146 O\n0.735906 0.647440 0.670960 O\n0.202624 0.196983 0.754431 O\n0.198453 0.202762 0.579384 O\n0.792211 0.789309 0.424835 O\n0.255916 0.343295 0.328463 O\n0.086266 0.471014 0.320748 O\n0.916685 0.655286 0.162706 O\n0.179781 0.512585 0.673780 O\n0.081632 0.622776 0.829725 O\n0.011725 0.809400 0.923343 O\n0.976592 0.764848 0.568296 O\n0.005710 0.802461 0.744470 O\n0.082409 0.740742 0.332672 O\n0.345555 0.527763 0.179138 O\n0.382536 0.460192 0.832363 O\n0.185793 0.661933 0.174367 O\n0.346872 0.671542 0.028069 O\n0.328832 0.653404 0.527857 O\n0.331237 0.811398 0.674322 O\n0.538352 0.616244 0.328359 O\n0.473756 0.660234 0.680554 O\n0.263788 0.916941 0.828326 O\n0.201461 0.000465 0.249595 O\n0.217566 0.008717 0.072908 O\n0.379875 0.920722 0.328134 O\n0.483089 0.820705 0.177077 O\n0.530435 0.913596 0.822599 O\n0.652942 0.740036 0.829725 O\n0.781018 0.783637 0.074539 O\n0.797036 0.793473 0.249361 O\n0.654889 0.911880 0.334265 O\n0.814345 0.009525 0.577661 O\n0.804235 0.009004 0.756487 O\n",
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"formula_full": "Li6 V6 P16 O58",
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},
{
"id": "mp-1342",
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"structure_string": "Ba1 O1\n1.0\n0.000000 2.807442 2.807442\n2.807442 0.000000 2.807442\n2.807442 2.807442 0.000000\nBa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-16496",
"created_at": "2022-09-04T14:43:43.359877Z",
"structure_string": "Al2 Cu4 Re4\n1.0\n5.911619 0.000000 0.000000\n0.000000 5.911619 0.000000\n0.000000 0.000000 3.911970\nAl Cu Re\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.863932 0.363932 0.000000 Cu\n0.363932 0.136068 0.000000 Cu\n0.636068 0.863932 0.000000 Cu\n0.136068 0.636068 0.000000 Cu\n0.663600 0.163600 0.500000 Re\n0.163600 0.336400 0.500000 Re\n0.836400 0.663600 0.500000 Re\n0.336400 0.836400 0.500000 Re\n",
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{
"id": "mp-571626",
"created_at": "2022-09-04T14:43:43.372169Z",
"structure_string": "Mg6 Ga14 Co4\n1.0\n4.717533 4.540286 0.000000\n-4.717533 4.540286 0.000000\n0.000000 0.575008 9.414228\nMg Ga Co\n6 14 4\ndirect\n0.639689 0.744881 0.697612 Mg\n0.147825 0.852175 0.750000 Mg\n0.255119 0.360311 0.802388 Mg\n0.852175 0.147825 0.250000 Mg\n0.744881 0.639689 0.197612 Mg\n0.360311 0.255119 0.302388 Mg\n0.771662 0.228338 0.750000 Ga\n0.693165 0.436580 0.481487 Ga\n0.891029 0.555137 0.897129 Ga\n0.555137 0.891029 0.397129 Ga\n0.436580 0.693165 0.981487 Ga\n0.809498 0.945552 0.974065 Ga\n0.054448 0.190502 0.525935 Ga\n0.444863 0.108971 0.602871 Ga\n0.108971 0.444863 0.102871 Ga\n0.945552 0.809498 0.474065 Ga\n0.190502 0.054448 0.025935 Ga\n0.306835 0.563420 0.518513 Ga\n0.563420 0.306835 0.018513 Ga\n0.228338 0.771662 0.250000 Ga\n0.031251 0.484089 0.355031 Co\n0.515911 0.968749 0.144969 Co\n0.968749 0.515911 0.644969 Co\n0.484089 0.031251 0.855031 Co\n",
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{
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{
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