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{
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"results": [
{
"id": "mp-1175950",
"created_at": "2022-09-04T14:45:11.178052Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.146452 0.000000 0.000000\n-0.868179 7.632443 0.000000\n-2.559943 -0.805190 7.283205\nLi Mn Co O\n9 2 5 16\ndirect\n0.562829 0.190814 0.061626 Li\n0.939155 0.321811 0.442884 Li\n0.319821 0.437566 0.807417 Li\n0.681258 0.557707 0.193099 Li\n0.078170 0.683112 0.564618 Li\n0.435269 0.809332 0.933117 Li\n0.813264 0.939466 0.317043 Li\n0.176112 0.059251 0.682848 Li\n0.498815 0.504355 0.500021 Li\n0.001924 0.997876 0.996943 Mn\n0.247776 0.749018 0.252659 Mn\n0.376116 0.131588 0.377865 Co\n0.738476 0.254448 0.744558 Co\n0.123283 0.377644 0.131335 Co\n0.874575 0.617386 0.861650 Co\n0.626223 0.872470 0.623767 Co\n0.131074 0.208798 0.910334 O\n0.498088 0.329790 0.277794 O\n0.918932 0.472309 0.673005 O\n0.276698 0.599074 0.050325 O\n0.617003 0.731710 0.401811 O\n0.037041 0.851219 0.797256 O\n0.371953 0.961782 0.153807 O\n0.758196 0.084321 0.537058 O\n0.974168 0.148143 0.204272 O\n0.367098 0.270940 0.603465 O\n0.739432 0.407700 0.970292 O\n0.094240 0.543171 0.332031 O\n0.500816 0.673539 0.718082 O\n0.875670 0.784378 0.086296 O\n0.214940 0.906103 0.447405 O\n0.631585 0.023176 0.845313 O\n",
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"elements": [
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"O"
],
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"volume": 286.0843036324209,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"energy": -208.80488687,
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"updated_at": "2021-11-28T01:36:48.540000Z",
"spacegroup": 1
},
{
"id": "mp-29108",
"created_at": "2022-09-04T14:48:20.686712Z",
"structure_string": "Mn2 As4 F24\n1.0\n-3.839655 3.839655 7.802984\n3.839655 -3.839655 7.802984\n3.839655 3.839655 -7.802984\nMn As F\n2 4 24\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.778948 0.778948 0.000000 As\n0.221052 0.221052 0.000000 As\n0.971052 0.471052 0.500000 As\n0.528948 0.028948 0.500000 As\n0.865980 0.741019 0.198564 F\n0.542454 0.667416 0.801436 F\n0.417416 0.792454 0.301436 F\n0.332584 0.134020 0.875039 F\n0.258981 0.457546 0.124961 F\n0.207546 0.508981 0.624961 F\n0.648342 0.266575 0.685805 F\n0.733425 0.419230 0.381767 F\n0.037464 0.351658 0.618233 F\n0.101658 0.287464 0.118233 F\n0.169230 0.983425 0.881767 F\n0.580770 0.962536 0.314195 F\n0.712536 0.830770 0.814195 F\n0.016575 0.898342 0.185805 F\n0.300845 0.085153 0.322688 F\n0.914847 0.237535 0.215692 F\n0.021843 0.699155 0.784308 F\n0.449155 0.271843 0.284308 F\n0.987535 0.164847 0.715692 F\n0.762465 0.978157 0.677312 F\n0.728157 0.012465 0.177312 F\n0.835153 0.550845 0.822688 F\n0.491019 0.115980 0.698564 F\n0.884020 0.582584 0.375039 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"As",
"F"
],
"chemical_system": "As-F-Mn",
"density": 3.1233681717597763,
"density_atomic": 0.06519527762586794,
"volume": 460.1560280509751,
"volume_molar": 9.237081241618268,
"formula_full": "Mn2 As4 F24",
"formula_reduced": "MnAs2F12",
"formula_anonymous": "AB2C12",
"energy": -159.29893678000002,
"energy_per_atom": -5.309964559333334,
"energy_above_hull": null,
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"energy_uncorrected": -144.87493678,
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"updated_at": "2021-11-28T01:38:52.811000Z",
"spacegroup": 122
},
{
"id": "mp-777395",
"created_at": "2022-09-04T14:45:02.271404Z",
"structure_string": "Li4 Mn1 V3 P8 O28\n1.0\n4.854795 -8.286774 0.044592\n4.897866 8.312494 -0.041018\n-2.272992 -0.040697 6.682003\nLi Mn V P O\n4 1 3 8 28\ndirect\n0.158930 0.019605 0.675045 Li\n0.730634 0.090238 0.326800 Li\n0.232850 0.592752 0.328026 Li\n0.655680 0.516610 0.671417 Li\n0.393193 0.391757 0.267114 Mn\n0.856641 0.356119 0.726989 V\n0.357944 0.857165 0.727701 V\n0.893455 0.893052 0.272471 V\n0.111388 0.290581 0.522309 P\n0.751255 0.035396 0.914439 P\n0.249284 0.537687 0.912216 P\n0.460178 0.141392 0.482147 P\n0.610811 0.788998 0.522272 P\n0.714798 0.499048 0.087381 P\n0.216776 0.000176 0.088689 P\n0.959644 0.640628 0.477539 P\n0.075114 0.113085 0.483551 O\n0.358312 0.033657 0.604462 O\n0.583100 0.015918 0.916280 O\n0.080225 0.517637 0.909664 O\n0.220958 0.375634 0.753104 O\n0.376862 0.032370 0.249226 O\n0.234457 0.167205 0.085643 O\n0.212466 0.388325 0.391529 O\n0.455367 0.298204 0.504777 O\n0.136852 0.676005 0.515105 O\n0.636808 0.174111 0.517824 O\n0.861745 0.187349 0.852470 O\n0.359544 0.685830 0.843733 O\n0.219606 0.914591 0.888031 O\n0.721412 0.417684 0.887265 O\n0.331963 0.538663 0.113835 O\n0.833753 0.030748 0.113538 O\n0.063994 0.888967 0.150273 O\n0.559145 0.383219 0.142871 O\n0.575443 0.611466 0.479686 O\n0.453670 0.795123 0.507242 O\n0.952738 0.294659 0.506317 O\n0.859034 0.536887 0.603734 O\n0.722524 0.874448 0.752129 O\n0.874516 0.528277 0.247096 O\n0.732502 0.666120 0.088519 O\n0.714294 0.890152 0.396044 O\n0.954560 0.798051 0.493496 O\n",
"nsites": 44,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.858975018041306,
"density_atomic": 0.08134379137431841,
"volume": 540.9140544915826,
"volume_molar": 7.403319489115047,
"formula_full": "Li4 Mn1 V3 P8 O28",
"formula_reduced": "Li4MnV3(P2O7)4",
"formula_anonymous": "AB3C4D8E28",
"energy": -344.36967955,
"energy_per_atom": -7.8265836261363635,
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"updated_at": "2021-11-28T01:36:49.199000Z",
"spacegroup": 1
},
{
"id": "mp-1174535",
"created_at": "2022-09-04T14:44:54.818205Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.133778 0.000000 0.000000\n1.857816 5.574610 0.000000\n1.859808 1.111249 7.363506\nLi Mn Co O\n7 2 3 12\ndirect\n0.501049 0.333986 0.656564 Li\n0.496435 0.171127 0.342654 Li\n0.500000 0.000000 0.000000 Li\n0.503565 0.828873 0.657346 Li\n0.498951 0.666014 0.343436 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.996900 0.661995 0.829111 Mn\n0.003100 0.338005 0.170889 Mn\n0.000130 0.167031 0.829949 Co\n0.000000 0.000000 0.500000 Co\n0.999870 0.832969 0.170051 Co\n0.216094 0.154578 0.596185 O\n0.247173 0.026720 0.247400 O\n0.199230 0.836011 0.919751 O\n0.239346 0.668643 0.599874 O\n0.214529 0.509012 0.238830 O\n0.234616 0.352176 0.924948 O\n0.785471 0.490988 0.761170 O\n0.760654 0.331357 0.400126 O\n0.800770 0.163989 0.080249 O\n0.752827 0.973280 0.752600 O\n0.783906 0.845422 0.403815 O\n0.765384 0.647824 0.075052 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
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"density": 4.1546455333785435,
"density_atomic": 0.11388722805493347,
"volume": 210.7347804481079,
"volume_molar": 5.287810462025841,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
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"updated_at": "2021-11-28T01:36:41.508000Z",
"spacegroup": 2
},
{
"id": "mp-1176229",
"created_at": "2022-09-04T14:40:29.493080Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.017442 0.000000 0.000000\n-1.585118 4.844669 0.000000\n-0.373477 -0.359324 11.861531\nLi Mn Co O\n9 2 5 16\ndirect\n0.999598 0.502721 0.130932 Li\n0.496858 0.495712 0.251679 Li\n0.002641 0.499406 0.368246 Li\n0.502981 0.504783 0.497393 Li\n0.000780 0.498587 0.624913 Li\n0.502300 0.500169 0.750340 Li\n0.997660 0.498894 0.875056 Li\n0.491948 0.495851 0.003049 Li\n0.003677 0.004619 0.247538 Li\n0.995614 0.994017 0.002356 Mn\n0.499986 0.003275 0.626057 Mn\n0.503976 0.000807 0.130831 Co\n0.510186 0.009204 0.367537 Co\n0.007553 0.003268 0.496364 Co\n0.998495 0.997413 0.750114 Co\n0.494297 0.991531 0.877031 Co\n0.231429 0.764354 0.004975 O\n0.756630 0.779203 0.111641 O\n0.284428 0.771363 0.253663 O\n0.730106 0.781572 0.378571 O\n0.244088 0.768697 0.508062 O\n0.755589 0.774746 0.629336 O\n0.257361 0.762711 0.763131 O\n0.751261 0.774632 0.877235 O\n0.734977 0.250122 0.246640 O\n0.273252 0.219319 0.379202 O\n0.762767 0.233445 0.489454 O\n0.250739 0.231214 0.628344 O\n0.743589 0.236313 0.744425 O\n0.229853 0.208457 0.879885 O\n0.741476 0.216220 0.991927 O\n0.243905 0.227375 0.114069 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 4.163907328718944,
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"volume": 288.3282655118305,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"spacegroup": 1
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{
"id": "mp-775103",
"created_at": "2022-09-04T14:47:12.928595Z",
"structure_string": "V8 O6 F18\n1.0\n5.272351 0.000000 0.000000\n-2.623264 -4.729621 0.000000\n-2.489706 1.119950 -17.319572\nV O F\n8 6 18\ndirect\n0.754877 0.379395 0.124974 V\n0.737547 0.892420 0.629960 V\n0.523739 0.731815 0.249431 V\n0.495947 0.241595 0.750109 V\n0.216444 0.095286 0.372770 V\n0.251584 0.654844 0.871297 V\n0.991210 0.027054 0.001332 V\n0.969036 0.468996 0.504464 V\n0.799041 0.193523 0.558600 O\n0.853191 0.205974 0.041506 O\n0.858819 0.914878 0.333138 O\n0.652009 0.548257 0.207669 O\n0.665937 0.046864 0.700922 O\n0.299322 0.923900 0.814908 O\n0.338011 0.162919 0.082539 F\n0.792358 0.688550 0.060423 F\n0.716241 0.068431 0.188890 F\n0.355884 0.959612 0.293245 F\n0.324907 0.662588 0.583537 F\n0.321243 0.450885 0.791136 F\n0.169798 0.596371 0.168056 F\n0.165069 0.085144 0.664081 F\n0.171269 0.289786 0.459216 F\n0.290440 0.437500 0.315340 F\n0.715962 0.571865 0.687855 F\n0.822861 0.708365 0.542614 F\n0.828317 0.415514 0.836354 F\n0.167813 0.798120 0.960504 F\n0.655521 0.325383 0.415007 F\n0.215971 0.323205 0.934424 F\n0.205370 0.799509 0.441062 F\n0.674257 0.831452 0.914632 F\n",
"nsites": 32,
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"elements": [
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],
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"volume": 431.88469249235783,
"volume_molar": 8.127720032119669,
"formula_full": "V8 O6 F18",
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"formula_anonymous": "A3B4C9",
"energy": -231.37874268,
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"spacegroup": 1
},
{
"id": "mp-1174732",
"created_at": "2022-09-04T14:43:04.536398Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.970050 0.000000 0.000000\n1.475932 6.300942 0.000000\n0.713989 1.299102 13.523727\nLi Mn Co O\n8 2 4 14\ndirect\n0.151944 0.931242 0.784606 Li\n0.994387 0.502917 0.500817 Li\n0.848294 0.077271 0.216435 Li\n0.559954 0.222801 0.642828 Li\n0.429465 0.778926 0.357351 Li\n0.298969 0.356073 0.064768 Li\n0.722689 0.627600 0.926869 Li\n0.406384 0.293957 0.862451 Li\n0.998170 0.012558 0.996140 Mn\n0.706619 0.141139 0.428086 Mn\n0.855622 0.562180 0.720998 Co\n0.591206 0.709084 0.141030 Co\n0.279268 0.853105 0.573854 Co\n0.152723 0.426291 0.284341 Co\n0.544037 0.967773 0.907004 O\n0.450032 0.553229 0.610664 O\n0.304838 0.120077 0.321760 O\n0.988304 0.284363 0.743396 O\n0.832507 0.833985 0.467427 O\n0.750661 0.399065 0.186143 O\n0.153545 0.692985 0.042139 O\n0.731019 0.868462 0.678408 O\n0.539446 0.450873 0.389062 O\n0.466346 0.027642 0.094118 O\n0.107260 0.161507 0.535764 O\n0.014143 0.734669 0.243194 O\n0.860977 0.301877 0.967612 O\n0.261189 0.608350 0.812734 O\n",
"nsites": 28,
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"elements": [
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"Co",
"O"
],
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"volume": 253.08455237994949,
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
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"energy": -182.45159922,
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"spacegroup": 1
},
{
"id": "mp-1174943",
"created_at": "2022-09-04T14:43:10.587846Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.893785 0.000000 0.000000\n-0.216284 5.904064 0.000000\n-1.451264 -1.519288 6.075483\nLi Mn Co O\n7 2 3 12\ndirect\n0.994312 0.502404 0.005127 Li\n0.335677 0.830695 0.335579 Li\n0.154001 0.175193 0.659251 Li\n0.509911 0.491865 0.001352 Li\n0.673550 0.168391 0.658908 Li\n0.834196 0.833913 0.338466 Li\n0.831433 0.336006 0.334752 Li\n0.993790 0.007619 0.998637 Mn\n0.332878 0.333976 0.336489 Mn\n0.673676 0.661482 0.667074 Co\n0.501004 0.000352 0.001465 Co\n0.165112 0.664329 0.664835 Co\n0.767235 0.757320 0.992950 O\n0.089343 0.088457 0.314834 O\n0.916618 0.456112 0.667246 O\n0.236859 0.784275 0.984747 O\n0.418596 0.397833 0.651093 O\n0.556298 0.096239 0.310843 O\n0.231613 0.253974 0.015243 O\n0.571675 0.571239 0.344077 O\n0.431927 0.875985 0.685806 O\n0.749967 0.214864 0.996653 O\n0.920067 0.929619 0.680507 O\n0.110264 0.567857 0.354067 O\n",
"nsites": 24,
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],
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"formula_full": "Li7 Mn2 Co3 O12",
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"energy": -158.25078151,
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{
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"formula_full": "Ge2 N4 F10",
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{
"id": "mp-1176011",
"created_at": "2022-09-04T14:42:09.828290Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.129072 0.000000 0.000000\n0.050469 5.881485 0.000000\n1.890107 0.254982 9.542657\nLi Mn Co O\n9 2 5 16\ndirect\n0.499453 0.254019 0.994597 Li\n0.257468 0.504839 0.254762 Li\n0.497679 0.744734 0.997822 Li\n0.253828 0.997676 0.262863 Li\n0.745646 0.002092 0.741565 Li\n0.750837 0.491305 0.739663 Li\n0.991399 0.765456 0.507739 Li\n0.004314 0.238956 0.501692 Li\n0.505922 0.000615 0.499936 Li\n0.999749 0.998512 0.000923 Mn\n0.749277 0.247547 0.253647 Mn\n0.500227 0.500008 0.498870 Co\n0.259041 0.756273 0.739872 Co\n0.993787 0.498964 0.999854 Co\n0.755974 0.754054 0.254393 Co\n0.250306 0.247169 0.743290 Co\n0.345296 0.998082 0.882684 O\n0.096918 0.244708 0.114220 O\n0.331745 0.502190 0.877379 O\n0.098107 0.765255 0.128280 O\n0.609725 0.735972 0.628359 O\n0.597222 0.260536 0.626508 O\n0.864140 0.490483 0.357574 O\n0.873782 0.017886 0.365920 O\n0.653835 0.486398 0.122398 O\n0.416231 0.735542 0.368486 O\n0.653870 0.005803 0.135033 O\n0.407784 0.255772 0.365561 O\n0.888987 0.231630 0.879957 O\n0.888447 0.758979 0.894801 O\n0.125779 0.999421 0.635622 O\n0.133226 0.509124 0.625731 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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