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{
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{
"id": "mp-753624",
"created_at": "2022-09-04T14:47:02.136382Z",
"structure_string": "Li2 Mn2 P2 O8\n1.0\n5.023402 0.000071 0.000040\n-2.511619 1.449843 7.869811\n-2.511760 -4.350354 0.000106\nLi Mn P O\n2 2 2 8\ndirect\n0.015135 0.022734 0.007584 Li\n0.135827 0.703724 0.567919 Li\n0.884650 0.326954 0.442316 Mn\n0.266433 0.399667 0.133216 Mn\n0.732121 0.598199 0.866051 P\n0.418836 0.128246 0.709423 P\n0.292139 0.938125 0.646085 O\n0.858925 0.788395 0.929470 O\n0.718738 0.527253 0.565833 O\n0.776740 0.199292 0.766991 O\n0.432287 0.199274 0.009758 O\n0.961398 0.527230 0.152881 O\n0.374350 0.527242 0.808499 O\n0.189483 0.199257 0.422505 O\n",
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{
"id": "mp-753625",
"created_at": "2022-09-04T14:43:10.420786Z",
"structure_string": "Li32 Mn4 O20 F4\n1.0\n2.433666 -4.783234 0.128284\n16.193214 7.156543 4.391079\n-2.750284 1.270080 5.185749\nLi Mn O F\n32 4 20 4\ndirect\n0.504993 0.028903 0.332858 Li\n0.754982 0.278918 0.082865 Li\n0.004956 0.528905 0.832840 Li\n0.254933 0.778921 0.582843 Li\n0.361148 0.131829 0.520103 Li\n0.611112 0.381834 0.270070 Li\n0.861151 0.631813 0.020037 Li\n0.111093 0.881832 0.770053 Li\n0.950031 0.059775 0.587376 Li\n0.200049 0.309789 0.337388 Li\n0.450022 0.559773 0.087275 Li\n0.700045 0.809793 0.837345 Li\n0.436612 0.074338 0.937063 Li\n0.686611 0.324348 0.687078 Li\n0.936624 0.574339 0.437089 Li\n0.186593 0.824351 0.187092 Li\n0.828917 0.166251 0.799797 Li\n0.078934 0.416250 0.549811 Li\n0.328896 0.666259 0.299823 Li\n0.578946 0.916246 0.049804 Li\n0.285654 0.191463 0.156298 Li\n0.535675 0.441464 0.906256 Li\n0.785662 0.691467 0.656292 Li\n0.035672 0.941450 0.406281 Li\n0.911164 0.117220 0.251842 Li\n0.161177 0.367220 0.001838 Li\n0.411143 0.617218 0.751832 Li\n0.661211 0.867204 0.501823 Li\n0.742561 0.224782 0.427278 Li\n0.992514 0.474760 0.177215 Li\n0.242484 0.724776 0.927201 Li\n0.492577 0.974768 0.677278 Li\n0.473033 0.505407 0.473413 Mn\n0.723246 0.755302 0.223596 Mn\n0.973327 0.005347 0.973690 Mn\n0.223313 0.255343 0.723707 Mn\n0.647836 0.066644 0.692991 O\n0.897826 0.316639 0.442995 O\n0.147777 0.566658 0.192954 O\n0.397765 0.816634 0.942947 O\n0.202907 0.090468 0.149119 O\n0.452973 0.340491 0.899082 O\n0.702881 0.590480 0.649102 O\n0.952898 0.840449 0.399009 O\n0.795118 0.015896 0.215834 O\n0.045041 0.265932 0.965796 O\n0.295066 0.515915 0.715794 O\n0.545065 0.765858 0.465795 O\n0.442879 0.234229 0.522152 O\n0.692873 0.484245 0.272034 O\n0.942873 0.734201 0.022020 O\n0.192955 0.984217 0.772248 O\n0.044648 0.160272 0.591635 O\n0.294545 0.410265 0.341564 O\n0.544508 0.660208 0.091522 O\n0.794561 0.910252 0.841601 O\n0.622475 0.182614 0.092384 F\n0.872471 0.432623 0.842301 F\n0.122459 0.682608 0.592371 F\n0.372539 0.932548 0.342291 F\n",
"nsites": 60,
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"elements": [
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"density": 2.570050367944831,
"density_atomic": 0.11083570662576576,
"volume": 541.3417916176475,
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"formula_full": "Li32 Mn4 O20 F4",
"formula_reduced": "Li8MnO5F",
"formula_anonymous": "ABC5D8",
"energy": -336.82275453,
"energy_per_atom": -5.6137125755,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:01.398000Z",
"spacegroup": 1
},
{
"id": "mp-753626",
"created_at": "2022-09-04T14:39:09.714300Z",
"structure_string": "Li4 Nd2 P2 C2 O14\n1.0\n6.918648 0.000000 0.000000\n0.000000 4.993015 0.000000\n0.000000 0.510368 9.270096\nLi Nd P C O\n4 2 2 2 14\ndirect\n0.526458 0.792023 0.803469 Li\n0.973542 0.792023 0.803469 Li\n0.473542 0.207977 0.196531 Li\n0.026458 0.207977 0.196531 Li\n0.250000 0.256674 0.624537 Nd\n0.750000 0.743326 0.375463 Nd\n0.750000 0.259343 0.602596 P\n0.250000 0.740657 0.397404 P\n0.250000 0.259325 0.931507 C\n0.750000 0.740675 0.068493 C\n0.750000 0.722748 0.932150 O\n0.250000 0.029876 0.869916 O\n0.250000 0.477066 0.843058 O\n0.931775 0.115835 0.665028 O\n0.568225 0.115835 0.665028 O\n0.250000 0.757047 0.566540 O\n0.750000 0.563541 0.628243 O\n0.250000 0.436459 0.371757 O\n0.750000 0.242953 0.433460 O\n0.431775 0.884165 0.334972 O\n0.068225 0.884165 0.334972 O\n0.750000 0.522934 0.156942 O\n0.750000 0.970124 0.130084 O\n0.250000 0.277252 0.067850 O\n",
"nsites": 24,
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"elements": [
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"Nd",
"P",
"C",
"O"
],
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"density": 3.247130436108286,
"density_atomic": 0.07494504137697863,
"volume": 320.2346620809558,
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"formula_full": "Li4 Nd2 P2 C2 O14",
"formula_reduced": "Li2NdPCO7",
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"energy": -181.61552787,
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"updated_at": "2021-11-28T01:34:33.835000Z",
"spacegroup": 11
},
{
"id": "mp-753627",
"created_at": "2022-09-04T14:48:29.476830Z",
"structure_string": "Li2 Ti2 P4 O14\n1.0\n6.401094 0.000000 0.000000\n1.089859 6.430701 0.000000\n2.691503 0.414247 6.269810\nLi Ti P O\n2 2 4 14\ndirect\n0.691883 0.082258 0.843176 Li\n0.308117 0.917742 0.156824 Li\n0.907032 0.348735 0.219516 Ti\n0.092968 0.651265 0.780484 Ti\n0.218371 0.134651 0.767269 P\n0.351287 0.395873 0.347423 P\n0.648713 0.604127 0.652577 P\n0.781629 0.865349 0.232731 P\n0.933168 0.018846 0.245318 O\n0.389732 0.044065 0.864149 O\n0.364040 0.216804 0.528275 O\n0.208192 0.323902 0.240730 O\n0.062160 0.332466 0.879780 O\n0.601969 0.395863 0.194421 O\n0.753480 0.396185 0.548994 O\n0.246520 0.603815 0.451006 O\n0.398031 0.604137 0.805579 O\n0.937840 0.667534 0.120220 O\n0.791808 0.676098 0.759270 O\n0.635960 0.783196 0.471725 O\n0.610268 0.955935 0.135851 O\n0.066832 0.981154 0.754682 O\n",
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"volume": 258.08745928072386,
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"formula_full": "Li2 Ti2 P4 O14",
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"formula_anonymous": "ABC2D7",
"energy": -172.88667623,
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},
{
"id": "mp-753628",
"created_at": "2022-09-04T14:40:16.770174Z",
"structure_string": "Li2 V2 F12\n1.0\n2.686538 -4.738879 0.000000\n2.686538 4.738879 0.000000\n0.000000 0.000000 8.669945\nLi V F\n2 2 12\ndirect\n0.442023 0.557977 0.025010 Li\n0.557977 0.442023 0.525010 Li\n0.882990 0.117010 0.742648 V\n0.117010 0.882990 0.242648 V\n0.153476 0.330251 0.598233 F\n0.933751 0.066249 0.284655 F\n0.092228 0.386432 0.888261 F\n0.669749 0.846524 0.598233 F\n0.613568 0.907772 0.888261 F\n0.694240 0.305760 0.694698 F\n0.305760 0.694240 0.194698 F\n0.386432 0.092228 0.388261 F\n0.330251 0.153476 0.098233 F\n0.907772 0.613568 0.388261 F\n0.066249 0.933751 0.784655 F\n0.846524 0.669749 0.098233 F\n",
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},
{
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"structure_string": "Zr12 O6\n1.0\n2.841365 -4.921389 0.000000\n2.841365 4.921389 0.000000\n0.000000 0.000000 10.525389\nZr O\n12 6\ndirect\n0.333857 0.325231 0.871199 Zr\n0.333104 0.333545 0.373785 Zr\n0.333104 0.999559 0.626215 Zr\n0.333857 0.008625 0.128801 Zr\n0.666455 0.999559 0.373785 Zr\n0.674769 0.008625 0.871199 Zr\n0.666455 0.666896 0.626215 Zr\n0.674769 0.666143 0.128801 Zr\n0.000441 0.333545 0.626215 Zr\n0.991375 0.325231 0.128801 Zr\n0.991375 0.666143 0.871199 Zr\n0.000441 0.666896 0.373785 Zr\n0.666667 0.333333 0.742801 O\n0.666667 0.333333 0.257199 O\n0.666667 0.333333 0.000000 O\n0.333333 0.666667 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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},
{
"id": "mp-753630",
"created_at": "2022-09-04T14:45:33.584051Z",
"structure_string": "Li9 V6 P12 H6 O48\n1.0\n8.085622 0.000000 0.000000\n-0.018862 9.976857 0.000000\n-0.006408 -0.018269 10.705716\nLi V P H O\n9 6 12 6 48\ndirect\n0.131784 0.232187 0.075687 Li\n0.866726 0.095129 0.253062 Li\n0.362166 0.736611 0.081282 Li\n0.635803 0.602726 0.258279 Li\n0.128035 0.565863 0.414949 Li\n0.363940 0.403907 0.745366 Li\n0.633315 0.267601 0.923771 Li\n0.633146 0.935859 0.584325 Li\n0.128605 0.897957 0.745861 Li\n0.495447 0.162746 0.176300 V\n0.002155 0.001324 0.498432 V\n0.998120 0.671067 0.162574 V\n0.503783 0.497431 0.501073 V\n0.996376 0.339916 0.824003 V\n0.505645 0.827188 0.835376 V\n0.843349 0.367535 0.129023 P\n0.344868 0.464475 0.202376 P\n0.650319 0.199058 0.467815 P\n0.149416 0.300761 0.532393 P\n0.845311 0.034124 0.800235 P\n0.651521 0.865605 0.131457 P\n0.345262 0.131621 0.870556 P\n0.153379 0.969031 0.197828 P\n0.846551 0.700929 0.464603 P\n0.346075 0.798004 0.537505 P\n0.651440 0.532014 0.802134 P\n0.150225 0.636442 0.866067 P\n0.490079 0.502391 0.013297 H\n0.990292 0.330571 0.320580 H\n0.491561 0.169263 0.678352 H\n0.485479 0.837199 0.353719 H\n0.988326 0.662579 0.649884 H\n0.987729 0.996191 0.986296 H\n0.058469 0.048496 0.097294 O\n0.667372 0.018547 0.162364 O\n0.326995 0.034116 0.212993 O\n0.950568 0.352470 0.008177 O\n0.677903 0.292625 0.109870 O\n0.325408 0.314322 0.165217 O\n0.942593 0.288347 0.232118 O\n0.547836 0.188816 0.338486 O\n0.814685 0.129285 0.436901 O\n0.436804 0.545473 0.096538 O\n0.820121 0.514740 0.164721 O\n0.166013 0.150579 0.507611 O\n0.560403 0.122778 0.571662 O\n0.178711 0.533305 0.223788 O\n0.950197 0.019907 0.681423 O\n0.458088 0.477547 0.316870 O\n0.545623 0.857932 0.005886 O\n0.060091 0.376503 0.428592 O\n0.821640 0.805349 0.114696 O\n0.667315 0.348784 0.494041 O\n0.177074 0.819547 0.165103 O\n0.314777 0.370130 0.562716 O\n0.548271 0.787462 0.226969 O\n0.046936 0.311353 0.661967 O\n0.956313 0.688943 0.346606 O\n0.443253 0.211230 0.767214 O\n0.678306 0.634362 0.440710 O\n0.823328 0.185306 0.833325 O\n0.326366 0.649631 0.501031 O\n0.178630 0.204045 0.888594 O\n0.942612 0.620844 0.566450 O\n0.451670 0.147078 0.991326 O\n0.546984 0.515887 0.682617 O\n0.048579 0.981517 0.317808 O\n0.826057 0.470763 0.789429 O\n0.450243 0.877270 0.438507 O\n0.825775 0.850381 0.500977 O\n0.171434 0.482524 0.833713 O\n0.558525 0.454096 0.905235 O\n0.182304 0.868515 0.560217 O\n0.455193 0.810327 0.659381 O\n0.068157 0.712089 0.760074 O\n0.666124 0.685123 0.829428 O\n0.327073 0.699924 0.888123 O\n0.054750 0.641374 0.988826 O\n0.674302 0.966055 0.781005 O\n0.327171 0.982153 0.835611 O\n0.942677 0.955983 0.901626 O\n",
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"formula_full": "Li9 V6 P12 H6 O48",
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},
{
"id": "mp-753631",
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"structure_string": "Li4 Al4 V4 O16\n1.0\n0.000006 -3.408998 4.668514\n2.959769 -5.004729 -0.075621\n5.921529 6.601614 4.820612\nLi Al V O\n4 4 4 16\ndirect\n0.940222 0.119544 0.190234 Li\n0.440302 0.119395 0.690170 Li\n0.060769 0.878454 0.810802 Li\n0.560760 0.878496 0.310872 Li\n0.999990 0.500621 0.999720 Al\n0.500135 0.500362 0.499780 Al\n0.999515 0.500359 0.499784 Al\n0.499380 0.500620 0.999714 Al\n0.751133 0.497729 0.749593 V\n0.499499 0.000964 0.001204 V\n0.251028 0.497953 0.249613 V\n0.999713 0.000612 0.500977 V\n0.351603 0.296806 0.383467 O\n0.851645 0.296708 0.883598 O\n0.865999 0.267993 0.398673 O\n0.365886 0.268227 0.898726 O\n0.133500 0.733001 0.601616 O\n0.633417 0.733177 0.101652 O\n0.648784 0.702439 0.615834 O\n0.148627 0.702734 0.115903 O\n0.097106 0.265625 0.617115 O\n0.596984 0.265885 0.117138 O\n0.637273 0.265659 0.617135 O\n0.137136 0.265853 0.117124 O\n0.360211 0.735205 0.382408 O\n0.860135 0.735187 0.882367 O\n0.904609 0.735185 0.382402 O\n0.404639 0.735208 0.882377 O\n",
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