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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11506",
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"results": [
{
"id": "mp-1174835",
"created_at": "2022-09-04T14:46:26.805414Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n-2.944203 0.000000 0.000000\n1.247516 4.921511 0.000000\n-0.346148 -2.447409 -12.397095\nLi Mn Co O\n6 3 1 10\ndirect\n0.321999 0.611130 0.112918 Li\n0.878027 0.790292 0.286982 Li\n0.510065 0.006951 0.501328 Li\n0.098972 0.203534 0.697775 Li\n0.691930 0.388769 0.900710 Li\n0.600778 0.201369 0.201006 Li\n0.008929 0.001551 0.007326 Mn\n0.192899 0.398985 0.394847 Mn\n0.407962 0.803139 0.797918 Mn\n0.785078 0.594019 0.598842 Co\n0.615268 0.258549 0.043871 O\n0.256200 0.506358 0.264374 O\n0.808435 0.664140 0.452784 O\n0.465838 0.880347 0.649507 O\n0.085179 0.088286 0.854287 O\n0.944514 0.895423 0.137619 O\n0.586507 0.141471 0.358191 O\n0.122188 0.319959 0.546509 O\n0.725395 0.511741 0.744074 O\n0.393837 0.733986 0.949132 O\n",
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"elements": [
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"chemical_system": "Co-Li-Mn-O",
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"density_atomic": 0.11133811272956401,
"volume": 179.63300714984481,
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"formula_full": "Li6 Mn3 Co1 O10",
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"formula_anonymous": "AB3C6D10",
"energy": -132.33061784,
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"updated_at": "2021-11-28T01:37:39.911000Z",
"spacegroup": 1
},
{
"id": "mp-695694",
"created_at": "2022-09-04T14:46:26.663621Z",
"structure_string": "K1 H18 Os1 N6 Cl4 O8\n1.0\n7.292406 0.000000 0.000000\n-3.297416 6.571009 0.000000\n-3.491380 -1.892755 9.414308\nK H Os N Cl O\n1 18 1 6 4 8\ndirect\n0.960587 0.477128 0.448588 K\n0.675076 0.696030 0.768723 H\n0.143334 0.989200 0.785836 H\n0.635597 0.989578 0.808007 H\n0.339847 0.200545 0.914652 H\n0.766459 0.593726 0.908496 H\n0.785021 0.218723 0.926509 H\n0.467771 0.687526 0.106403 H\n0.785383 0.783940 0.152409 H\n0.772182 0.003529 0.151403 H\n0.998945 0.002693 0.255414 H\n0.449172 0.653640 0.031425 H\n0.141977 0.731410 0.831844 H\n0.360405 0.395614 0.114728 H\n0.356857 0.944804 0.120780 H\n0.136369 0.399073 0.117552 H\n0.138205 0.743393 0.132859 H\n0.268104 0.966870 0.242539 H\n0.264878 0.302586 0.234922 H\n0.998783 0.006746 0.986239 Os\n0.781983 0.085287 0.891542 N\n0.791403 0.727141 0.868977 N\n0.187666 0.069780 0.883617 N\n0.873099 0.939757 0.155549 N\n0.214975 0.309564 0.129157 N\n0.213741 0.901154 0.137516 N\n0.369810 0.185804 0.562423 Cl\n0.787781 0.416046 0.113868 Cl\n0.136837 0.560000 0.792785 Cl\n0.620016 0.811584 0.426866 Cl\n0.278403 0.140857 0.404124 O\n0.376463 0.692943 0.376831 O\n0.697669 0.684750 0.373469 O\n0.680255 0.001819 0.366913 O\n0.288657 0.312171 0.609510 O\n0.295307 0.989633 0.612837 O\n0.610945 0.297236 0.614488 O\n0.719641 0.863523 0.580601 O\n",
"nsites": 38,
"nelements": 6,
"elements": [
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"H",
"Os",
"N",
"Cl",
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],
"chemical_system": "Cl-H-K-N-O-Os",
"density": 2.213412943029832,
"density_atomic": 0.08423494414432733,
"volume": 451.1191927057157,
"volume_molar": 7.14921915266154,
"formula_full": "K1 H18 Os1 N6 Cl4 O8",
"formula_reduced": "KH18OsN6(ClO2)4",
"formula_anonymous": "ABC4D6E8F18",
"energy": -192.27540293,
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"updated_at": "2021-11-28T01:37:40.901000Z",
"spacegroup": 1
},
{
"id": "mp-1227970",
"created_at": "2022-09-04T14:46:26.785173Z",
"structure_string": "Ba1 Ga2 Ge1 Se6\n1.0\n6.637803 0.000000 0.000000\n-1.143210 6.581277 0.000000\n-1.235681 -1.427437 6.408588\nBa Ga Ge Se\n1 2 1 6\ndirect\n0.997801 0.997798 0.996538 Ba\n0.816860 0.540261 0.400758 Ga\n0.546887 0.398127 0.820646 Ga\n0.399454 0.820189 0.543599 Ge\n0.259179 0.129925 0.580659 Se\n0.138467 0.587819 0.262971 Se\n0.584299 0.261664 0.134724 Se\n0.734431 0.886515 0.454323 Se\n0.887281 0.453824 0.739640 Se\n0.450970 0.739509 0.881771 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"Se"
],
"chemical_system": "Ba-Ga-Ge-Se",
"density": 4.8825121544706915,
"density_atomic": 0.03571931473310528,
"volume": 279.9605780435599,
"volume_molar": 16.85962008229283,
"formula_full": "Ba1 Ga2 Ge1 Se6",
"formula_reduced": "BaGa2GeSe6",
"formula_anonymous": "ABC2D6",
"energy": -44.69019061,
"energy_per_atom": -4.469019061,
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"band_gap": 1.9186,
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"updated_at": "2021-11-28T01:37:32.874000Z",
"spacegroup": 1
},
{
"id": "mp-1075031",
"created_at": "2022-09-04T14:46:26.679912Z",
"structure_string": "Mg6 Si8\n1.0\n-4.233075 0.000000 0.000000\n2.002513 7.942796 0.000000\n-0.076493 -3.519138 -7.634342\nMg Si\n6 8\ndirect\n0.419856 0.413308 0.919706 Mg\n0.191988 0.967879 0.837750 Mg\n0.004745 0.584126 0.377655 Mg\n0.349552 0.255839 0.232680 Mg\n0.224914 0.014623 0.475137 Mg\n0.078094 0.738212 0.068320 Mg\n0.790072 0.158852 0.728803 Si\n0.576906 0.743392 0.275905 Si\n0.867222 0.298563 0.522509 Si\n0.453422 0.482038 0.580109 Si\n0.618129 0.808813 0.593961 Si\n0.581232 0.744452 0.867434 Si\n0.852866 0.256464 0.036507 Si\n0.744203 0.033331 0.230144 Si\n",
"nsites": 14,
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"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.39691557284238,
"density_atomic": 0.05454149685105981,
"volume": 256.68529116886464,
"volume_molar": 11.04139253171777,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.824683910000005,
"energy_per_atom": -3.6303345650000005,
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"updated_at": "2021-11-28T01:37:39.071000Z",
"spacegroup": 1
},
{
"id": "mp-686354",
"created_at": "2022-09-04T14:46:26.911154Z",
"structure_string": "Cr16 Co8 Se32\n1.0\n4.649117 0.234952 -1.368095\n-0.495397 4.791132 -2.832139\n2.207162 -0.346397 49.338192\nCr Co Se\n16 8 32\ndirect\n0.274799 0.299206 0.942685 Cr\n0.256416 0.290852 0.855218 Cr\n0.671252 0.791078 0.934674 Cr\n0.360423 0.112561 0.723543 Cr\n0.637456 0.761083 0.772892 Cr\n0.345798 0.207164 0.601613 Cr\n0.625386 0.884491 0.651599 Cr\n0.365211 0.130262 0.472494 Cr\n0.629048 0.831805 0.523515 Cr\n0.360503 0.236224 0.352934 Cr\n0.639439 0.875592 0.400921 Cr\n0.242156 0.221373 0.183683 Cr\n0.744407 0.708833 0.269826 Cr\n0.186533 0.260442 0.021233 Cr\n0.687184 0.728522 0.182017 Cr\n0.817885 0.734811 0.102971 Cr\n0.962314 0.970333 0.874367 Co\n0.954808 0.004813 0.749769 Co\n0.032973 0.009410 0.626485 Co\n0.022591 0.008541 0.501409 Co\n0.042392 -0.014529 0.374980 Co\n0.043164 0.035964 0.251387 Co\n0.377054 0.292505 0.106527 Co\n0.693521 0.716595 0.021630 Co\n0.098262 0.770755 0.907134 Se\n0.435202 0.820109 0.978970 Se\n0.157860 0.891411 0.789385 Se\n0.588014 0.267209 0.903062 Se\n0.254305 0.657468 0.842683 Se\n0.158449 0.814587 0.660449 Se\n0.195745 0.883011 0.037741 Se\n0.641482 0.327775 0.779562 Se\n0.292072 0.670792 0.721756 Se\n0.171274 0.841223 0.537601 Se\n0.751098 0.123168 0.838387 Se\n0.690548 0.330022 0.654057 Se\n0.336062 0.673073 0.596338 Se\n0.168913 0.789013 0.408398 Se\n0.830666 0.203508 0.716384 Se\n0.670672 0.317200 0.528076 Se\n0.313198 0.656782 0.469753 Se\n0.252661 0.878686 0.287389 Se\n0.817260 0.144857 0.588353 Se\n0.711053 0.320630 0.403498 Se\n0.353373 0.663777 0.345205 Se\n0.785468 0.085425 0.083606 Se\n0.838897 0.175103 0.464384 Se\n0.750796 0.346752 0.283148 Se\n0.409241 0.735018 0.222470 Se\n0.885367 0.295494 0.973325 Se\n0.840553 0.105341 0.336006 Se\n0.295323 0.586810 0.085055 Se\n0.602740 0.192366 0.148718 Se\n0.896284 0.240139 0.219271 Se\n0.718028 0.406193 0.040392 Se\n0.116423 0.688370 0.151071 Se\n",
"nsites": 56,
"nelements": 3,
"elements": [
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"Co",
"Se"
],
"chemical_system": "Co-Cr-Se",
"density": 5.714703212732512,
"density_atomic": 0.05031759451289225,
"volume": 1112.930785784122,
"volume_molar": 11.968260443088196,
"formula_full": "Cr16 Co8 Se32",
"formula_reduced": "Cr2CoSe4",
"formula_anonymous": "AB2C4",
"energy": -346.0527258,
"energy_per_atom": -6.179512960714286,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:37.963000Z",
"spacegroup": 1
},
{
"id": "mp-775438",
"created_at": "2022-09-04T14:46:27.014184Z",
"structure_string": "V8 O4 F20\n1.0\n5.307006 0.000000 0.000000\n-2.649508 -4.747048 0.000000\n-2.575645 0.900884 -17.246398\nV O F\n8 4 20\ndirect\n0.246818 0.627131 0.875366 V\n0.233656 0.091286 0.378895 V\n0.500203 0.274734 0.745430 V\n0.506667 0.731921 0.244393 V\n0.744737 0.868038 0.626498 V\n0.748743 0.386458 0.125390 V\n0.999821 0.032739 0.995111 V\n0.998826 0.499054 0.498451 V\n0.047498 0.310238 0.941051 O\n0.058393 0.815679 0.432547 O\n0.548997 0.549432 0.691063 O\n0.582398 0.586949 0.173042 O\n0.071405 0.836655 0.914047 F\n0.462085 0.949633 0.810397 F\n0.076094 0.046039 0.712492 F\n0.071628 0.319795 0.414265 F\n0.080650 0.539445 0.210892 F\n0.577580 0.799529 0.961953 F\n0.427026 0.419727 0.836928 F\n0.425886 0.915874 0.330281 F\n0.423863 0.700489 0.539315 F\n0.459473 0.434040 0.317630 F\n0.565565 0.075898 0.664085 F\n0.575436 0.284930 0.460889 F\n0.419151 0.208177 0.039730 F\n0.930215 0.669134 0.585654 F\n0.920968 0.451445 0.789349 F\n0.922768 0.966749 0.288988 F\n0.528408 0.058607 0.186541 F\n0.960954 0.699692 0.059799 F\n0.964177 0.185428 0.563319 F\n0.919913 0.165055 0.086207 F\n",
"nsites": 32,
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"F"
],
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"density": 3.25432522362128,
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"volume": 434.4818169762578,
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"formula_full": "V8 O4 F20",
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"updated_at": "2021-11-28T01:37:38.818000Z",
"spacegroup": 1
},
{
"id": "mp-1177243",
"created_at": "2022-09-04T14:46:26.757260Z",
"structure_string": "Li4 Ti1 Fe3 O8\n1.0\n5.090791 0.000000 0.000000\n-0.006892 5.661187 0.000000\n-0.011392 -0.063177 6.540226\nLi Ti Fe O\n4 1 3 8\ndirect\n0.990313 0.919491 0.381178 Li\n0.500984 0.580426 0.871621 Li\n0.990453 0.421609 0.123586 Li\n0.501019 0.088168 0.625163 Li\n0.501556 0.082396 0.125609 Ti\n0.984983 0.908243 0.864689 Fe\n0.499521 0.582912 0.375232 Fe\n0.993140 0.415052 0.627240 Fe\n0.395602 0.932317 0.892334 O\n0.393497 0.909332 0.354882 O\n0.888704 0.570157 0.870393 O\n0.873318 0.579499 0.384709 O\n0.375392 0.429674 0.612330 O\n0.392777 0.399758 0.137425 O\n0.887988 0.098160 0.623660 O\n0.857153 0.082806 0.129948 O\n",
"nsites": 16,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 3.2698372987145032,
"density_atomic": 0.0848856851716692,
"volume": 188.4887889829985,
"volume_molar": 7.094412618359715,
"formula_full": "Li4 Ti1 Fe3 O8",
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"energy": -116.26805054,
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{
"id": "mp-1360989",
"created_at": "2022-09-04T14:46:26.946698Z",
"structure_string": "Al8 Fe6 O24\n1.0\n5.779471 0.001194 0.009214\n2.890785 5.011741 0.005631\n8.692661 5.016762 14.240912\nAl Fe O\n8 6 24\ndirect\n0.498689 0.489407 0.334642 Al\n0.498825 0.999597 0.168591 Al\n0.999505 0.496589 0.168836 Al\n0.501434 0.495952 0.501617 Al\n0.504605 0.502866 0.829297 Al\n0.995637 0.494534 0.501789 Al\n0.503428 0.007047 0.829229 Al\n0.009791 0.502411 0.828399 Al\n0.126645 0.125055 0.038272 Fe\n0.118727 0.127110 0.376076 Fe\n0.123061 0.121304 0.711955 Fe\n0.878062 0.873577 0.295619 Fe\n0.879618 0.884585 0.618415 Fe\n0.508018 0.506390 0.995597 Fe\n0.254459 0.253882 0.090253 O\n0.243864 0.242746 0.241891 O\n0.232008 0.726654 0.080977 O\n0.727777 0.232097 0.080785 O\n0.278230 0.759007 0.253362 O\n0.239836 0.293760 0.412604 O\n0.757198 0.272983 0.254612 O\n0.236403 0.292306 0.577072 O\n0.263839 0.713357 0.419784 O\n0.739730 0.738719 0.103653 O\n0.720536 0.295782 0.414069 O\n0.741956 0.743403 0.248164 O\n0.254479 0.726478 0.577051 O\n0.239623 0.236011 0.767192 O\n0.754845 0.276085 0.570376 O\n0.748706 0.718109 0.428129 O\n0.264127 0.263587 0.903898 O\n0.241260 0.723739 0.766146 O\n0.725293 0.236656 0.767498 O\n0.786539 0.726932 0.577024 O\n0.309301 0.732654 0.908338 O\n0.734919 0.308721 0.907845 O\n0.745722 0.747420 0.755589 O\n0.737229 0.734958 0.908431 O\n",
"nsites": 38,
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"elements": [
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"density": 3.767985672687275,
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"volume": 412.01088355745344,
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"formula_full": "Al8 Fe6 O24",
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"formula_anonymous": "A3B4C12",
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},
{
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"formula_full": "Li14 Co2 O6 F6",
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},
{
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"structure_string": "Li5 Co5 O9 F1\n1.0\n5.013700 0.000000 0.000000\n0.956371 5.033763 0.000000\n2.369643 2.075606 7.153447\nLi Co O F\n5 5 9 1\ndirect\n0.693019 0.495765 0.094454 Li\n0.110400 0.498420 0.304137 Li\n0.487570 0.497345 0.508352 Li\n0.903848 0.502599 0.694459 Li\n0.301790 0.509255 0.895929 Li\n0.383035 0.002687 0.199591 Co\n0.817676 0.015297 0.403219 Co\n0.206329 0.007315 0.599889 Co\n0.600569 0.004260 0.800808 Co\n0.008229 0.009942 0.987404 Co\n0.026162 0.225363 0.144728 O\n0.325509 0.762385 0.049357 O\n0.459066 0.214261 0.360822 O\n0.874745 0.239571 0.551164 O\n0.134972 0.763377 0.452801 O\n0.269941 0.238472 0.750017 O\n0.544163 0.788874 0.652976 O\n0.661117 0.215431 0.950141 O\n0.949371 0.789436 0.841621 O\n0.742487 0.719945 0.258133 F\n",
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"updated_at": "2021-11-28T01:37:43.229000Z",
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{
"id": "mp-1223507",
"created_at": "2022-09-04T14:46:26.901800Z",
"structure_string": "Li10 Cr2 Fe8 P20 O70\n1.0\n-4.616395 0.000789 1.604913\n-0.006356 0.002189 -7.014903\n0.011529 -41.041399 0.012823\nLi Cr Fe P O\n10 2 8 20 70\ndirect\n0.813235 0.815347 0.023116 Li\n0.813258 0.815954 0.223182 Li\n0.813256 0.815961 0.423183 Li\n0.813498 0.816017 0.623187 Li\n0.813458 0.815356 0.823121 Li\n0.186710 0.183981 0.123169 Li\n0.186684 0.183974 0.323183 Li\n0.186706 0.184005 0.523189 Li\n0.187870 0.185134 0.723184 Li\n0.187910 0.185105 0.923171 Li\n0.784486 0.771957 0.749758 Cr\n0.784520 0.771917 0.949745 Cr\n0.217584 0.232654 0.049695 Fe\n0.217697 0.232357 0.249761 Fe\n0.217666 0.232363 0.449759 Fe\n0.217799 0.233058 0.649901 Fe\n0.217624 0.233377 0.849844 Fe\n0.782428 0.767685 0.149762 Fe\n0.782378 0.767638 0.349759 Fe\n0.782389 0.767671 0.549775 Fe\n0.602804 0.980975 0.086154 P\n0.602688 0.980937 0.286167 P\n0.602682 0.980922 0.486174 P\n0.602122 0.979747 0.686145 P\n0.602219 0.979812 0.886122 P\n0.397300 0.019016 0.186164 P\n0.397293 0.019009 0.386167 P\n0.397219 0.019069 0.586196 P\n0.396924 0.018269 0.786141 P\n0.397013 0.018214 0.986104 P\n0.788684 0.414741 0.006175 P\n0.789550 0.414752 0.206440 P\n0.789535 0.414737 0.406443 P\n0.789470 0.414697 0.606451 P\n0.788589 0.414677 0.806189 P\n0.210499 0.585395 0.106434 P\n0.210418 0.585313 0.306431 P\n0.210443 0.585336 0.506437 P\n0.210841 0.586142 0.706798 P\n0.210896 0.586175 0.906790 P\n0.813013 0.018793 0.057322 O\n0.812788 0.018856 0.257355 O\n0.812801 0.018859 0.457354 O\n0.813387 0.018959 0.657427 O\n0.813561 0.018867 0.857395 O\n0.187024 0.980996 0.157344 O\n0.187033 0.980980 0.357346 O\n0.186993 0.980989 0.557370 O\n0.185737 0.980458 0.757353 O\n0.185761 0.980452 0.957332 O\n0.131948 0.383831 0.088194 O\n0.131808 0.383813 0.288214 O\n0.131818 0.383801 0.488215 O\n0.131453 0.384359 0.688481 O\n0.131557 0.384378 0.888461 O\n0.868081 0.616094 0.188233 O\n0.868081 0.616093 0.388233 O\n0.868066 0.616055 0.588246 O\n0.867674 0.615631 0.787965 O\n0.867698 0.615657 0.987954 O\n0.244460 0.006517 0.019077 O\n0.243385 0.007490 0.219067 O\n0.243372 0.007491 0.419067 O\n0.243502 0.007781 0.619109 O\n0.244552 0.006769 0.819115 O\n0.756696 0.992618 0.119055 O\n0.756662 0.992555 0.319077 O\n0.756673 0.992557 0.519078 O\n0.755978 0.990938 0.719128 O\n0.755994 0.990968 0.919108 O\n0.054520 0.357925 0.014738 O\n0.055539 0.358010 0.214805 O\n0.055534 0.358010 0.414806 O\n0.055425 0.357963 0.614848 O\n0.054381 0.357896 0.814779 O\n0.944412 0.641895 0.114786 O\n0.944392 0.641944 0.314789 O\n0.944398 0.641945 0.514795 O\n0.943839 0.642518 0.714836 O\n0.943856 0.642452 0.914829 O\n0.603263 0.419482 0.036153 O\n0.603745 0.419653 0.236333 O\n0.603751 0.419652 0.436333 O\n0.603568 0.419593 0.636342 O\n0.603048 0.419421 0.836162 O\n0.396331 0.580414 0.136322 O\n0.396319 0.580429 0.336327 O\n0.396353 0.580435 0.536330 O\n0.397819 0.580887 0.736565 O\n0.397790 0.580849 0.936557 O\n0.402473 0.748609 0.080413 O\n0.402394 0.748566 0.280418 O\n0.402396 0.748572 0.480420 O\n0.402246 0.748037 0.680427 O\n0.402307 0.748055 0.880422 O\n0.597393 0.251302 0.180416 O\n0.597398 0.251297 0.380417 O\n0.597476 0.251317 0.580418 O\n0.596361 0.250299 0.780265 O\n0.596296 0.250279 0.980263 O\n0.404314 0.110657 0.086030 O\n0.404210 0.110564 0.286077 O\n0.404216 0.110576 0.486077 O\n0.405371 0.110696 0.686186 O\n0.405459 0.110762 0.886143 O\n0.595795 0.889441 0.186084 O\n0.595802 0.889430 0.386086 O\n0.595732 0.889459 0.586104 O\n0.596056 0.888841 0.785939 O\n0.596120 0.888816 0.985921 O\n",
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"formula_full": "Li10 Cr2 Fe8 P20 O70",
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},
{
"id": "mp-779072",
"created_at": "2022-09-04T14:46:27.069887Z",
"structure_string": "Li4 Mn1 Fe3 B4 O12\n1.0\n-5.232261 0.000000 0.000000\n2.556987 5.612601 0.000000\n-0.203816 -2.710798 -8.585862\nLi Mn Fe B O\n4 1 3 4 12\ndirect\n0.183503 0.672767 0.118301 Li\n0.683833 0.673660 0.616133 Li\n0.315941 0.329829 0.381721 Li\n0.815610 0.327226 0.882656 Li\n0.282589 0.229341 0.696689 Mn\n0.777289 0.232141 0.199911 Fe\n0.722116 0.767597 0.300091 Fe\n0.220676 0.764431 0.802025 Fe\n0.300535 0.257619 0.036158 B\n0.198479 0.738895 0.464887 B\n0.801331 0.261912 0.534207 B\n0.700032 0.742034 0.965574 B\n0.058382 0.295015 0.031985 O\n0.452994 0.316805 0.178396 O\n0.594547 0.824085 0.104757 O\n0.047129 0.684040 0.323184 O\n0.442433 0.705383 0.468529 O\n0.092605 0.819960 0.603581 O\n0.907078 0.175269 0.395946 O\n0.558411 0.297639 0.526260 O\n0.947715 0.320581 0.677120 O\n0.404736 0.172040 0.898558 O\n0.550033 0.686796 0.823727 O\n0.942007 0.704940 0.969605 O\n",
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}
]
}