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{
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"results": [
{
"id": "mp-1176318",
"created_at": "2022-09-04T14:44:52.638149Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.037095 0.078170 -0.626876\n0.114387 5.584559 1.615507\n-0.445469 0.097836 10.157621\nLi Mn Co O\n9 2 5 16\ndirect\n0.258294 0.625986 0.259310 Li\n0.741706 0.385296 0.740690 Li\n0.258294 0.114704 0.259310 Li\n0.752221 0.370492 0.259017 Li\n0.247779 0.129508 0.740983 Li\n0.743312 0.868234 0.263533 Li\n0.741706 0.874014 0.740690 Li\n0.256688 0.631766 0.736467 Li\n0.500000 0.750000 0.500000 Li\n0.000652 0.999461 0.001079 Mn\n0.999348 0.500539 0.998921 Mn\n0.500000 0.250000 0.500000 Co\n0.000000 0.506738 0.500000 Co\n0.500000 0.250000 0.000000 Co\n0.000000 0.993262 0.500000 Co\n0.500000 0.750000 0.000000 Co\n0.896851 0.690889 0.113703 O\n0.366166 0.424753 0.609233 O\n0.896851 0.195409 0.113703 O\n0.355491 0.444408 0.111183 O\n0.855674 0.194146 0.611708 O\n0.357543 0.942328 0.115343 O\n0.366166 0.966014 0.609233 O\n0.895748 0.690787 0.618426 O\n0.633834 0.533986 0.390767 O\n0.103149 0.304591 0.886297 O\n0.633834 0.075247 0.390767 O\n0.144326 0.305854 0.388292 O\n0.644509 0.055592 0.888817 O\n0.104252 0.809213 0.381574 O\n0.103149 0.809111 0.886297 O\n0.642457 0.557672 0.884657 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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"updated_at": "2021-11-28T01:36:43.882000Z",
"spacegroup": 12
},
{
"id": "mp-759389",
"created_at": "2022-09-04T14:44:52.771095Z",
"structure_string": "Li16 Mn8 F32\n1.0\n-6.193433 6.193433 4.262122\n6.193433 -6.193433 4.262122\n6.193433 6.193433 -4.262121\nLi Mn F\n16 8 32\ndirect\n0.767941 0.375000 0.892941 Li\n0.130631 0.869369 0.000000 Li\n0.380631 0.880631 0.761263 Li\n0.125000 0.517941 0.892941 Li\n0.625000 0.232059 0.107059 Li\n0.869369 0.130631 0.000000 Li\n0.119369 0.619369 0.238737 Li\n0.482059 0.875000 0.107059 Li\n0.767941 0.875000 0.392941 Li\n0.130631 0.130631 0.261263 Li\n0.380631 0.619369 0.500000 Li\n0.625000 0.517941 0.392941 Li\n0.125000 0.232059 0.607059 Li\n0.869369 0.869369 0.738737 Li\n0.119369 0.880631 0.500000 Li\n0.482059 0.375000 0.607059 Li\n0.514545 0.650301 0.864245 Mn\n0.463944 0.099699 0.364245 Mn\n0.349699 0.485455 0.135755 Mn\n0.900301 0.536056 0.635755 Mn\n0.349699 0.213944 0.864245 Mn\n0.900301 0.264545 0.364245 Mn\n0.786056 0.650301 0.135755 Mn\n0.735455 0.099699 0.635755 Mn\n0.517444 0.145217 0.884342 F\n0.989125 0.604783 0.872227 F\n0.854783 0.482556 0.115658 F\n0.883102 0.267444 0.872227 F\n0.395217 0.010875 0.127773 F\n0.366898 0.739125 0.884342 F\n0.754773 0.887975 0.866798 F\n0.228823 0.862025 0.366798 F\n0.732556 0.116898 0.127773 F\n0.260875 0.633102 0.115658 F\n0.743962 0.362735 0.381227 F\n0.268492 0.387265 0.881227 F\n0.112025 0.978823 0.866798 F\n0.612735 0.493962 0.881227 F\n0.612735 0.731508 0.118773 F\n0.637265 0.256038 0.618773 F\n0.112025 0.245227 0.133202 F\n0.637265 0.018492 0.381227 F\n0.137975 0.771177 0.633202 F\n0.137975 0.504773 0.366798 F\n0.506038 0.387265 0.118773 F\n0.981508 0.362735 0.618773 F\n0.517444 0.633102 0.372227 F\n0.989125 0.116898 0.384342 F\n0.021177 0.887975 0.133202 F\n0.495227 0.862025 0.633202 F\n0.854783 0.739125 0.372227 F\n0.883102 0.010875 0.615658 F\n0.366898 0.482556 0.627773 F\n0.395217 0.267444 0.384342 F\n0.260875 0.145217 0.627773 F\n0.732556 0.604783 0.615658 F\n",
"nsites": 56,
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"elements": [
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"Mn",
"F"
],
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"density": 2.9417099673080087,
"density_atomic": 0.08563262776062633,
"volume": 653.9563419277513,
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"formula_full": "Li16 Mn8 F32",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy": -335.84642782,
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"updated_at": "2021-11-28T01:36:41.121000Z",
"spacegroup": 141
},
{
"id": "mp-1072167",
"created_at": "2022-09-04T14:45:05.162615Z",
"structure_string": "Eu2 N4\n1.0\n-2.267321 2.267321 5.958964\n2.267321 -2.267321 5.958964\n2.267321 2.267321 -5.958964\nEu N\n2 4\ndirect\n0.250000 0.750000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.302872 0.302872 0.000000 N\n0.052872 0.552872 0.500000 N\n0.447128 0.947128 0.500000 N\n0.697128 0.697128 0.000000 N\n",
"nsites": 6,
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"elements": [
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"density": 4.877983115078854,
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"volume": 122.53404604097881,
"volume_molar": 12.298621219184918,
"formula_full": "Eu2 N4",
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"energy": -49.51605429,
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"updated_at": "2021-11-28T01:36:53.089000Z",
"spacegroup": 141
},
{
"id": "mp-831152",
"created_at": "2022-09-04T14:45:07.982708Z",
"structure_string": "Li6 V4 P6 O24\n1.0\n7.980808 -4.242358 0.000000\n7.980808 4.242358 0.000000\n5.725698 0.000000 6.993374\nLi V P O\n6 4 6 24\ndirect\n0.080157 0.733272 0.333862 Li\n0.333862 0.080157 0.733272 Li\n0.733272 0.333862 0.080157 Li\n0.266728 0.666138 0.919843 Li\n0.666138 0.919843 0.266728 Li\n0.919843 0.266728 0.666138 Li\n0.350375 0.350375 0.350375 V\n0.855164 0.855164 0.855164 V\n0.144836 0.144836 0.144836 V\n0.649625 0.649625 0.649625 V\n0.752462 0.038861 0.458285 P\n0.038861 0.458285 0.752462 P\n0.458285 0.752462 0.038861 P\n0.541715 0.247538 0.961139 P\n0.961139 0.541715 0.247538 P\n0.247538 0.961139 0.541715 P\n0.790040 0.845617 0.456497 O\n0.537146 0.166212 0.493898 O\n0.166212 0.493898 0.537146 O\n0.845617 0.456497 0.790040 O\n0.456497 0.790040 0.845617 O\n0.811664 0.995785 0.608957 O\n0.138362 0.254548 0.875100 O\n0.995785 0.608957 0.811664 O\n0.493898 0.537146 0.166212 O\n0.254548 0.875100 0.138362 O\n0.608957 0.811664 0.995785 O\n0.875100 0.138362 0.254548 O\n0.124900 0.861638 0.745452 O\n0.391043 0.188336 0.004215 O\n0.745452 0.124900 0.861638 O\n0.506102 0.462854 0.833788 O\n0.004215 0.391043 0.188336 O\n0.861638 0.745452 0.124900 O\n0.188336 0.004215 0.391043 O\n0.543503 0.209960 0.154383 O\n0.154383 0.543503 0.209960 O\n0.833788 0.506102 0.462854 O\n0.462854 0.833788 0.506102 O\n0.209960 0.154383 0.543503 O\n",
"nsites": 40,
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"elements": [
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"P",
"O"
],
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"density_atomic": 0.08446738782655729,
"volume": 473.5555464569919,
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"formula_full": "Li6 V4 P6 O24",
"formula_reduced": "Li3V2(PO4)3",
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"spacegroup": 148
},
{
"id": "mp-1111554",
"created_at": "2022-09-04T14:45:05.168454Z",
"structure_string": "Li2 Fe1 Hg1 F6\n1.0\n6.209074 0.000000 0.000000\n3.104537 5.377216 0.000000\n3.104537 1.792405 5.069687\nLi Fe Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Hg\n0.222855 0.777145 0.222855 F\n0.777145 0.777145 0.222855 F\n0.777145 0.222855 0.777145 F\n0.777145 0.222855 0.222855 F\n0.222855 0.777145 0.777145 F\n0.222855 0.222855 0.777145 F\n",
"nsites": 10,
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"elements": [
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"Hg",
"F"
],
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"density": 3.770182742478016,
"density_atomic": 0.05907919035556225,
"volume": 169.2643372364447,
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"formula_full": "Li2 Fe1 Hg1 F6",
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"energy": -45.85142155,
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{
"id": "mp-1239158",
"created_at": "2022-09-04T14:45:08.619279Z",
"structure_string": "Ta4 Cr12 Cu8 S32\n1.0\n11.509681 -0.495980 0.000000\n-0.309021 7.080468 0.000000\n0.000000 0.000000 11.831439\nTa Cr Cu S\n4 12 8 32\ndirect\n0.089313 0.819132 0.680046 Ta\n0.910687 0.180868 0.180046 Ta\n0.381748 0.340307 0.828683 Ta\n0.618252 0.659693 0.328683 Ta\n0.376457 0.918618 0.195841 Cr\n0.623543 0.081382 0.695841 Cr\n0.121362 0.409518 0.325408 Cr\n0.878638 0.590482 0.825408 Cr\n0.162980 0.555767 0.957823 Cr\n0.837020 0.444233 0.457823 Cr\n0.349909 0.652656 0.459669 Cr\n0.650091 0.347345 0.959669 Cr\n0.144625 0.072170 0.965761 Cr\n0.855375 0.927830 0.465761 Cr\n0.347052 0.160232 0.466943 Cr\n0.652948 0.839768 0.966943 Cr\n0.118752 0.384381 0.682553 Cu\n0.881248 0.615619 0.182553 Cu\n0.435941 0.442079 0.186318 Cu\n0.564059 0.557921 0.686318 Cu\n0.144923 0.839501 0.334639 Cu\n0.855077 0.160499 0.834639 Cu\n0.369920 0.888967 0.828951 Cu\n0.630080 0.111033 0.328951 Cu\n0.040150 0.790031 0.883592 S\n0.959850 0.209969 0.383592 S\n0.466857 0.909072 0.382671 S\n0.533143 0.090928 0.882671 S\n0.040615 0.444275 0.132287 S\n0.959385 0.555725 0.632287 S\n0.465433 0.273658 0.640604 S\n0.534567 0.726342 0.140604 S\n0.029657 0.326003 0.864388 S\n0.970343 0.673997 0.364388 S\n0.472869 0.423072 0.390749 S\n0.527131 0.576928 0.890749 S\n0.031273 0.959231 0.132990 S\n0.968727 0.040769 0.632990 S\n0.482729 0.832465 0.660704 S\n0.517271 0.167535 0.160704 S\n0.225384 0.880166 0.527570 S\n0.774616 0.119834 0.027570 S\n0.282244 0.844589 0.015321 S\n0.717756 0.155411 0.515321 S\n0.213892 0.388928 0.508791 S\n0.786108 0.611072 0.008791 S\n0.288811 0.321949 0.017099 S\n0.711189 0.678051 0.517099 S\n0.226436 0.088553 0.779983 S\n0.773564 0.911447 0.279983 S\n0.241268 0.124459 0.294963 S\n0.758732 0.875541 0.794963 S\n0.261047 0.590441 0.777130 S\n0.738953 0.409559 0.277130 S\n0.275369 0.622419 0.272525 S\n0.724631 0.377581 0.772525 S\n",
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],
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"formula_full": "Ta4 Cr12 Cu8 S32",
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},
{
"id": "mp-1209027",
"created_at": "2022-09-04T14:45:05.180540Z",
"structure_string": "Sr8 V8 O4 F40\n1.0\n3.937359 -10.063844 0.000000\n3.937359 10.063844 0.000000\n0.000000 0.000000 10.787626\nSr V O F\n8 8 4 40\ndirect\n0.381569 0.618431 0.955679 Sr\n0.618431 0.381569 0.044321 Sr\n0.118431 0.881569 0.455679 Sr\n0.881569 0.118431 0.544321 Sr\n0.468498 0.031502 0.750000 Sr\n0.531502 0.968498 0.250000 Sr\n0.031502 0.468498 0.250000 Sr\n0.968498 0.531502 0.750000 Sr\n0.328556 0.671444 0.565692 V\n0.671444 0.328556 0.434308 V\n0.171444 0.828556 0.065692 V\n0.828556 0.171444 0.934308 V\n0.280730 0.219270 0.750000 V\n0.719270 0.780730 0.250000 V\n0.219270 0.280730 0.250000 V\n0.780730 0.719270 0.750000 V\n0.407182 0.592818 0.548218 O\n0.592818 0.407182 0.451782 O\n0.092818 0.907182 0.048218 O\n0.907182 0.092818 0.951782 O\n0.218442 0.781558 0.604004 F\n0.781558 0.218442 0.395996 F\n0.281558 0.718442 0.104004 F\n0.718442 0.281558 0.895996 F\n0.198991 0.801009 0.892159 F\n0.801009 0.198991 0.107841 F\n0.301009 0.698991 0.392159 F\n0.698991 0.301009 0.607841 F\n0.031685 0.968315 0.790149 F\n0.968315 0.031685 0.209851 F\n0.468315 0.531685 0.290149 F\n0.531685 0.468315 0.709851 F\n0.321122 0.678878 0.746130 F\n0.678878 0.321122 0.253870 F\n0.178878 0.821122 0.246130 F\n0.821122 0.178878 0.753870 F\n0.768410 0.834408 0.629328 F\n0.231590 0.165592 0.370672 F\n0.731590 0.665592 0.129328 F\n0.665592 0.731590 0.870672 F\n0.268410 0.334408 0.870672 F\n0.334408 0.268410 0.129328 F\n0.834408 0.768410 0.370672 F\n0.165592 0.231590 0.629328 F\n0.305158 0.098110 0.637847 F\n0.694842 0.901890 0.362153 F\n0.194842 0.401890 0.137847 F\n0.401890 0.194842 0.862153 F\n0.805158 0.598110 0.862153 F\n0.598110 0.805158 0.137847 F\n0.098110 0.305158 0.362153 F\n0.901890 0.694842 0.637847 F\n0.549323 0.927878 0.578101 F\n0.450677 0.072122 0.421899 F\n0.950677 0.572122 0.078101 F\n0.572122 0.950677 0.921899 F\n0.049323 0.427878 0.921899 F\n0.427878 0.049323 0.078101 F\n0.927878 0.549323 0.421899 F\n0.072122 0.450677 0.578101 F\n",
"nsites": 60,
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"elements": [
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},
{
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{
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