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{
"count": 146323,
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"results": [
{
"id": "mp-1661840",
"created_at": "2022-09-04T14:42:40.030574Z",
"structure_string": "Li8 V6 Sn6 Sb4 O32\n1.0\n3.154745 5.405862 0.025015\n-9.366665 5.349670 -0.023389\n0.039927 0.024316 10.267301\nLi V Sn Sb O\n8 6 6 4 32\ndirect\n0.509893 0.165664 0.891142 Li\n0.002489 0.663681 0.892985 Li\n0.988063 0.003794 0.991443 Li\n0.488141 0.504057 0.993809 Li\n0.994222 0.002421 0.497728 Li\n0.491494 0.502284 0.499021 Li\n0.494492 0.832870 0.398966 Li\n0.000819 0.335418 0.395722 Li\n0.746576 0.084903 0.216449 V\n0.245632 0.584349 0.216863 V\n0.250101 0.414364 0.718671 V\n0.743227 0.914935 0.712642 V\n0.498121 0.669508 0.717046 V\n0.001292 0.168502 0.712646 V\n0.499341 0.331345 0.215869 Sn\n0.001077 0.832364 0.214872 Sn\n0.252880 0.084453 0.215697 Sn\n0.751562 0.582839 0.215367 Sn\n0.247047 0.914288 0.716585 Sn\n0.756653 0.418663 0.714674 Sn\n0.507531 0.164418 0.500513 Sb\n0.994823 0.668324 0.496683 Sb\n0.503230 0.831802 0.991009 Sb\n0.004953 0.331932 0.992547 Sb\n0.497511 0.349305 0.604512 O\n0.986857 0.844946 0.600776 O\n0.268263 0.243650 0.334445 O\n0.775336 0.741286 0.343524 O\n0.497391 0.167295 0.103152 O\n0.994882 0.668106 0.104032 O\n0.499601 0.499447 0.318507 O\n0.000461 0.999955 0.317489 O\n0.997985 0.998270 0.813298 O\n0.502913 0.501157 0.815629 O\n0.229768 0.078251 0.603812 O\n0.722407 0.583466 0.601232 O\n0.732135 0.242112 0.325236 O\n0.228812 0.742446 0.326370 O\n0.503814 0.013565 0.327609 O\n0.000798 0.514137 0.325055 O\n0.230383 0.924002 0.095212 O\n0.730083 0.422428 0.095035 O\n0.775268 0.075047 0.609818 O\n0.286127 0.571876 0.622696 O\n0.505886 0.981560 0.830165 O\n0.014751 0.485950 0.829559 O\n0.275488 0.750624 0.830680 O\n0.782757 0.255953 0.828317 O\n0.487073 0.824246 0.608470 O\n0.013023 0.343350 0.608092 O\n0.768560 0.924469 0.106572 O\n0.269637 0.426199 0.106350 O\n0.713954 0.746525 0.819118 O\n0.241292 0.268520 0.819028 O\n0.496949 0.652397 0.108161 O\n0.996477 0.152581 0.104776 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"V",
"Sn",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb-Sn-V",
"density": 4.964872893416133,
"density_atomic": 0.08079069943328182,
"volume": 693.1490925665973,
"volume_molar": 7.454002505539856,
"formula_full": "Li8 V6 Sn6 Sb4 O32",
"formula_reduced": "Li4V3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -391.16130882,
"energy_per_atom": -6.985023371785714,
"energy_above_hull": null,
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"energy_uncorrected": -358.97730882,
"band_gap": 0.9413,
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"is_magnetic": true,
"total_magnetization": 9.9997771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.049000Z",
"spacegroup": 1
},
{
"id": "mp-756989",
"created_at": "2022-09-04T14:42:27.567282Z",
"structure_string": "Li4 Mn3 Fe3 Cu2 O16\n1.0\n5.875868 0.023255 0.035948\n-2.917842 5.053991 -0.000211\n0.056253 0.032021 9.575184\nLi Mn Fe Cu O\n4 3 3 2 16\ndirect\n0.338823 0.669463 0.895697 Li\n0.995987 0.997933 0.996609 Li\n0.000446 0.000156 0.495397 Li\n0.670098 0.335052 0.396179 Li\n0.657677 0.828871 0.213915 Mn\n0.829312 0.660365 0.713963 Mn\n0.829326 0.168960 0.713955 Mn\n0.166792 0.830200 0.212553 Fe\n0.166783 0.336676 0.212528 Fe\n0.335841 0.167926 0.712849 Fe\n0.326413 0.663195 0.487935 Cu\n0.661011 0.330532 0.988119 Cu\n0.157654 0.833672 0.603379 O\n0.041342 0.520714 0.340086 O\n0.344651 0.672350 0.103476 O\n0.986059 0.993101 0.309586 O\n0.986719 0.993378 0.810509 O\n0.157647 0.323915 0.603357 O\n0.487639 0.961750 0.337516 O\n0.487676 0.525959 0.337503 O\n0.326872 0.163462 0.101422 O\n0.683709 0.841838 0.605343 O\n0.527413 0.488320 0.835880 O\n0.527426 0.039160 0.835881 O\n0.680906 0.340451 0.606499 O\n0.831332 0.673150 0.103103 O\n0.963112 0.481566 0.831516 O\n0.831331 0.158187 0.103080 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-Mn-O",
"density": 4.330399866006193,
"density_atomic": 0.09825029039998506,
"volume": 284.98643501214787,
"volume_molar": 6.129387236906239,
"formula_full": "Li4 Mn3 Fe3 Cu2 O16",
"formula_reduced": "Li4Mn3Fe3(CuO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -195.08963277,
"energy_per_atom": -6.967486884642858,
"energy_above_hull": null,
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"energy_uncorrected": -172.32563277,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 18.999887,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.093000Z",
"spacegroup": 8
},
{
"id": "mp-1177280",
"created_at": "2022-09-04T14:42:24.524569Z",
"structure_string": "Li4 Ti3 Mn3 Sn2 O16\n1.0\n2.974053 5.346652 0.000000\n-2.974053 5.346652 0.000000\n0.000000 0.422715 9.838669\nLi Ti Mn Sn O\n4 3 3 2 16\ndirect\n0.660130 0.660130 0.104961 Li\n0.998017 0.998017 0.008793 Li\n0.004791 0.004791 0.507507 Li\n0.332235 0.332235 0.604553 Li\n0.168232 0.168232 0.281927 Ti\n0.340247 0.833785 0.785524 Ti\n0.833785 0.340247 0.785524 Ti\n0.830880 0.830880 0.786208 Mn\n0.167876 0.660091 0.287824 Mn\n0.660091 0.167876 0.287824 Mn\n0.670600 0.670600 0.508812 Sn\n0.334614 0.334614 0.010427 Sn\n0.335247 0.853597 0.399721 O\n0.518528 0.518528 0.665789 O\n0.650028 0.650028 0.894229 O\n0.011970 0.011970 0.692789 O\n0.000335 0.000335 0.196341 O\n0.853597 0.335247 0.399721 O\n0.499255 0.962426 0.656501 O\n0.962426 0.499255 0.656501 O\n0.165227 0.165227 0.894460 O\n0.846352 0.846352 0.405350 O\n0.028272 0.465858 0.155882 O\n0.465858 0.028272 0.155882 O\n0.330898 0.330898 0.387677 O\n0.175996 0.677897 0.903454 O\n0.476559 0.476559 0.164520 O\n0.677897 0.175996 0.903454 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn-Ti",
"density": 4.402662506472523,
"density_atomic": 0.08948722979896363,
"volume": 312.8938068918105,
"volume_molar": 6.729609100124075,
"formula_full": "Li4 Ti3 Mn3 Sn2 O16",
"formula_reduced": "Li4Ti3Mn3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -218.45096118,
"energy_per_atom": -7.801820042142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -202.45496118,
"band_gap": 0.4062999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0006216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.463000Z",
"spacegroup": 8
},
{
"id": "mp-761028",
"created_at": "2022-09-04T14:42:27.589400Z",
"structure_string": "Li8 Ti6 Cr6 Te4 O32\n1.0\n-2.993676 5.186102 -0.000207\n-9.212836 -5.319980 0.019294\n6.087857 0.057585 10.162596\nLi Ti Cr Te O\n8 6 6 4 32\ndirect\n0.450010 0.785571 0.899845 Li\n0.950027 0.285572 0.899881 Li\n0.995053 0.988865 0.990044 Li\n0.495005 0.488731 0.989967 Li\n0.245908 0.247679 0.491784 Li\n0.745897 0.747583 0.491757 Li\n0.701893 0.367579 0.403961 Li\n0.201858 0.867506 0.403870 Li\n0.862892 0.687203 0.725556 Ti\n0.362860 0.187148 0.725475 Ti\n0.363781 0.517181 0.223313 Ti\n0.863768 0.017115 0.223238 Ti\n0.859505 0.517298 0.223411 Ti\n0.359456 0.017225 0.223339 Ti\n0.105506 0.443409 0.712147 Cr\n0.605534 0.943380 0.712097 Cr\n0.606744 0.443398 0.712137 Cr\n0.106668 0.943380 0.712100 Cr\n0.105816 0.274256 0.212060 Cr\n0.605813 0.773973 0.211852 Cr\n0.250317 0.590819 0.500583 Te\n0.750256 0.090828 0.500437 Te\n0.997297 0.642698 0.994657 Te\n0.497287 0.142592 0.994641 Te\n0.168405 0.652023 0.336726 O\n0.668476 0.152046 0.336856 O\n0.057673 0.396484 0.115426 O\n0.557682 0.896362 0.115416 O\n0.154410 0.156255 0.308848 O\n0.654426 0.656285 0.308865 O\n0.902288 0.897965 0.804497 O\n0.402247 0.397876 0.804420 O\n0.557072 0.407529 0.114204 O\n0.057092 0.907549 0.114251 O\n0.300530 0.456061 0.600961 O\n0.800540 0.955871 0.600972 O\n0.805608 0.479476 0.611098 O\n0.305569 0.979425 0.611030 O\n0.919789 0.440801 0.839463 O\n0.419698 0.940626 0.839266 O\n0.555362 0.725403 0.600377 O\n0.055251 0.225459 0.600280 O\n0.045072 0.725416 0.600359 O\n0.545088 0.225459 0.600256 O\n0.415246 0.435813 0.334318 O\n0.914768 0.935523 0.334122 O\n0.918792 0.436044 0.334465 O\n0.419122 0.935735 0.334253 O\n0.142438 0.659235 0.820041 O\n0.642421 0.159166 0.819930 O\n0.677829 0.659217 0.820074 O\n0.177746 0.159163 0.819974 O\n0.791177 0.110585 0.089210 O\n0.291436 0.610809 0.089256 O\n0.298131 0.110478 0.089132 O\n0.797895 0.610707 0.089182 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Cr",
"Te",
"O"
],
"chemical_system": "Cr-Li-O-Te-Ti",
"density": 4.297544046096528,
"density_atomic": 0.08641787243186422,
"volume": 648.0141019920728,
"volume_molar": 6.968628815466535,
"formula_full": "Li8 Ti6 Cr6 Te4 O32",
"formula_reduced": "Li4Ti3Cr3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -432.22863492,
"energy_per_atom": -7.718368480714285,
"energy_above_hull": null,
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"energy_uncorrected": -398.25063492,
"band_gap": 0.3173000000000003,
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"is_magnetic": true,
"total_magnetization": 20.0012963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.901000Z",
"spacegroup": 8
},
{
"id": "mp-851349",
"created_at": "2022-09-04T14:42:27.755114Z",
"structure_string": "Li4 Fe3 Sn2 Sb3 O16\n1.0\n3.119600 5.411754 0.000000\n-3.119600 5.411754 0.000000\n0.000000 0.135269 9.934729\nLi Fe Sn Sb O\n4 3 2 3 16\ndirect\n0.662469 0.662469 0.112792 Li\n0.987460 0.987460 0.016313 Li\n0.994166 0.994166 0.499255 Li\n0.326350 0.326350 0.594393 Li\n0.830488 0.830488 0.785691 Fe\n0.175389 0.663596 0.287563 Fe\n0.663596 0.175389 0.287563 Fe\n0.678335 0.678335 0.498224 Sn\n0.343241 0.343241 0.020809 Sn\n0.337694 0.831710 0.784717 Sb\n0.831710 0.337694 0.784717 Sb\n0.173451 0.173451 0.285553 Sb\n0.329701 0.850994 0.406745 O\n0.516486 0.516486 0.661386 O\n0.662815 0.662815 0.893222 O\n0.001083 0.001083 0.686577 O\n0.013036 0.013036 0.195781 O\n0.850994 0.329701 0.406745 O\n0.513583 0.958547 0.661503 O\n0.958547 0.513583 0.661503 O\n0.161349 0.161349 0.896282 O\n0.842171 0.842171 0.404238 O\n0.032386 0.469754 0.154841 O\n0.469754 0.032386 0.154841 O\n0.321953 0.321953 0.397120 O\n0.165694 0.679523 0.898884 O\n0.483456 0.483456 0.155808 O\n0.679523 0.165694 0.898884 O\n",
"nsites": 28,
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"elements": [
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"Fe",
"Sn",
"Sb",
"O"
],
"chemical_system": "Fe-Li-O-Sb-Sn",
"density": 5.217498845001816,
"density_atomic": 0.08347089156463104,
"volume": 335.44627923759214,
"volume_molar": 7.21465968209659,
"formula_full": "Li4 Fe3 Sn2 Sb3 O16",
"formula_reduced": "Li4Fe3Sn2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -187.24618462,
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"energy_above_hull": null,
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"energy_uncorrected": -169.48618462,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:52.587000Z",
"spacegroup": 8
},
{
"id": "mp-774451",
"created_at": "2022-09-04T14:42:40.944828Z",
"structure_string": "Li4 Mn3 Fe2 Co3 O16\n1.0\n5.747322 -0.007308 -0.001802\n-2.879989 5.003847 0.001961\n-0.002702 0.002777 9.447513\nLi Mn Fe Co O\n4 3 2 3 16\ndirect\n0.334860 0.668045 0.892633 Li\n0.005094 0.000419 0.998158 Li\n0.009890 0.006181 0.496560 Li\n0.665245 0.329655 0.388355 Li\n0.660993 0.830026 0.215209 Mn\n0.830299 0.662094 0.714883 Mn\n0.830473 0.169364 0.715118 Mn\n0.326801 0.665182 0.490945 Fe\n0.662315 0.335057 0.993764 Fe\n0.168924 0.829540 0.214243 Co\n0.168647 0.336833 0.213115 Co\n0.339801 0.170443 0.714440 Co\n0.160017 0.836070 0.602031 O\n0.036447 0.513389 0.328560 O\n0.332610 0.665989 0.108763 O\n0.001437 0.000163 0.309138 O\n0.001116 0.000505 0.811070 O\n0.159725 0.324894 0.601852 O\n0.481175 0.962267 0.335550 O\n0.477318 0.512795 0.332981 O\n0.320097 0.165163 0.107507 O\n0.676980 0.838912 0.601762 O\n0.517569 0.482547 0.835292 O\n0.518823 0.036268 0.836591 O\n0.667760 0.334662 0.607210 O\n0.837149 0.677401 0.102505 O\n0.965723 0.482946 0.834878 O\n0.842712 0.163490 0.104726 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-Mn-O",
"density": 4.507978143346191,
"density_atomic": 0.10313094577741637,
"volume": 271.499497933737,
"volume_molar": 5.8393149743796195,
"formula_full": "Li4 Mn3 Fe2 Co3 O16",
"formula_reduced": "Li4Mn3Fe2Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -201.41945264,
"energy_per_atom": -7.19355188,
"energy_above_hull": null,
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"energy_uncorrected": -175.99745264,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.0,
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"updated_at": "2021-11-28T01:35:48.247000Z",
"spacegroup": 8
},
{
"id": "mp-774751",
"created_at": "2022-09-04T14:42:41.221397Z",
"structure_string": "Li8 Ti4 Nb6 Ni6 O32\n1.0\n-2.991039 5.180669 0.000022\n-0.068901 -0.039721 9.788582\n9.107585 5.258368 -0.085200\nLi Ti Nb Ni O\n8 4 6 6 32\ndirect\n0.500005 0.894895 0.165788 Li\n0.000005 0.894889 0.665784 Li\n0.499954 0.984001 0.485094 Li\n0.999955 0.984010 0.985129 Li\n0.500005 0.501097 0.491713 Li\n0.000002 0.501102 0.991719 Li\n0.000019 0.404899 0.334796 Li\n0.500019 0.404911 0.834799 Li\n0.500030 0.507764 0.169697 Ti\n0.000029 0.507754 0.669704 Ti\n0.999963 0.981689 0.358306 Ti\n0.499960 0.981710 0.858262 Ti\n0.000053 0.727544 0.177802 Nb\n0.500054 0.727525 0.677784 Nb\n0.748646 0.217884 0.091241 Nb\n0.248640 0.217891 0.591233 Nb\n0.251334 0.217879 0.091242 Nb\n0.751339 0.217884 0.591232 Nb\n0.244902 0.707728 0.415300 Ni\n0.744867 0.707784 0.915304 Ni\n0.755248 0.707699 0.415270 Ni\n0.255279 0.707746 0.915269 Ni\n0.999952 0.207997 0.829936 Ni\n0.499956 0.208013 0.329967 Ni\n0.499992 0.342264 0.014486 O\n0.999991 0.342249 0.514455 O\n0.499991 0.095140 0.163712 O\n0.999990 0.095125 0.663702 O\n0.499988 0.314406 0.494093 O\n0.999988 0.314384 0.994071 O\n0.000101 0.799765 0.004124 O\n0.500099 0.799763 0.504109 O\n0.999988 0.095075 0.164831 O\n0.499988 0.095072 0.664835 O\n0.500023 0.589734 0.326541 O\n0.000021 0.589743 0.826535 O\n0.000088 0.601653 0.322601 O\n0.500090 0.601667 0.822607 O\n0.000018 0.850769 0.478717 O\n0.500016 0.850794 0.978718 O\n0.745900 0.594437 0.090738 O\n0.245921 0.594410 0.590712 O\n0.254165 0.594445 0.090738 O\n0.754146 0.594421 0.590713 O\n0.725715 0.341973 0.234243 O\n0.225702 0.341995 0.734224 O\n0.274279 0.341976 0.234236 O\n0.774288 0.341998 0.734216 O\n0.220793 0.848755 0.256168 O\n0.720785 0.848749 0.756146 O\n0.779231 0.848736 0.256146 O\n0.279238 0.848729 0.756124 O\n0.243573 0.093810 0.421262 O\n0.743577 0.093779 0.921280 O\n0.756351 0.093800 0.421266 O\n0.256346 0.093770 0.921284 O\n",
"nsites": 56,
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"elements": [
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"Ti",
"Nb",
"Ni",
"O"
],
"chemical_system": "Li-Nb-Ni-O-Ti",
"density": 4.499607548624393,
"density_atomic": 0.09094267175666378,
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