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{
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"results": [
{
"id": "mp-762595",
"created_at": "2022-09-04T14:46:29.702521Z",
"structure_string": "Li8 Fe12 Co4 O32\n1.0\n8.251316 0.004320 0.001276\n0.004331 8.346872 -0.000693\n0.001299 -0.000824 8.275530\nLi Fe Co O\n8 12 4 32\ndirect\n0.122141 0.877983 0.376774 Li\n0.250777 0.752149 0.748045 Li\n0.248966 0.248602 0.247120 Li\n0.377440 0.122276 0.878459 Li\n0.622913 0.622808 0.622700 Li\n0.752073 0.748877 0.252319 Li\n0.748564 0.251244 0.751338 Li\n0.877082 0.376639 0.122783 Li\n0.122306 0.622055 0.121886 Fe\n0.121534 0.378315 0.878666 Fe\n0.123968 0.120933 0.623931 Fe\n0.377275 0.877515 0.122624 Fe\n0.375922 0.624474 0.378612 Fe\n0.379224 0.376065 0.624704 Fe\n0.624048 0.877655 0.877319 Fe\n0.623539 0.122783 0.123560 Fe\n0.623540 0.375479 0.375459 Fe\n0.877105 0.623732 0.876656 Fe\n0.875910 0.877292 0.623326 Fe\n0.876291 0.122955 0.376689 Fe\n0.998500 0.499696 0.498439 Co\n0.500770 0.499208 0.000620 Co\n0.499869 0.999955 0.500724 Co\n0.000519 0.000260 0.001200 Co\n0.101753 0.126436 0.388268 O\n0.104900 0.891708 0.627595 O\n0.113944 0.610988 0.887327 O\n0.127136 0.395781 0.104964 O\n0.121299 0.147382 0.863776 O\n0.133960 0.364220 0.639707 O\n0.135617 0.622718 0.354210 O\n0.144401 0.858166 0.122146 O\n0.360392 0.139496 0.623928 O\n0.357231 0.377018 0.862687 O\n0.361432 0.638268 0.136493 O\n0.378922 0.860236 0.356875 O\n0.372008 0.611249 0.604417 O\n0.388653 0.382641 0.380972 O\n0.395147 0.102900 0.127538 O\n0.395628 0.873438 0.894931 O\n0.610309 0.373953 0.604502 O\n0.610896 0.600317 0.372415 O\n0.614301 0.889009 0.112353 O\n0.627956 0.103542 0.895443 O\n0.622200 0.354170 0.141064 O\n0.638308 0.138325 0.362723 O\n0.641345 0.877327 0.644346 O\n0.643805 0.642627 0.878760 O\n0.856726 0.358745 0.376164 O\n0.858753 0.123698 0.142879 O\n0.862963 0.860452 0.863258 O\n0.878089 0.645791 0.641956 O\n0.871710 0.895936 0.395798 O\n0.880163 0.111461 0.610457 O\n0.894012 0.397210 0.872822 O\n0.895768 0.625916 0.105350 O\n",
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"formula_full": "Li8 Fe12 Co4 O32",
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"energy": -390.32342952,
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"updated_at": "2021-11-28T01:37:39.497000Z",
"spacegroup": 4
},
{
"id": "mp-754412",
"created_at": "2022-09-04T14:46:29.758260Z",
"structure_string": "Fe6 O10 F2\n1.0\n4.638955 0.000000 0.000000\n0.000000 5.535281 0.000000\n0.000000 0.604161 7.568887\nFe O F\n6 10 2\ndirect\n0.479655 0.575326 0.163312 Fe\n0.509770 0.908094 0.836707 Fe\n0.513027 0.247503 0.489654 Fe\n0.009770 0.091906 0.163293 Fe\n0.013027 0.752497 0.510346 Fe\n0.979655 0.424674 0.836688 Fe\n0.191594 0.044584 0.396894 O\n0.190740 0.380557 0.051222 O\n0.196330 0.708855 0.740484 O\n0.308393 0.878669 0.068961 O\n0.308102 0.544085 0.392860 O\n0.696330 0.291145 0.259516 O\n0.691594 0.955416 0.603106 O\n0.690740 0.619443 0.948778 O\n0.808102 0.455915 0.607140 O\n0.808393 0.121331 0.931039 O\n0.302390 0.214749 0.729504 F\n0.802390 0.785251 0.270496 F\n",
"nsites": 18,
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"elements": [
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"volume": 194.35327087378576,
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"formula_full": "Fe6 O10 F2",
"formula_reduced": "Fe3O5F",
"formula_anonymous": "AB3C5",
"energy": -131.40638452000002,
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"updated_at": "2021-11-28T01:37:43.015000Z",
"spacegroup": 4
},
{
"id": "mp-1192126",
"created_at": "2022-09-04T14:46:29.757471Z",
"structure_string": "Zn4 Te2 Mo2 O14\n1.0\n8.576179 0.000000 0.000000\n0.000000 5.248012 0.000000\n0.000000 1.217809 7.256178\nZn Te Mo O\n4 2 2 14\ndirect\n0.461485 0.947228 0.512414 Zn\n0.961485 0.052772 0.487586 Zn\n0.639808 0.522994 0.238881 Zn\n0.139808 0.477006 0.761119 Zn\n0.751249 0.514943 0.644660 Te\n0.251249 0.485057 0.355340 Te\n0.469111 0.078021 0.984344 Mo\n0.969111 0.921979 0.015656 Mo\n0.942054 0.706084 0.633172 O\n0.442054 0.293916 0.366828 O\n0.650574 0.752452 0.453802 O\n0.150574 0.247548 0.546198 O\n0.445170 0.789256 0.157746 O\n0.945170 0.210744 0.842254 O\n0.791487 0.311915 0.456056 O\n0.291487 0.688085 0.543944 O\n0.620907 0.278674 0.051054 O\n0.120907 0.721326 0.948946 O\n0.291465 0.257797 0.948376 O\n0.791465 0.742203 0.051624 O\n0.527051 0.994315 0.766356 O\n0.027051 0.005685 0.233644 O\n",
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"formula_full": "Zn4 Te2 Mo2 O14",
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{
"id": "mp-771324",
"created_at": "2022-09-04T14:46:29.883840Z",
"structure_string": "Na6 Ca2 P2 C2 O14\n1.0\n6.886549 0.000000 0.000000\n0.000000 5.332896 0.000000\n0.000000 0.064342 9.195909\nNa Ca P C O\n6 2 2 2 14\ndirect\n0.482481 0.987617 0.015795 Na\n0.198728 0.504015 0.170463 Na\n0.473641 0.532246 0.480665 Na\n0.973641 0.467754 0.519335 Na\n0.698728 0.495985 0.829537 Na\n0.982481 0.012383 0.984205 Na\n0.762248 0.975041 0.309059 Ca\n0.262248 0.024959 0.690941 Ca\n0.235372 0.996921 0.336745 P\n0.735372 0.003079 0.663255 P\n0.746165 0.485561 0.147289 C\n0.246165 0.514439 0.852711 C\n0.725980 0.287494 0.066890 O\n0.767780 0.706080 0.086526 O\n0.085025 0.083321 0.220087 O\n0.433782 0.938838 0.263458 O\n0.746392 0.465689 0.288403 O\n0.162713 0.754103 0.411865 O\n0.254292 0.206213 0.452641 O\n0.754292 0.793787 0.547359 O\n0.662713 0.245897 0.588135 O\n0.246392 0.534311 0.711597 O\n0.933782 0.061162 0.736542 O\n0.585025 0.916679 0.779913 O\n0.267780 0.293920 0.913474 O\n0.225980 0.712506 0.933110 O\n",
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],
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"density_atomic": 0.07698638490689788,
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"formula_full": "Na6 Ca2 P2 C2 O14",
"formula_reduced": "Na3CaPCO7",
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"energy": -177.48088407999998,
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{
"id": "mp-1181338",
"created_at": "2022-09-04T14:46:30.087235Z",
"structure_string": "Fe2 Pb4 Cl6 O10\n1.0\n6.109374 0.000000 0.000000\n0.000000 6.930366 0.000000\n0.000000 3.098591 9.350961\nFe Pb Cl O\n2 4 6 10\ndirect\n0.995888 0.503373 0.500219 Fe\n0.495888 0.496627 0.499781 Fe\n0.742248 0.893790 0.269997 Pb\n0.242248 0.106210 0.730003 Pb\n0.750613 0.418314 0.221064 Pb\n0.250613 0.581686 0.778936 Pb\n0.707981 0.888976 0.020214 Cl\n0.207981 0.111024 0.979786 Cl\n0.678707 0.421407 0.969694 Cl\n0.178707 0.578593 0.030306 Cl\n0.918124 0.891488 0.691540 Cl\n0.418124 0.108512 0.308460 Cl\n0.011018 0.391407 0.704030 O\n0.511018 0.608593 0.295970 O\n0.977938 0.623793 0.295683 O\n0.477938 0.376207 0.704317 O\n0.240138 0.317450 0.492795 O\n0.740138 0.682550 0.507205 O\n0.747377 0.333950 0.488267 O\n0.247377 0.666050 0.511733 O\n0.437768 0.854404 0.726562 O\n0.937768 0.145596 0.273438 O\n",
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"elements": [
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],
"chemical_system": "Cl-Fe-O-Pb",
"density": 5.507715568465367,
"density_atomic": 0.055566565195429955,
"volume": 395.92153883590015,
"volume_molar": 10.837705621752715,
"formula_full": "Fe2 Pb4 Cl6 O10",
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{
"id": "mp-1220951",
"created_at": "2022-09-04T14:46:30.500571Z",
"structure_string": "Na8 Ti8 P8 O40\n1.0\n10.674053 0.000000 0.000000\n0.000000 8.815782 0.000000\n0.000000 0.003606 9.251723\nNa Ti P O\n8 8 8 40\ndirect\n0.000019 0.250033 0.143325 Na\n0.500019 0.749967 0.856675 Na\n0.048331 0.767905 0.490379 Na\n0.548331 0.232095 0.509621 Na\n0.853827 0.022893 0.798830 Na\n0.146693 0.475684 0.799240 Na\n0.646693 0.524316 0.200760 Na\n0.353827 0.977107 0.201170 Na\n0.380287 0.122022 0.851623 Ti\n0.620230 0.378472 0.852221 Ti\n0.120230 0.621528 0.147779 Ti\n0.880287 0.877978 0.148377 Ti\n0.113971 0.115369 0.638821 Ti\n0.885443 0.390398 0.636124 Ti\n0.385443 0.609602 0.363876 Ti\n0.613971 0.884631 0.361179 Ti\n0.124632 0.924263 0.943038 P\n0.875506 0.575687 0.943577 P\n0.375506 0.424313 0.056423 P\n0.624632 0.075737 0.056962 P\n0.359391 0.911545 0.559444 P\n0.640691 0.588955 0.560099 P\n0.140691 0.411045 0.439901 P\n0.859391 0.088455 0.440556 P\n0.084962 0.947269 0.782793 O\n0.915377 0.551872 0.783655 O\n0.415377 0.448128 0.216345 O\n0.584962 0.052731 0.217207 O\n0.253950 0.994071 0.975516 O\n0.746073 0.505804 0.975644 O\n0.246073 0.494196 0.024356 O\n0.753950 0.005929 0.024484 O\n0.248137 0.191689 0.741272 O\n0.751265 0.309301 0.738858 O\n0.251265 0.690699 0.261142 O\n0.748137 0.808311 0.258728 O\n0.398329 0.942138 0.718937 O\n0.601445 0.558445 0.719469 O\n0.101445 0.441555 0.280531 O\n0.898329 0.057862 0.281063 O\n0.999856 0.250684 0.718511 O\n0.499856 0.749316 0.281489 O\n0.500973 0.249501 0.771242 O\n0.000973 0.750499 0.228758 O\n0.451081 0.995430 0.455942 O\n0.550180 0.503496 0.455579 O\n0.050180 0.496504 0.544421 O\n0.951081 0.004570 0.544058 O\n0.222867 0.960055 0.528967 O\n0.775553 0.535915 0.529785 O\n0.275553 0.464085 0.470215 O\n0.722867 0.039945 0.471033 O\n0.365872 0.737163 0.536207 O\n0.633836 0.762636 0.536348 O\n0.133836 0.237364 0.463652 O\n0.865872 0.262837 0.463793 O\n0.135374 0.751578 0.973894 O\n0.864687 0.748217 0.974264 O\n0.364687 0.251783 0.025736 O\n0.635374 0.248422 0.026106 O\n0.021639 0.999340 0.038602 O\n0.978419 0.500544 0.039130 O\n0.478419 0.499456 0.960870 O\n0.521639 0.000660 0.961398 O\n",
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"formula_full": "Na8 Ti8 P8 O40",
"formula_reduced": "NaTiPO5",
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"spacegroup": 4
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{
"id": "mp-612946",
"created_at": "2022-09-04T14:46:30.834550Z",
"structure_string": "K2 Te2 O2 F6\n1.0\n5.888340 0.000000 0.000000\n0.000000 5.478632 0.000000\n0.000000 2.549486 7.735279\nK Te O F\n2 2 2 6\ndirect\n0.598386 0.322742 0.308911 K\n0.098386 0.677258 0.691089 K\n0.117855 0.859201 0.206253 Te\n0.617855 0.140799 0.793747 Te\n0.211991 0.586788 0.383910 O\n0.711991 0.413212 0.616090 O\n0.151824 0.656433 0.037057 F\n0.293256 0.208417 0.814518 F\n0.793256 0.791583 0.185482 F\n0.493688 0.959634 0.626996 F\n0.993688 0.040366 0.373004 F\n0.651824 0.343567 0.962943 F\n",
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"volume": 249.54047145343512,
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"formula_full": "K2 Te2 O2 F6",
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{
"id": "mp-1216194",
"created_at": "2022-09-04T14:46:30.855967Z",
"structure_string": "Y14 Mg6 Ge16\n1.0\n7.163185 0.000000 0.000000\n0.000000 7.824842 0.000000\n0.000000 0.000643 14.474330\nY Mg Ge\n14 6 16\ndirect\n0.508956 0.933763 0.847171 Y\n0.008956 0.066237 0.152829 Y\n0.487475 0.566641 0.344521 Y\n0.987475 0.433359 0.655479 Y\n0.490208 0.566139 0.656697 Y\n0.990208 0.433861 0.343303 Y\n0.511218 0.934859 0.152261 Y\n0.011218 0.065141 0.847739 Y\n0.329139 0.073156 0.374631 Y\n0.829139 0.926844 0.625369 Y\n0.330577 0.074786 0.624080 Y\n0.830577 0.925214 0.375920 Y\n0.669092 0.430646 0.120618 Y\n0.169092 0.569354 0.879382 Y\n0.841683 0.763574 0.000556 Mg\n0.341683 0.236426 0.999444 Mg\n0.160801 0.732220 0.500112 Mg\n0.660801 0.267780 0.499888 Mg\n0.673027 0.426148 0.873532 Mg\n0.173027 0.573852 0.126468 Mg\n0.669309 0.218323 0.715647 Ge\n0.169309 0.781677 0.284353 Ge\n0.327930 0.286722 0.210006 Ge\n0.827930 0.713278 0.789994 Ge\n0.334108 0.285346 0.788092 Ge\n0.834108 0.714654 0.211908 Ge\n0.670241 0.216749 0.284822 Ge\n0.170241 0.783251 0.715178 Ge\n0.714074 0.112495 0.000003 Ge\n0.214074 0.887505 0.999997 Ge\n0.287935 0.387448 0.500305 Ge\n0.787935 0.612552 0.499695 Ge\n0.471269 0.656052 0.000530 Ge\n0.971269 0.343948 0.999470 Ge\n0.522961 0.838961 0.500668 Ge\n0.022961 0.161039 0.499332 Ge\n",
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"formula_full": "Y14 Mg6 Ge16",
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