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{
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"results": [
{
"id": "mp-774348",
"created_at": "2022-09-04T14:45:27.699614Z",
"structure_string": "Li6 Mn2 Fe4 B6 O18\n1.0\n3.151319 8.249152 0.000000\n-3.151319 8.249152 0.000000\n0.000000 4.112926 7.156943\nLi Mn Fe B O\n6 2 4 6 18\ndirect\n0.260159 0.756938 0.698558 Li\n0.756938 0.260159 0.698558 Li\n0.100573 0.597932 0.284155 Li\n0.597932 0.100573 0.284155 Li\n0.393180 0.892230 0.015975 Li\n0.892230 0.393180 0.015975 Li\n0.820483 0.820483 0.987384 Mn\n0.993830 0.993830 0.371161 Mn\n0.319163 0.319163 0.992539 Fe\n0.496202 0.496202 0.368465 Fe\n0.183111 0.183111 0.641259 Fe\n0.684093 0.684093 0.639927 Fe\n0.916533 0.416738 0.334877 B\n0.416738 0.916533 0.334877 B\n0.085423 0.580138 0.666070 B\n0.580138 0.085423 0.666070 B\n0.001343 0.001343 0.999239 B\n0.500024 0.500024 0.999753 B\n0.543043 0.543043 0.805876 O\n0.041341 0.041341 0.804910 O\n0.459837 0.959783 0.442995 O\n0.959783 0.459837 0.442995 O\n0.904298 0.904298 0.113056 O\n0.402615 0.402615 0.107509 O\n0.815901 0.323191 0.420634 O\n0.323191 0.815901 0.420634 O\n0.467333 0.973786 0.140564 O\n0.973786 0.467333 0.140564 O\n0.126828 0.619939 0.779403 O\n0.619939 0.126828 0.779403 O\n0.553959 0.553959 0.086985 O\n0.058695 0.058695 0.078373 O\n0.985905 0.486019 0.746131 O\n0.486019 0.985905 0.746131 O\n0.143032 0.636383 0.472421 O\n0.636383 0.143032 0.472421 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2477039531879055,
"density_atomic": 0.09674828443806259,
"volume": 372.09962129144407,
"volume_molar": 6.22454526711047,
"formula_full": "Li6 Mn2 Fe4 B6 O18",
"formula_reduced": "Li3MnFe2(BO3)3",
"formula_anonymous": "AB2C3D3E9",
"energy": -278.99543852,
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"energy_uncorrected": -254.26943852,
"band_gap": 2.8263,
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"is_magnetic": true,
"total_magnetization": 26.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.833000Z",
"spacegroup": 8
},
{
"id": "mp-1176234",
"created_at": "2022-09-04T14:46:12.766659Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.988276 0.000000 0.000000\n-0.245960 5.012560 0.000000\n-0.658060 -1.422228 19.222657\nLi Mn Co O\n9 2 5 16\ndirect\n0.065660 0.682268 0.123797 Li\n0.689460 0.562217 0.377028 Li\n0.309689 0.450049 0.629674 Li\n0.921417 0.312529 0.868387 Li\n0.558464 0.192602 0.126533 Li\n0.188566 0.063777 0.378245 Li\n0.827677 0.938298 0.629328 Li\n0.435844 0.795912 0.866314 Li\n0.875175 0.624475 0.749326 Li\n0.997214 0.998817 0.998783 Mn\n0.625902 0.875159 0.250384 Mn\n0.252259 0.751002 0.501289 Co\n0.496589 0.499303 0.998417 Co\n0.126271 0.374903 0.250606 Co\n0.751690 0.251478 0.501835 Co\n0.375814 0.125733 0.749643 Co\n0.551542 0.831117 0.056923 O\n0.182828 0.706451 0.308299 O\n0.817792 0.592406 0.559439 O\n0.408221 0.428025 0.805474 O\n0.058136 0.339270 0.056543 O\n0.685166 0.214849 0.308064 O\n0.269870 0.086099 0.556136 O\n0.884309 0.984187 0.804328 O\n0.564763 0.535840 0.192665 O\n0.229503 0.416778 0.444912 O\n0.867649 0.265554 0.695217 O\n0.448736 0.164082 0.942664 O\n0.065131 0.044776 0.191678 O\n0.684721 0.909790 0.443022 O\n0.343388 0.823152 0.694057 O\n0.940551 0.659099 0.940988 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.169601661728279,
"density_atomic": 0.11113638616479456,
"volume": 287.9345019600508,
"volume_molar": 5.418694063949756,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -206.19720693,
"energy_per_atom": -6.4436627165625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.67920693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.282000Z",
"spacegroup": 1
},
{
"id": "mp-850892",
"created_at": "2022-09-04T14:47:06.194876Z",
"structure_string": "Li12 Mn5 V3 P12 O48\n1.0\n8.677494 0.000000 0.000000\n0.004508 8.691918 0.000000\n0.386208 0.048245 12.313589\nLi Mn V P O\n12 5 3 12 48\ndirect\n0.923063 0.080461 0.697178 Li\n0.918222 0.697459 0.761504 Li\n0.791837 0.783230 0.175205 Li\n0.708782 0.280499 0.325808 Li\n0.584505 0.194056 0.739034 Li\n0.574988 0.582386 0.802793 Li\n0.422879 0.419008 0.197688 Li\n0.417118 0.803834 0.263171 Li\n0.291791 0.716953 0.674947 Li\n0.207290 0.216556 0.827077 Li\n0.087228 0.305027 0.238180 Li\n0.077220 0.920094 0.301422 Li\n0.747686 0.034575 0.896704 Mn\n0.747635 0.959418 0.390787 Mn\n0.247219 0.540956 0.890759 Mn\n0.253521 0.964845 0.104180 Mn\n0.248540 0.465963 0.396506 Mn\n0.752460 0.530944 0.608433 V\n0.752510 0.459824 0.111137 V\n0.252796 0.037736 0.610046 V\n0.963720 0.250760 0.493852 P\n0.894804 0.382930 0.852278 P\n0.898375 0.103226 0.152371 P\n0.603082 0.600592 0.351245 P\n0.603752 0.883605 0.642873 P\n0.539549 0.748082 0.007132 P\n0.462880 0.248201 0.994730 P\n0.396061 0.117180 0.355519 P\n0.395778 0.396103 0.653412 P\n0.100477 0.898561 0.847311 P\n0.104024 0.616718 0.141985 P\n0.039074 0.752121 0.507020 P\n0.955591 0.868210 0.433941 O\n0.919606 0.888406 0.851482 O\n0.931904 0.681845 0.596541 O\n0.928550 0.594343 0.165295 O\n0.894288 0.369518 0.572974 O\n0.855860 0.212319 0.820270 O\n0.851161 0.410798 0.971285 O\n0.857463 0.982023 0.244170 O\n0.843177 0.266843 0.187546 O\n0.831368 0.175944 0.433163 O\n0.829399 0.046571 0.049116 O\n0.804071 0.500206 0.781317 O\n0.697104 0.002966 0.706810 O\n0.671653 0.549670 0.456776 O\n0.670931 0.667906 0.068142 O\n0.654908 0.761445 0.309446 O\n0.635719 0.901673 0.519646 O\n0.641711 0.714289 0.678109 O\n0.643303 0.477975 0.261510 O\n0.608631 0.866908 0.926946 O\n0.570879 0.177961 0.903732 O\n0.575270 0.387537 0.650616 O\n0.570828 0.098854 0.331463 O\n0.549276 0.364964 0.065786 O\n0.454757 0.633172 0.934788 O\n0.428623 0.904917 0.667237 O\n0.421781 0.610509 0.354050 O\n0.432432 0.817799 0.098609 O\n0.398297 0.129204 0.077719 O\n0.356851 0.518216 0.745402 O\n0.356878 0.287626 0.321711 O\n0.355988 0.093907 0.476512 O\n0.342072 0.232612 0.689240 O\n0.330798 0.323907 0.933951 O\n0.326364 0.454313 0.550259 O\n0.303088 0.997403 0.291237 O\n0.197706 0.498243 0.206960 O\n0.171280 0.953527 0.950854 O\n0.172232 0.832695 0.567210 O\n0.152838 0.737274 0.807443 O\n0.139480 0.020344 0.756018 O\n0.136339 0.599049 0.019194 O\n0.141252 0.786346 0.177782 O\n0.109168 0.633106 0.426866 O\n0.070205 0.401796 0.829919 O\n0.072181 0.323135 0.403212 O\n0.078862 0.114508 0.150090 O\n0.049009 0.135318 0.565368 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.9509395435444814,
"density_atomic": 0.08613812036343739,
"volume": 928.7409530468137,
"volume_molar": 6.99126093603058,
"formula_full": "Li12 Mn5 V3 P12 O48",
"formula_reduced": "Li12Mn5V3(PO4)12",
"formula_anonymous": "A3B5C12D12E48",
"energy": -608.63632193,
"energy_per_atom": -7.607954024125,
"energy_above_hull": null,
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"energy_uncorrected": -562.22032193,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.295000Z",
"spacegroup": 1
},
{
"id": "mp-780320",
"created_at": "2022-09-04T14:39:39.075909Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n5.260755 0.000000 0.000000\n0.223996 6.166959 0.000000\n2.526765 1.603951 11.416916\nLi Mn B O\n2 6 6 18\ndirect\n0.304260 0.034904 0.704145 Li\n0.695740 0.965096 0.295855 Li\n0.843298 0.874855 0.619455 Mn\n0.485710 0.457016 0.713384 Mn\n0.156702 0.125145 0.380545 Mn\n0.514290 0.542984 0.286616 Mn\n0.167976 0.211541 0.961476 Mn\n0.832024 0.788459 0.038524 Mn\n0.576896 0.225384 0.496699 B\n0.911235 0.576048 0.830540 B\n0.250951 0.927247 0.165878 B\n0.423104 0.774616 0.503301 B\n0.749049 0.072753 0.834122 B\n0.088765 0.423952 0.169460 B\n0.499616 0.137725 0.824634 O\n0.935547 0.020141 0.741815 O\n0.822488 0.142713 0.509357 O\n0.404403 0.291196 0.586483 O\n0.518935 0.216806 0.385801 O\n0.857172 0.593216 0.717698 O\n0.500384 0.862275 0.175366 O\n0.481065 0.783194 0.614199 O\n0.064453 0.979859 0.258185 O\n0.595597 0.708804 0.413517 O\n0.168529 0.923457 0.059572 O\n0.177512 0.857287 0.490643 O\n0.831471 0.076543 0.940428 O\n0.142828 0.406784 0.282302 O\n0.263853 0.347364 0.082247 O\n0.858329 0.530806 0.153453 O\n0.736147 0.652636 0.917753 O\n0.141671 0.469194 0.846547 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.121895646021911,
"density_atomic": 0.08639369220818892,
"volume": 370.3974119185387,
"volume_molar": 6.970579224103568,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -264.60138014,
"energy_per_atom": -8.268793129375,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.076000Z",
"spacegroup": 2
},
{
"id": "mp-1175981",
"created_at": "2022-09-04T14:39:12.331859Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.016419 0.000000 0.000000\n-0.326503 10.020440 0.000000\n-0.208363 -2.941563 9.684242\nLi Mn Co O\n9 2 5 16\ndirect\n0.999018 0.251256 0.247119 Li\n0.499069 0.502125 0.756039 Li\n0.003832 0.750297 0.246309 Li\n0.500597 0.498185 0.244256 Li\n0.002025 0.749246 0.751952 Li\n0.502993 0.997674 0.251292 Li\n0.497589 0.001890 0.748540 Li\n0.994814 0.249058 0.754692 Li\n0.000026 0.500034 0.000030 Li\n0.000053 0.999789 0.999938 Mn\n0.499744 0.250544 0.500454 Mn\n0.500298 0.749449 0.499526 Co\n0.998084 0.502110 0.499712 Co\n0.507343 0.738467 0.999272 Co\n0.001723 0.997799 0.500227 Co\n0.492870 0.261503 0.000821 Co\n0.476485 0.129814 0.110746 O\n0.964181 0.376993 0.618011 O\n0.496115 0.640086 0.114963 O\n0.973882 0.365487 0.114538 O\n0.504457 0.625513 0.614655 O\n0.975787 0.875185 0.113948 O\n0.006428 0.873776 0.616871 O\n0.506897 0.122364 0.613489 O\n0.493039 0.377445 0.386538 O\n0.028195 0.634755 0.885355 O\n0.495832 0.874944 0.385308 O\n0.993818 0.626030 0.382442 O\n0.523684 0.870651 0.889452 O\n0.035147 0.123364 0.382617 O\n0.022019 0.124506 0.885994 O\n0.503954 0.359661 0.884895 O\n",
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"Co",
"O"
],
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"density": 4.101513842634642,
"density_atomic": 0.10932157631728198,
"volume": 292.7144034872585,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.08251934,
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"updated_at": "2021-11-28T01:34:44.780000Z",
"spacegroup": 1
},
{
"id": "mp-1213273",
"created_at": "2022-09-04T14:44:00.601510Z",
"structure_string": "Eu4 Cu2 Ge4 O16\n1.0\n7.631253 5.063808 0.000000\n-7.631253 5.063808 0.000000\n0.000000 2.537911 4.566752\nEu Cu Ge O\n4 2 4 16\ndirect\n0.458208 0.698637 0.192910 Eu\n0.698637 0.458208 0.192910 Eu\n0.200396 0.958914 0.675822 Eu\n0.958914 0.200396 0.675822 Eu\n0.664465 0.077599 0.362049 Cu\n0.077599 0.664465 0.362049 Cu\n0.842545 0.842545 0.352509 Ge\n0.527792 0.105597 0.918544 Ge\n0.105597 0.527792 0.918544 Ge\n0.333498 0.333498 0.988483 Ge\n0.375540 0.907075 0.934652 O\n0.907075 0.375540 0.934652 O\n0.756153 0.947851 0.550288 O\n0.947851 0.756153 0.550288 O\n0.499694 0.499694 0.019294 O\n0.716840 0.226063 0.564244 O\n0.226063 0.716840 0.564244 O\n0.427666 0.241242 0.772823 O\n0.241242 0.427666 0.772823 O\n0.672340 0.672340 0.335607 O\n0.175634 0.175634 0.343737 O\n0.515729 0.156621 0.241743 O\n0.156621 0.515729 0.241743 O\n0.998310 0.998310 0.992339 O\n0.655187 0.996003 0.078540 O\n0.996003 0.655187 0.078540 O\n",
"nsites": 26,
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"elements": [
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"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Eu-Ge-O",
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"density_atomic": 0.07366527968688491,
"volume": 352.9478216944711,
"volume_molar": 8.17500562761341,
"formula_full": "Eu4 Cu2 Ge4 O16",
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"formula_anonymous": "AB2C2D8",
"energy": -209.66510335,
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"updated_at": "2021-11-28T01:36:12.832000Z",
"spacegroup": 8
},
{
"id": "mp-768439",
"created_at": "2022-09-04T14:44:01.510015Z",
"structure_string": "Li6 Co8 B8 O24\n1.0\n8.926803 0.000000 0.000000\n0.000000 5.216971 0.000000\n0.000000 4.915307 10.124724\nLi Co B O\n6 8 8 24\ndirect\n0.254572 0.989145 0.848869 Li\n0.245441 0.560607 0.589573 Li\n0.754559 0.560607 0.089573 Li\n0.753104 0.073045 0.593084 Li\n0.745428 0.989145 0.348869 Li\n0.246896 0.073045 0.093084 Li\n0.413032 0.542188 0.132445 Co\n0.406529 0.968651 0.371884 Co\n0.593471 0.968651 0.871884 Co\n0.586968 0.542188 0.632445 Co\n0.923494 0.477702 0.359043 Co\n0.916382 0.047607 0.112260 Co\n0.083618 0.047607 0.612260 Co\n0.076506 0.477702 0.859043 Co\n0.419572 0.042935 0.627033 B\n0.582750 0.456691 0.374447 B\n0.417250 0.456691 0.874447 B\n0.580428 0.042935 0.127033 B\n0.919439 0.965778 0.874902 B\n0.083438 0.546466 0.120202 B\n0.916562 0.546466 0.620202 B\n0.080561 0.965778 0.374902 B\n0.289216 0.157130 0.647145 O\n0.457369 0.355511 0.332837 O\n0.430325 0.694579 0.900679 O\n0.282690 0.319836 0.888850 O\n0.418820 0.837260 0.576671 O\n0.581180 0.837260 0.076671 O\n0.557653 0.123769 0.659730 O\n0.442347 0.123769 0.159730 O\n0.717310 0.319836 0.388850 O\n0.542631 0.355511 0.832837 O\n0.569675 0.694579 0.400679 O\n0.781792 0.828480 0.881981 O\n0.710784 0.157130 0.147145 O\n0.916167 0.311011 0.594474 O\n0.945191 0.630976 0.155073 O\n0.788844 0.698853 0.609487 O\n0.047009 0.872358 0.837800 O\n0.952991 0.872358 0.337800 O\n0.922377 0.181883 0.913133 O\n0.077623 0.181883 0.413133 O\n0.211156 0.698853 0.109487 O\n0.083833 0.311011 0.094474 O\n0.054809 0.630976 0.655073 O\n0.218208 0.828480 0.381981 O\n",
"nsites": 46,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Co-Li-O",
"density": 3.463885267139042,
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"volume": 471.517229223069,
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"formula_full": "Li6 Co8 B8 O24",
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{
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}