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{
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"results": [
{
"id": "mp-756697",
"created_at": "2022-09-04T14:42:52.144778Z",
"structure_string": "Li2 V3 Fe1 O8\n1.0\n2.009406 6.022668 0.000000\n-2.009406 6.022668 0.000000\n0.000000 1.884384 6.192239\nLi V Fe O\n2 3 1 8\ndirect\n0.939737 0.939737 0.339949 Li\n0.058593 0.058593 0.643079 Li\n0.711114 0.711114 0.708040 V\n0.609208 0.609208 0.297841 V\n0.387996 0.387996 0.724336 V\n0.285404 0.285404 0.311975 Fe\n0.880485 0.880485 0.671380 O\n0.762270 0.762270 0.354883 O\n0.654061 0.654061 0.986971 O\n0.560311 0.560311 0.640152 O\n0.451480 0.451480 0.352315 O\n0.352020 0.352020 0.993461 O\n0.232625 0.232625 0.657889 O\n0.114699 0.114699 0.317729 O\n",
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"elements": [
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],
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"volume": 149.87676965406874,
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"formula_full": "Li2 V3 Fe1 O8",
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"formula_anonymous": "AB2C3D8",
"energy": -110.7077077,
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"updated_at": "2021-11-28T01:35:59.665000Z",
"spacegroup": 8
},
{
"id": "mp-756696",
"created_at": "2022-09-04T14:47:11.160927Z",
"structure_string": "Mg2 Mn3 O8\n1.0\n0.073929 4.219180 4.219180\n4.219180 0.073929 4.219180\n4.219180 4.219180 0.073929\nMg Mn O\n2 3 8\ndirect\n0.119211 0.119211 0.119211 Mg\n0.499930 0.499930 0.499930 Mg\n0.502027 0.993329 0.502027 Mn\n0.502027 0.502027 0.993329 Mn\n0.993329 0.502027 0.502027 Mn\n0.261231 0.261231 0.261231 O\n0.710150 0.255719 0.255719 O\n0.255719 0.255719 0.710150 O\n0.255719 0.710150 0.255719 O\n0.747005 0.747005 0.296817 O\n0.747005 0.296817 0.747005 O\n0.296817 0.747005 0.747005 O\n0.734829 0.734829 0.734829 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Mn",
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],
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"density": 3.876048335467963,
"density_atomic": 0.08887821564020032,
"volume": 146.267562938336,
"volume_molar": 6.775721943360144,
"formula_full": "Mg2 Mn3 O8",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy": -98.97569459,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.878000Z",
"spacegroup": 160
},
{
"id": "mp-756694",
"created_at": "2022-09-04T14:47:23.481778Z",
"structure_string": "Li6 Ti2 Ni8 O16\n1.0\n-1.691893 5.653849 -0.000171\n-3.461756 -1.036165 -7.587246\n-5.132669 -1.536769 2.516824\nLi Ti Ni O\n6 2 8 16\ndirect\n0.500000 0.499995 0.000001 Li\n0.000000 0.000004 0.500000 Li\n0.250048 0.250312 0.249924 Li\n0.749952 0.749686 0.750078 Li\n0.250049 0.749690 0.750081 Li\n0.749951 0.250309 0.249921 Li\n0.000000 0.499994 0.499998 Ti\n0.500000 0.000003 0.000003 Ti\n0.499999 0.500000 0.499999 Ni\n0.000000 0.499997 0.000000 Ni\n0.500000 0.000000 0.499999 Ni\n0.000000 0.999999 0.000000 Ni\n0.249916 0.250716 0.749772 Ni\n0.750082 0.749305 0.250227 Ni\n0.750087 0.250718 0.749766 Ni\n0.249916 0.749303 0.250229 Ni\n0.499986 0.762260 0.010487 O\n0.999994 0.261561 0.510397 O\n0.000006 0.738428 0.489591 O\n0.500013 0.237740 0.989525 O\n0.500085 0.249779 0.518386 O\n0.000088 0.750695 0.018498 O\n0.999912 0.249295 0.981516 O\n0.499915 0.750217 0.481601 O\n0.738229 0.998513 0.762008 O\n0.238043 0.498664 0.262038 O\n0.261807 0.998520 0.762039 O\n0.761961 0.498655 0.262048 O\n0.238040 0.501341 0.737954 O\n0.738191 0.001481 0.237960 O\n0.761956 0.501332 0.737964 O\n0.261773 0.001488 0.237991 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 4.8808748353731675,
"density_atomic": 0.10900068437854736,
"volume": 293.5761383742099,
"volume_molar": 5.52486509083353,
"formula_full": "Li6 Ti2 Ni8 O16",
"formula_reduced": "Li3Ti(NiO2)4",
"formula_anonymous": "AB3C4D8",
"energy": -214.17090473,
"energy_per_atom": -6.6928407728125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:08.152000Z",
"spacegroup": 12
},
{
"id": "mp-756693",
"created_at": "2022-09-04T14:42:03.152396Z",
"structure_string": "Fe13 O15\n1.0\n5.304176 0.000000 0.000000\n0.756947 6.841792 0.000000\n2.490520 2.446247 8.368223\nFe O\n13 15\ndirect\n0.252466 0.598327 0.438244 Fe\n0.607663 0.586690 0.099106 Fe\n0.802930 0.789975 0.294219 Fe\n0.117293 0.774286 0.975341 Fe\n0.460404 0.793074 0.637365 Fe\n0.000000 0.000000 0.500000 Fe\n0.882707 0.225714 0.024659 Fe\n0.318036 0.018721 0.170616 Fe\n0.539596 0.206926 0.362635 Fe\n0.681964 0.981279 0.829384 Fe\n0.197070 0.210025 0.705781 Fe\n0.392337 0.413310 0.900894 Fe\n0.747534 0.401673 0.561756 Fe\n0.520277 0.716936 0.870826 O\n0.720835 0.904685 0.067084 O\n0.848376 0.717535 0.515215 O\n0.071657 0.925101 0.735284 O\n0.198393 0.733332 0.205325 O\n0.412450 0.909484 0.389637 O\n0.587550 0.090516 0.610363 O\n0.279165 0.095315 0.932916 O\n0.928343 0.074899 0.264716 O\n0.479723 0.283064 0.129174 O\n0.650655 0.512315 0.336170 O\n0.801607 0.266668 0.794675 O\n0.151624 0.282465 0.484785 O\n0.349345 0.487685 0.663830 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.281951338778727,
"density_atomic": 0.09220128915174636,
"volume": 303.6833894363142,
"volume_molar": 6.531514705926362,
"formula_full": "Fe13 O15",
"formula_reduced": "Fe13O15",
"formula_anonymous": "A13B15",
"energy": -225.92471347,
"energy_per_atom": -8.068739766785715,
"energy_above_hull": null,
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"band_gap": 0.9051,
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"total_magnetization": 55.9998537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.925000Z",
"spacegroup": 2
},
{
"id": "mp-756692",
"created_at": "2022-09-04T14:45:24.808768Z",
"structure_string": "Li3 Cr1 Fe2 O6\n1.0\n1.491627 6.518606 0.000000\n-1.491627 6.518606 0.000000\n0.000000 1.405185 5.819203\nLi Cr Fe O\n3 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.665759 0.665759 0.666154 Li\n0.334241 0.334241 0.333846 Li\n0.000000 0.000000 0.500000 Cr\n0.666687 0.666687 0.167096 Fe\n0.333313 0.333313 0.832904 Fe\n0.160960 0.160960 0.404910 O\n0.828778 0.828778 0.071741 O\n0.839040 0.839040 0.595090 O\n0.494933 0.494933 0.734830 O\n0.505067 0.505067 0.265170 O\n0.171222 0.171222 0.928259 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.116062942105646,
"density_atomic": 0.10604074610849042,
"volume": 113.16404722127082,
"volume_molar": 5.679081844481497,
"formula_full": "Li3 Cr1 Fe2 O6",
"formula_reduced": "Li3Cr(FeO3)2",
"formula_anonymous": "AB2C3D6",
"energy": -87.14752131,
"energy_per_atom": -7.2622934425,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:02.172000Z",
"spacegroup": 12
},
{
"id": "mp-756691",
"created_at": "2022-09-04T14:41:17.153587Z",
"structure_string": "Li12 Co2 Ni2 P4 C4 O28\n1.0\n0.444944 4.973049 6.434921\n-0.444921 -4.973064 6.434936\n7.979106 -4.874334 0.000023\nLi Co Ni P C O\n12 2 2 4 4 28\ndirect\n0.571529 0.678481 0.104099 Li\n0.071404 0.178586 0.103984 Li\n0.928652 0.821287 0.895590 Li\n0.428717 0.321340 0.895586 Li\n0.277993 0.739338 0.274412 Li\n0.777974 0.239323 0.274474 Li\n0.510663 0.972002 0.274416 Li\n0.010676 0.472033 0.274476 Li\n0.987945 0.527089 0.726513 Li\n0.487828 0.027072 0.726477 Li\n0.222926 0.762150 0.726469 Li\n0.722925 0.262054 0.726521 Li\n0.064445 0.185550 0.667073 Co\n0.564496 0.685502 0.666991 Co\n0.937343 0.812738 0.331957 Ni\n0.437270 0.312668 0.331930 Ni\n0.695461 0.554542 0.411555 P\n0.195446 0.054556 0.411525 P\n0.802348 0.947671 0.586234 P\n0.302328 0.447652 0.586229 P\n0.738514 0.011444 0.041803 C\n0.238557 0.511489 0.041800 C\n0.763312 0.486684 0.960379 C\n0.263334 0.986665 0.960328 C\n0.878003 0.871934 0.071105 O\n0.378065 0.371996 0.071099 O\n0.370118 0.879880 0.104362 O\n0.870073 0.379930 0.104419 O\n0.708723 0.041263 0.164699 O\n0.208747 0.541278 0.164699 O\n0.666560 0.083438 0.421091 O\n0.166560 0.583446 0.421092 O\n0.548776 0.701224 0.433067 O\n0.048783 0.201214 0.433085 O\n0.947881 0.802199 0.562669 O\n0.447801 0.302126 0.562661 O\n0.830226 0.419775 0.577734 O\n0.330235 0.919758 0.577649 O\n0.794000 0.455987 0.837835 O\n0.293957 0.956068 0.837734 O\n0.131499 0.618563 0.897719 O\n0.631441 0.118499 0.897720 O\n0.623941 0.626062 0.930589 O\n0.123950 0.126020 0.930594 O\n0.601830 0.460479 0.306401 O\n0.101784 0.960549 0.306302 O\n0.789521 0.648179 0.306403 O\n0.289457 0.148215 0.306304 O\n0.897576 0.039599 0.693039 O\n0.397575 0.539562 0.693039 O\n0.710437 0.852421 0.693038 O\n0.210401 0.352419 0.693035 O\n",
"nsites": 52,
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"elements": [
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"Ni",
"P",
"C",
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],
"chemical_system": "C-Co-Li-Ni-O-P",
"density": 2.893382747394738,
"density_atomic": 0.0965475995670483,
"volume": 538.5944366632147,
"volume_molar": 6.237483673343814,
"formula_full": "Li12 Co2 Ni2 P4 C4 O28",
"formula_reduced": "Li6CoNiP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy": -365.18043531,
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"updated_at": "2021-11-28T01:35:15.975000Z",
"spacegroup": 6
},
{
"id": "mp-756690",
"created_at": "2022-09-04T14:45:12.373367Z",
"structure_string": "Eu2 Ag2 O4\n1.0\n1.835005 -3.178321 0.000000\n1.835005 3.178321 0.000000\n0.000000 0.000000 12.444795\nEu Ag O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.084670 O\n0.333333 0.666667 0.415330 O\n0.666667 0.333333 0.584670 O\n0.666667 0.333333 0.915330 O\n",
"nsites": 8,
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"elements": [
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"Ag",
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],
"chemical_system": "Ag-Eu-O",
"density": 6.67663699371094,
"density_atomic": 0.055110865937402706,
"volume": 145.16193610687853,
"volume_molar": 10.927320152871863,
"formula_full": "Eu2 Ag2 O4",
"formula_reduced": "EuAgO2",
"formula_anonymous": "ABC2",
"energy": -63.03875791,
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"updated_at": "2021-11-28T01:36:48.746000Z",
"spacegroup": 194
},
{
"id": "mp-756689",
"created_at": "2022-09-04T14:46:18.039155Z",
"structure_string": "La4 Sb2 O12\n1.0\n6.256057 0.000000 0.000000\n0.000000 5.808356 0.000000\n0.000000 4.998797 8.035783\nLa Sb O\n4 2 12\ndirect\n0.581621 0.207420 0.256332 La\n0.081621 0.792580 0.243668 La\n0.918379 0.207420 0.756332 La\n0.418379 0.792580 0.743668 La\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.064601 0.576934 0.773431 O\n0.273720 0.280699 0.077627 O\n0.345152 0.840787 0.442223 O\n0.845152 0.159213 0.057777 O\n0.773720 0.719301 0.422373 O\n0.564601 0.423066 0.726569 O\n0.435399 0.576934 0.273431 O\n0.226280 0.280699 0.577627 O\n0.154848 0.840787 0.942223 O\n0.654848 0.159213 0.557777 O\n0.726280 0.719301 0.922373 O\n0.935399 0.423066 0.226569 O\n",
"nsites": 18,
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"elements": [
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"Sb",
"O"
],
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"density": 5.636371958894225,
"density_atomic": 0.06164393882679425,
"volume": 291.9995111048305,
"volume_molar": 9.769234209580404,
"formula_full": "La4 Sb2 O12",
"formula_reduced": "La2SbO6",
"formula_anonymous": "AB2C6",
"energy": -139.54120571,
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"updated_at": "2021-11-28T01:37:25.458000Z",
"spacegroup": 14
},
{
"id": "mp-756688",
"created_at": "2022-09-04T14:47:08.267106Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n-4.781346 -1.976753 0.000000\n0.000000 0.000000 6.358933\n-4.781450 5.930511 0.000000\nLi Mn O F\n8 4 8 4\ndirect\n0.998360 0.250000 0.666118 Li\n0.498359 0.250000 0.166119 Li\n0.001639 0.750000 0.333882 Li\n0.501641 0.750000 0.833880 Li\n0.061264 0.750000 0.687081 Li\n0.561267 0.750000 0.187081 Li\n0.938736 0.250000 0.312919 Li\n0.438732 0.250000 0.812919 Li\n0.500000 0.000000 0.500001 Mn\n0.499999 0.500000 0.500000 Mn\n0.000002 0.000000 0.000000 Mn\n0.000002 0.500000 0.000001 Mn\n0.322737 0.750000 0.440911 O\n0.822750 0.750000 0.940915 O\n0.677263 0.250000 0.559089 O\n0.177250 0.250000 0.059085 O\n0.750003 0.500000 0.249996 O\n0.249997 0.500000 0.750003 O\n0.750003 0.000000 0.249996 O\n0.249997 0.000000 0.750003 O\n0.243743 0.250000 0.414562 F\n0.743760 0.250000 0.914567 F\n0.756256 0.750000 0.585438 F\n0.256240 0.750000 0.085433 F\n",
"nsites": 24,
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"elements": [
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"F"
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"volume": 240.41580884469698,
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"formula_full": "Li8 Mn4 O8 F4",
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"formula_anonymous": "ABC2D2",
"energy": -157.18297038999998,
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"updated_at": "2021-11-28T01:37:59.415000Z",
"spacegroup": 63
},
{
"id": "mp-756686",
"created_at": "2022-09-04T14:46:41.666585Z",
"structure_string": "Al4 Ga4 O12\n1.0\n4.889231 0.000000 0.000000\n0.000000 5.009529 0.000000\n0.000000 0.000000 7.448018\nAl Ga O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.014015 0.957043 0.750000 Ga\n0.485985 0.457043 0.750000 Ga\n0.514015 0.542957 0.250000 Ga\n0.985985 0.042957 0.250000 Ga\n0.132061 0.420152 0.250000 O\n0.181007 0.185489 0.571448 O\n0.181007 0.185489 0.928552 O\n0.318993 0.685489 0.571448 O\n0.318993 0.685489 0.928552 O\n0.367939 0.920152 0.250000 O\n0.632061 0.079848 0.750000 O\n0.681007 0.314511 0.071448 O\n0.681007 0.314511 0.428552 O\n0.818993 0.814511 0.071448 O\n0.818993 0.814511 0.428552 O\n0.867939 0.579848 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Ga",
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],
"chemical_system": "Al-Ga-O",
"density": 5.268750946247227,
"density_atomic": 0.10963565771328435,
"volume": 182.42240177281883,
"volume_molar": 5.492866906265943,
"formula_full": "Al4 Ga4 O12",
"formula_reduced": "AlGaO3",
"formula_anonymous": "ABC3",
"energy": -141.2750267,
"energy_per_atom": -7.063751335000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -133.0310267,
"band_gap": 2.6071,
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"is_magnetic": false,
"total_magnetization": 5.96e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.087000Z",
"spacegroup": 62
},
{
"id": "mp-756685",
"created_at": "2022-09-04T14:48:12.627556Z",
"structure_string": "Co1 Cu4 O8\n1.0\n2.872375 5.223310 0.000000\n-2.872375 5.223310 0.000000\n0.000000 2.195609 5.026753\nCo Cu O\n1 4 8\ndirect\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.699376 0.699376 0.828041 O\n0.702018 0.264237 0.768435 O\n0.264237 0.702018 0.768435 O\n0.197520 0.197520 0.839262 O\n0.802480 0.802480 0.160738 O\n0.735763 0.297982 0.231565 O\n0.297982 0.735763 0.231565 O\n0.300624 0.300624 0.171959 O\n",
"nsites": 13,
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"elements": [
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"O"
],
"chemical_system": "Co-Cu-O",
"density": 4.8561699537095,
"density_atomic": 0.08618642587355964,
"volume": 150.83581745310724,
"volume_molar": 6.987342495017512,
"formula_full": "Co1 Cu4 O8",
"formula_reduced": "Co(CuO2)4",
"formula_anonymous": "AB4C8",
"energy": -73.97088338,
"energy_per_atom": -5.690067952307692,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -66.83688338,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.255000Z",
"spacegroup": 12
},
{
"id": "mp-756684",
"created_at": "2022-09-04T14:43:41.367323Z",
"structure_string": "Sr2 Li2 Nb3 O10\n1.0\n0.000000 2.855382 13.306281\n2.853696 0.000000 13.306281\n2.853696 2.855382 0.000000\nSr Li Nb O\n2 2 3 10\ndirect\n0.416751 0.418490 0.581510 Sr\n0.581510 0.583249 0.416751 Sr\n0.749984 0.750016 0.749984 Li\n0.249984 0.250016 0.249984 Li\n0.985995 0.014005 0.985995 Nb\n0.157878 0.157191 0.842809 Nb\n0.842809 0.842122 0.157878 Nb\n0.070407 0.081955 0.918045 O\n0.648214 0.650132 0.850555 O\n0.228410 0.229383 0.770617 O\n0.850555 0.851099 0.648214 O\n0.770617 0.771590 0.228410 O\n0.918045 0.929593 0.070407 O\n0.486247 0.513753 0.978724 O\n0.148901 0.149445 0.349868 O\n0.978724 0.021276 0.486247 O\n0.349868 0.351786 0.148901 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
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"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Sr",
"density": 4.807686128364541,
"density_atomic": 0.07839535141081355,
"volume": 216.84959240650952,
"volume_molar": 7.681757466003692,
"formula_full": "Sr2 Li2 Nb3 O10",
"formula_reduced": "Sr2Li2Nb3O10",
"formula_anonymous": "A2B2C3D10",
"energy": -139.41362370000002,
"energy_per_atom": -8.200801394117647,
"energy_above_hull": null,
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"energy_uncorrected": -132.5436237,
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"total_magnetization": 0.0005015,
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"updated_at": "2021-11-28T01:36:14.163000Z",
"spacegroup": 42
}
]
}