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{
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"results": [
{
"id": "mp-760368",
"created_at": "2022-09-04T14:44:00.934563Z",
"structure_string": "Li1 Mn5 O5 F1\n1.0\n1.744044 -3.020773 0.000000\n1.744044 3.020773 0.000000\n0.000000 0.000000 15.969543\nLi Mn O F\n1 5 5 1\ndirect\n0.666667 0.333333 0.841039 Li\n0.333333 0.666667 0.329185 Mn\n0.333333 0.666667 0.992887 Mn\n0.333333 0.666667 0.664487 Mn\n0.666667 0.333333 0.497263 Mn\n0.666667 0.333333 0.160796 Mn\n0.333333 0.666667 0.464309 O\n0.333333 0.666667 0.127832 O\n0.666667 0.333333 0.295793 O\n0.666667 0.333333 0.959201 O\n0.666667 0.333333 0.632725 O\n0.333333 0.666667 0.797514 F\n",
"nsites": 12,
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"elements": [
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"Mn",
"O",
"F"
],
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"density": 3.7562133608700243,
"density_atomic": 0.07131538546908982,
"volume": 168.2666358888455,
"volume_molar": 8.444378054452462,
"formula_full": "Li1 Mn5 O5 F1",
"formula_reduced": "LiMn5O5F",
"formula_anonymous": "ABC5D5",
"energy": -99.42861388,
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"updated_at": "2021-11-28T01:36:35.364000Z",
"spacegroup": 156
},
{
"id": "mp-775988",
"created_at": "2022-09-04T14:40:13.775724Z",
"structure_string": "Mn2 Nb1 Fe3 P6 O24\n1.0\n7.540874 -4.350288 0.000000\n7.540874 4.350288 0.000000\n5.031218 0.000000 7.104691\nMn Nb Fe P O\n2 1 3 6 24\ndirect\n0.004748 0.004748 0.004748 Mn\n0.500585 0.500585 0.500585 Mn\n0.856002 0.856002 0.856002 Nb\n0.146981 0.146981 0.146981 Fe\n0.355035 0.355035 0.355035 Fe\n0.644495 0.644495 0.644495 Fe\n0.747089 0.044625 0.450860 P\n0.044625 0.450860 0.747089 P\n0.450860 0.747089 0.044625 P\n0.538268 0.255258 0.957548 P\n0.957548 0.538268 0.255258 P\n0.255258 0.957548 0.538268 P\n0.308385 0.115354 0.507538 O\n0.507538 0.308385 0.115354 O\n0.913471 0.060286 0.263309 O\n0.115354 0.507538 0.308385 O\n0.812451 0.994198 0.616212 O\n0.587808 0.236706 0.444916 O\n0.060286 0.263309 0.913471 O\n0.236706 0.444916 0.587808 O\n0.387693 0.186857 0.996731 O\n0.444916 0.587808 0.236706 O\n0.736564 0.088460 0.936641 O\n0.996731 0.387693 0.186857 O\n0.994198 0.616212 0.812451 O\n0.263309 0.913471 0.060286 O\n0.559761 0.413054 0.762757 O\n0.616212 0.812451 0.994198 O\n0.762757 0.559761 0.413054 O\n0.936641 0.736564 0.088460 O\n0.413054 0.762757 0.559761 O\n0.186857 0.996731 0.387693 O\n0.886453 0.495498 0.687401 O\n0.088460 0.936641 0.736564 O\n0.495498 0.687401 0.886453 O\n0.687401 0.886453 0.495498 O\n",
"nsites": 36,
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"elements": [
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"Nb",
"Fe",
"P",
"O"
],
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"density": 3.349109532260218,
"density_atomic": 0.07723028142402996,
"volume": 466.1384024012984,
"volume_molar": 7.7976418691726135,
"formula_full": "Mn2 Nb1 Fe3 P6 O24",
"formula_reduced": "Mn2NbFe3(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -295.75792016,
"energy_per_atom": -8.215497782222222,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:55.327000Z",
"spacegroup": 146
},
{
"id": "mp-759115",
"created_at": "2022-09-04T14:46:16.191220Z",
"structure_string": "Li1 Mn5 O3 F5\n1.0\n5.558423 -3.227072 0.000000\n5.558423 3.227072 0.000000\n3.684871 0.000000 5.266097\nLi Mn O F\n1 5 3 5\ndirect\n0.246755 0.246755 0.246755 Li\n0.016336 0.016336 0.016336 Mn\n0.621513 0.621513 0.110101 Mn\n0.110101 0.621513 0.621513 Mn\n0.631858 0.631858 0.631858 Mn\n0.621513 0.110101 0.621513 Mn\n0.868446 0.868446 0.405110 O\n0.405110 0.868446 0.868446 O\n0.868446 0.405110 0.868446 O\n0.375755 0.375755 0.375755 F\n0.382398 0.844639 0.382398 F\n0.382398 0.382398 0.844639 F\n0.844639 0.382398 0.382398 F\n0.874731 0.874731 0.874731 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.7322602395469837,
"density_atomic": 0.0741052431513433,
"volume": 188.92050554922474,
"volume_molar": 8.12647054905566,
"formula_full": "Li1 Mn5 O3 F5",
"formula_reduced": "LiMn5O3F5",
"formula_anonymous": "AB3C5D5",
"energy": -107.00162942,
"energy_per_atom": -7.64297353,
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"updated_at": "2021-11-28T01:37:27.658000Z",
"spacegroup": 160
},
{
"id": "mp-764443",
"created_at": "2022-09-04T14:40:58.885763Z",
"structure_string": "Li4 Mn3 Fe3 W2 O16\n1.0\n5.962360 0.000000 0.000000\n2.977454 5.265162 0.000000\n0.139266 0.208447 9.869249\nLi Mn Fe W O\n4 3 3 2 16\ndirect\n0.659983 0.677170 0.909890 Li\n0.995706 0.008097 0.987842 Li\n0.000063 0.993034 0.485225 Li\n0.340564 0.329362 0.408171 Li\n0.830164 0.340164 0.210597 Mn\n0.661513 0.171236 0.713655 Mn\n0.166652 0.174742 0.713395 Mn\n0.823928 0.833519 0.215912 Fe\n0.337200 0.831978 0.214197 Fe\n0.169402 0.660963 0.713442 Fe\n0.671392 0.665224 0.483632 W\n0.316978 0.355713 0.987141 W\n0.835776 0.809543 0.585332 O\n0.534279 0.957051 0.354492 O\n0.676931 0.658590 0.113730 O\n0.986249 0.012157 0.297836 O\n0.991931 0.012287 0.799900 O\n0.354041 0.813220 0.578813 O\n0.969121 0.526684 0.350785 O\n0.542774 0.501059 0.353809 O\n0.160812 0.656340 0.089889 O\n0.839643 0.329212 0.591122 O\n0.479161 0.486243 0.860961 O\n0.031922 0.485349 0.858891 O\n0.346824 0.316744 0.613643 O\n0.645069 0.163113 0.086559 O\n0.471999 0.050012 0.843337 O\n0.160220 0.181192 0.085645 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-Li-Mn-O-W",
"density": 5.272718769544346,
"density_atomic": 0.09037410141386136,
"volume": 309.82327416763036,
"volume_molar": 6.6635691705769355,
"formula_full": "Li4 Mn3 Fe3 W2 O16",
"formula_reduced": "Li4Mn3Fe3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -223.24265719,
"energy_per_atom": -7.972952042499999,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:12.309000Z",
"spacegroup": 1
},
{
"id": "mp-770973",
"created_at": "2022-09-04T14:46:39.999047Z",
"structure_string": "Li24 Mn1 Cr11 O36\n1.0\n4.357219 7.582473 0.000000\n-4.357219 7.582473 0.000000\n0.000000 6.644131 9.632213\nLi Mn Cr O\n24 1 11 36\ndirect\n0.994776 0.009284 0.248764 Li\n0.000680 0.334032 0.002032 Li\n0.667812 0.001798 0.751700 Li\n0.663236 0.672591 0.748996 Li\n0.665292 0.002514 0.500816 Li\n0.327409 0.336764 0.251004 Li\n0.668836 0.325439 0.255079 Li\n0.665671 0.000164 0.249381 Li\n0.334828 0.665172 0.000000 Li\n0.340054 0.991714 0.752467 Li\n0.330443 0.669949 0.750667 Li\n0.331057 0.339141 0.748457 Li\n0.330051 0.669557 0.249333 Li\n0.006983 0.658657 0.751689 Li\n0.999836 0.334329 0.750619 Li\n0.990716 0.005224 0.751236 Li\n0.997486 0.334708 0.499184 Li\n0.660859 0.668943 0.251543 Li\n0.008286 0.659946 0.247533 Li\n0.998202 0.332188 0.248300 Li\n0.665968 0.999320 0.997968 Li\n0.674561 0.331164 0.744921 Li\n0.333872 0.666128 0.500000 Li\n0.341343 0.993017 0.248311 Li\n0.667952 0.332048 0.500000 Mn\n0.659577 0.668078 0.000879 Cr\n0.672987 0.327013 0.000000 Cr\n0.331361 0.008555 0.001110 Cr\n0.331922 0.340423 0.999121 Cr\n0.329174 0.335565 0.501539 Cr\n0.338177 0.004371 0.498845 Cr\n0.007292 0.992708 0.000000 Cr\n0.991445 0.668639 0.998890 Cr\n0.995629 0.661823 0.501155 Cr\n0.004854 0.995146 0.500000 Cr\n0.664435 0.670826 0.498461 Cr\n0.830836 0.162216 0.114889 O\n0.809499 0.497824 0.888787 O\n0.855549 0.825013 0.614652 O\n0.524949 0.501271 0.113852 O\n0.834665 0.170242 0.387741 O\n0.502176 0.190501 0.111213 O\n0.506643 0.835384 0.886192 O\n0.498729 0.475051 0.886148 O\n0.500384 0.189930 0.611685 O\n0.491059 0.831968 0.615750 O\n0.188942 0.167503 0.112440 O\n0.502259 0.478212 0.388982 O\n0.160981 0.857776 0.113289 O\n0.164616 0.493357 0.113808 O\n0.480448 0.164671 0.387846 O\n0.175522 0.141610 0.887607 O\n0.167247 0.511463 0.885554 O\n0.142224 0.839019 0.886711 O\n0.193561 0.168553 0.612577 O\n0.161301 0.500735 0.615537 O\n0.160000 0.860005 0.613525 O\n0.858390 0.824478 0.112393 O\n0.168032 0.508941 0.384250 O\n0.174987 0.144451 0.385348 O\n0.830394 0.525907 0.111520 O\n0.139995 0.840000 0.386475 O\n0.837784 0.169164 0.885111 O\n0.832497 0.811058 0.887560 O\n0.835329 0.519552 0.612154 O\n0.829758 0.165335 0.612259 O\n0.831447 0.806439 0.387423 O\n0.488537 0.832753 0.114446 O\n0.810070 0.499616 0.388315 O\n0.474093 0.169606 0.888480 O\n0.521788 0.497741 0.611018 O\n0.499265 0.838699 0.384463 O\n",
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"elements": [
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"Mn",
"Cr",
"O"
],
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"density": 3.572903906015372,
"density_atomic": 0.11312436692601599,
"volume": 636.4676502197659,
"volume_molar": 5.323469137235937,
"formula_full": "Li24 Mn1 Cr11 O36",
"formula_reduced": "Li24MnCr11O36",
"formula_anonymous": "AB11C24D36",
"energy": -500.10200245,
"energy_per_atom": -6.945861145138888,
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"updated_at": "2021-11-28T01:37:46.309000Z",
"spacegroup": 5
},
{
"id": "mp-770493",
"created_at": "2022-09-04T14:45:24.612392Z",
"structure_string": "Li5 V2 Fe5 O12\n1.0\n4.527209 2.579389 0.000000\n-4.527209 2.579389 0.000000\n0.000000 1.804854 9.843234\nLi V Fe O\n5 2 5 12\ndirect\n0.834308 0.669325 0.253154 Li\n0.677875 0.838666 0.745798 Li\n0.330675 0.165692 0.746846 Li\n0.161334 0.322125 0.254202 Li\n0.075830 0.924170 0.500000 Li\n0.750046 0.249954 0.500000 V\n0.247381 0.752619 0.000000 V\n0.920463 0.079537 0.000000 Fe\n0.003528 0.511605 0.746103 Fe\n0.488395 0.996472 0.253897 Fe\n0.582186 0.417814 0.000000 Fe\n0.421353 0.578647 0.500000 Fe\n0.041122 0.227348 0.613745 O\n0.772652 0.958878 0.386255 O\n0.889561 0.374610 0.114505 O\n0.625390 0.110439 0.885495 O\n0.700228 0.520040 0.617558 O\n0.479960 0.299772 0.382442 O\n0.538460 0.722480 0.120621 O\n0.277520 0.461540 0.879379 O\n0.412232 0.895503 0.610565 O\n0.104497 0.587768 0.389435 O\n0.190212 0.025205 0.121055 O\n0.974795 0.809788 0.878945 O\n",
"nsites": 24,
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"elements": [
"Li",
"V",
"Fe",
"O"
],
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"density_atomic": 0.10439893029258322,
"volume": 229.8874129527841,
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"formula_full": "Li5 V2 Fe5 O12",
"formula_reduced": "Li5V2Fe5O12",
"formula_anonymous": "A2B5C5D12",
"energy": -178.16762145,
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"updated_at": "2021-11-28T01:36:54.525000Z",
"spacegroup": 5
},
{
"id": "mp-773028",
"created_at": "2022-09-04T14:45:04.165388Z",
"structure_string": "Mn7 Cr12 O48\n1.0\n4.996148 0.000000 0.000000\n0.046173 10.288493 0.000000\n0.033849 0.025797 17.401139\nMn Cr O\n7 12 48\ndirect\n0.827235 0.752969 0.707911 Mn\n0.762236 0.060796 0.024791 Mn\n0.591501 0.747408 0.249373 Mn\n0.400282 0.249493 0.753556 Mn\n0.235791 0.062311 0.471393 Mn\n0.232725 0.437118 0.471605 Mn\n0.235931 0.563737 0.981411 Mn\n0.771330 0.750400 0.059251 Cr\n0.770538 0.025758 0.346490 Cr\n0.771645 0.474721 0.345950 Cr\n0.700670 0.524976 0.847352 Cr\n0.707139 0.978539 0.844570 Cr\n0.717708 0.248557 0.550173 Cr\n0.290804 0.751275 0.437349 Cr\n0.289195 0.480992 0.157266 Cr\n0.290517 0.022519 0.151286 Cr\n0.234995 0.526109 0.654563 Cr\n0.235862 0.972735 0.653869 Cr\n0.228602 0.242542 0.950144 Cr\n0.950656 0.223610 0.006862 O\n0.949047 0.610984 0.639339 O\n0.950870 0.888640 0.636808 O\n0.871070 0.627319 0.790161 O\n0.896283 0.881825 0.787211 O\n0.909834 0.119330 0.530356 O\n0.902572 0.377904 0.530676 O\n0.896880 0.009483 0.924106 O\n0.908793 0.492471 0.917771 O\n0.820614 0.749618 0.155951 O\n0.813149 0.620260 0.298845 O\n0.812966 0.883699 0.299273 O\n0.630575 0.117991 0.796184 O\n0.621012 0.387628 0.800609 O\n0.642128 0.249378 0.641390 O\n0.571159 0.498750 0.421956 O\n0.562986 0.002003 0.422526 O\n0.605821 0.888649 0.033819 O\n0.564577 0.632839 0.037986 O\n0.623742 0.124765 0.290699 O\n0.617554 0.376164 0.292162 O\n0.567025 0.104727 0.116880 O\n0.546867 0.397595 0.131573 O\n0.543362 0.749107 0.493664 O\n0.424245 0.246921 0.492307 O\n0.428176 0.600656 0.882617 O\n0.444910 0.901505 0.869003 O\n0.437919 0.620125 0.701330 O\n0.440150 0.877682 0.700467 O\n0.449630 0.122834 0.967623 O\n0.378727 0.380961 0.971520 O\n0.387753 0.009728 0.570279 O\n0.384458 0.488895 0.570786 O\n0.374553 0.752616 0.342324 O\n0.369204 0.623635 0.206582 O\n0.376910 0.884597 0.198025 O\n0.183336 0.112093 0.703003 O\n0.183538 0.386932 0.704756 O\n0.161286 0.242652 0.857417 O\n0.091303 0.513637 0.075780 O\n0.069553 0.991319 0.077834 O\n0.096820 0.622108 0.458447 O\n0.096206 0.885050 0.459674 O\n0.141679 0.117863 0.209261 O\n0.097623 0.393111 0.209740 O\n0.062798 0.101915 0.377911 O\n0.064502 0.398827 0.377503 O\n0.045255 0.735050 0.004232 O\n",
"nsites": 67,
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"elements": [
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"Cr",
"O"
],
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"density": 3.2979745648773324,
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"volume": 894.4678546419865,
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"formula_full": "Mn7 Cr12 O48",
"formula_reduced": "Mn7Cr12O48",
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"energy": -524.86213019,
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"spacegroup": 1
},
{
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{
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}