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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=420",
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"results": [
{
"id": "jvasp-44692",
"created_at": "2022-09-04T14:38:09.416209Z",
"updated_at": "2022-09-04T14:38:09.416228Z",
"structure_string": "Li4 Mn1 Fe3 O8\n1.0\n5.031890 0.112825 0.016736\n-0.072343 5.508445 -0.007747\n0.000452 -0.037596 6.371487\nLi Mn Fe O\n4 1 3 8\ndirect\n0.990986 0.916315 0.377128 Li\n0.500199 0.578690 0.875236 Li\n0.993454 0.421162 0.124101 Li\n0.499121 0.086023 0.623537 Li\n0.497449 0.083619 0.126778 Mn\n-0.000286 0.916674 0.875551 Fe\n0.498538 0.582776 0.370957 Fe\n0.998937 0.416818 0.625628 Fe\n0.372470 0.927768 0.892557 O\n0.391232 0.911833 0.354523 O\n0.887067 0.586547 0.872855 O\n0.881751 0.579629 0.380365 O\n0.377737 0.424162 0.619830 O\n0.392954 0.401621 0.133404 O\n0.887133 0.087533 0.630504 O\n0.857660 0.078827 0.117051 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.5553504621002308,
"density_atomic": 0.0905721655383359,
"volume": 176.6547140051298,
"volume_molar": 6.648997210352719,
"formula_full": "Li4 Mn1 Fe3 O8",
"formula_reduced": "Li4MnFe3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.743602608836207,
"spacegroup": 1
},
{
"id": "jvasp-44710",
"created_at": "2022-09-04T14:38:09.567540Z",
"updated_at": "2022-09-04T14:38:09.567569Z",
"structure_string": "Li2 Mn1 Fe1 O4\n1.0\n0.000000 4.869969 0.071093\n2.842643 0.000000 0.000000\n0.000000 -1.550178 -4.775434\nLi Mn Fe O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.499999 0.000000 Li\n-0.000000 0.499999 0.500000 Mn\n0.500000 0.000000 0.500000 Fe\n0.759779 0.000000 0.271452 O\n0.256820 0.499999 0.274154 O\n0.240221 0.000000 0.728548 O\n0.743180 0.499999 0.725846 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.761420992446381,
"density_atomic": 0.1215882346779994,
"volume": 65.79583971414915,
"volume_molar": 4.952897602262555,
"formula_full": "Li2 Mn1 Fe1 O4",
"formula_reduced": "Li2MnFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.484753342672413,
"spacegroup": 10
},
{
"id": "jvasp-111953",
"created_at": "2022-09-04T14:38:42.749913Z",
"updated_at": "2022-09-04T14:38:42.749940Z",
"structure_string": "Li4 Mn3 Fe1 O8\n1.0\n4.960818 0.038305 2.969081\n1.701702 4.659979 2.969081\n0.054320 0.038305 5.781195\nLi Mn Fe O\n4 3 1 8\ndirect\n0.500000 0.500001 0.499999 Li\n-0.000000 0.000000 0.499999 Li\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Li\n0.500000 0.500001 -0.000000 Mn\n-0.000000 0.500001 0.499999 Mn\n0.500000 0.000001 0.499999 Mn\n0.000000 0.000000 0.000000 Fe\n0.256749 0.256750 0.256749 O\n0.756289 0.756291 0.259500 O\n0.259501 0.756291 0.756289 O\n0.743250 0.743252 0.743249 O\n0.756289 0.259503 0.756288 O\n0.243710 0.243711 0.740498 O\n0.740499 0.243711 0.243709 O\n0.243710 0.740499 0.243710 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.729808676114627,
"density_atomic": 0.12107199241620298,
"volume": 132.15277687838505,
"volume_molar": 4.974016401165676,
"formula_full": "Li4 Mn3 Fe1 O8",
"formula_reduced": "Li4Mn3FeO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.8573840765086205,
"spacegroup": 166
},
{
"id": "jvasp-112826",
"created_at": "2022-09-04T14:38:42.862799Z",
"updated_at": "2022-09-04T14:38:42.862827Z",
"structure_string": "Li4 Mn5 Fe1 O12\n1.0\n4.863325 -0.030179 0.199254\n-2.422810 4.216969 0.199254\n0.410347 0.703965 9.930422\nLi Mn Fe O\n4 5 1 12\ndirect\n0.915389 0.245384 0.241145 Li\n0.754615 0.084609 0.758854 Li\n0.245384 0.915390 0.241145 Li\n0.084610 0.754615 0.758854 Li\n0.833233 0.166766 0.500000 Mn\n0.336752 0.663248 -0.000000 Mn\n0.663247 0.336752 -0.000000 Mn\n0.166767 0.833233 0.499999 Mn\n0.500000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Fe\n-0.029864 0.627184 0.107151 O\n0.706907 0.706907 0.890695 O\n0.372816 0.029863 0.892848 O\n0.199089 0.536367 0.391559 O\n0.873443 0.873443 0.391294 O\n0.029864 0.372815 0.892848 O\n0.463633 0.800910 0.608440 O\n0.800910 0.463632 0.608440 O\n0.627184 -0.029864 0.107151 O\n0.293092 0.293092 0.109304 O\n0.536367 0.199089 0.391559 O\n0.126556 0.126556 0.608705 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.533486799452701,
"density_atomic": 0.10914723037926959,
"volume": 201.5626042324064,
"volume_molar": 5.5174471574532875,
"formula_full": "Li4 Mn5 Fe1 O12",
"formula_reduced": "Li4Mn5FeO12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.1640697139498437,
"spacegroup": 12
},
{
"id": "jvasp-110622",
"created_at": "2022-09-04T14:38:38.035275Z",
"updated_at": "2022-09-04T14:38:38.035293Z",
"structure_string": "Li2 Mn1 Fe1 O4\n1.0\n3.680559 -0.025487 -3.429283\n-0.713737 3.610781 -3.429283\n0.021090 0.025487 5.030511\nLi Mn Fe O\n2 1 1 4\ndirect\n0.249999 0.750000 0.500000 Li\n0.500000 0.499999 -0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Fe\n0.509703 0.009703 0.500000 O\n0.236508 0.236508 -0.000000 O\n0.990297 0.490297 0.500000 O\n0.763491 0.763491 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.647441753986891,
"density_atomic": 0.1186776467639675,
"volume": 67.40949301017766,
"volume_molar": 5.074368193344076,
"formula_full": "Li2 Mn1 Fe1 O4",
"formula_reduced": "Li2MnFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.488225842672413,
"spacegroup": 119
},
{
"id": "jvasp-119365",
"created_at": "2022-09-04T14:38:31.487438Z",
"updated_at": "2022-09-04T14:38:31.487470Z",
"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n4.957417 -0.003439 2.829592\n1.641393 4.677801 2.829592\n-0.004855 -0.003439 5.708112\nLi Mn Fe O\n2 3 1 8\ndirect\n0.123708 0.123707 0.123707 Li\n0.876294 0.876292 0.876291 Li\n0.500001 -0.000000 0.499999 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.500000 0.499999 Fe\n0.261444 0.261443 0.261443 O\n0.712252 0.261584 0.261584 O\n0.261585 0.261584 0.712251 O\n0.261585 0.712251 0.261584 O\n0.738417 0.287748 0.738415 O\n0.738416 0.738415 0.287748 O\n0.287749 0.738415 0.738415 O\n0.738557 0.738556 0.738556 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.543479647009242,
"density_atomic": 0.10566130861756638,
"volume": 132.49883219478198,
"volume_molar": 5.699475842947121,
"formula_full": "Li2 Mn3 Fe1 O8",
"formula_reduced": "Li2Mn3FeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1096110874384237,
"spacegroup": 166
},
{
"id": "jvasp-42982",
"created_at": "2022-09-04T14:37:26.994469Z",
"updated_at": "2022-09-04T14:37:26.994480Z",
"structure_string": "Li4 Mn4 Fe2 O12\n1.0\n4.872842 0.018773 -0.000000\n-2.432547 4.222280 0.000000\n0.000000 0.000000 10.010598\nLi Mn Fe O\n4 4 2 12\ndirect\n0.160020 0.660021 0.750000 Li\n0.339979 0.839979 0.250000 Li\n0.660020 0.160020 0.750000 Li\n0.839979 0.339979 0.250000 Li\n0.162568 0.837431 0.500000 Mn\n0.337431 0.662568 0.000000 Mn\n0.662568 0.337431 0.000000 Mn\n0.837431 0.162568 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n0.503162 0.162070 0.393495 O\n0.834027 0.834027 0.396607 O\n0.337928 0.996837 0.893495 O\n0.665971 0.665972 0.896606 O\n0.334028 0.334028 0.103393 O\n0.003162 0.662071 0.106505 O\n0.496836 0.837929 0.606505 O\n0.162071 0.503163 0.393495 O\n0.996836 0.337928 0.893495 O\n0.837928 0.496837 0.606505 O\n0.165972 0.165972 0.603394 O\n0.662070 0.003162 0.106505 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.4340976148697315,
"density_atomic": 0.10657870226287089,
"volume": 206.4202278025316,
"volume_molar": 5.650416670627775,
"formula_full": "Li4 Mn4 Fe2 O12",
"formula_reduced": "Li2Mn2FeO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.884620998432601,
"spacegroup": 64
},
{
"id": "jvasp-48349",
"created_at": "2022-09-04T14:36:35.901113Z",
"updated_at": "2022-09-04T14:36:35.901151Z",
"structure_string": "Li4 Mn1 Fe3 O8\n1.0\n-5.653058 0.000641 -0.002633\n-0.000446 -5.747582 -0.070115\n2.824765 2.918547 4.067572\nLi Mn Fe O\n4 1 3 8\ndirect\n0.500004 0.999995 0.499999 Li\n0.999998 0.499998 0.999992 Li\n0.999999 0.999996 0.500002 Li\n0.499999 0.500000 0.999998 Li\n0.000002 0.000008 0.000009 Mn\n0.500000 0.500002 0.500003 Fe\n0.499999 0.000004 0.000002 Fe\n1.000000 0.500003 0.500003 Fe\n0.258950 0.741103 0.517883 O\n0.744287 0.758659 0.985600 O\n0.758711 0.241350 0.014408 O\n0.241294 0.255669 0.482613 O\n0.758709 0.744340 0.517401 O\n0.241287 0.758660 0.985598 O\n0.255713 0.241349 0.014407 O\n0.741048 0.258901 0.482121 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.795832895813156,
"density_atomic": 0.12217332034186969,
"volume": 130.9614894252545,
"volume_molar": 4.929178271613339,
"formula_full": "Li4 Mn1 Fe3 O8",
"formula_reduced": "Li4MnFe3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.739461983836206,
"spacegroup": 166
},
{
"id": "jvasp-117133",
"created_at": "2022-09-04T14:38:46.328056Z",
"updated_at": "2022-09-04T14:38:46.328074Z",
"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n4.975504 0.035632 2.907328\n1.685363 4.681502 2.907328\n0.050315 0.035632 5.762435\nLi Mn Fe O\n2 3 1 8\ndirect\n0.878782 0.878783 0.878787 Li\n0.503539 0.503539 0.503541 Li\n0.993390 0.501007 0.501010 Mn\n0.501007 0.993390 0.501010 Mn\n0.501007 0.501007 0.993394 Mn\n0.119168 0.119168 0.119168 Fe\n0.738561 0.738562 0.738565 O\n0.748864 0.748864 0.285272 O\n0.748864 0.285270 0.748867 O\n0.285270 0.748864 0.748867 O\n0.728440 0.249018 0.249020 O\n0.249018 0.728440 0.249020 O\n0.249018 0.249018 0.728442 O\n0.255059 0.255059 0.255060 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.531233226991242,
"density_atomic": 0.10537651087101237,
"volume": 132.85693257709872,
"volume_molar": 5.714879635150843,
"formula_full": "Li2 Mn3 Fe1 O8",
"formula_reduced": "Li2Mn3FeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.119149658866995,
"spacegroup": 160
},
{
"id": "jvasp-116876",
"created_at": "2022-09-04T14:38:50.962137Z",
"updated_at": "2022-09-04T14:38:50.962164Z",
"structure_string": "Li12 Mn2 Fe4 O12\n1.0\n2.851319 0.001441 -0.803193\n-0.860198 14.754638 2.437168\n0.294776 0.399800 6.508845\nLi Mn Fe O\n12 2 4 12\ndirect\n0.019523 0.310190 0.728821 Li\n0.960095 0.824324 0.095970 Li\n0.670438 0.288586 0.052250 Li\n0.610994 0.802840 0.419151 Li\n0.964562 0.152033 0.777043 Li\n0.964625 0.657499 0.271741 Li\n0.665880 0.455518 0.876191 Li\n0.665748 0.960975 0.370527 Li\n0.315059 0.140834 0.489298 Li\n0.315770 0.632752 -0.001155 Li\n0.314691 0.480331 0.149004 Li\n0.315169 0.972260 0.658090 Li\n0.279521 0.791922 0.767217 Mn\n0.350938 0.321194 0.380685 Mn\n0.011962 0.995747 0.028157 Fe\n0.009422 0.496059 0.522738 Fe\n0.618282 0.117195 0.119349 Fe\n0.621099 0.617000 0.625201 Fe\n0.441677 0.067669 0.815652 O\n0.518869 0.390832 0.646830 O\n0.519114 0.893284 0.145006 O\n0.111215 0.219687 0.002715 O\n0.111606 0.722223 0.501033 O\n0.864335 0.230011 0.498668 O\n0.840249 0.719097 0.961469 O\n0.790185 0.393962 0.186374 O\n0.766018 0.883062 0.649017 O\n0.188619 0.045337 0.331908 O\n0.186557 0.540938 0.832136 O\n0.443954 0.572113 0.315784 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.6768576560513857,
"density_atomic": 0.10915891469615348,
"volume": 274.82867600420667,
"volume_molar": 5.5168565726058905,
"formula_full": "Li12 Mn2 Fe4 O12",
"formula_reduced": "Li6Mn(FeO3)2",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 2.3482766160919537,
"spacegroup": 12
},
{
"id": "jvasp-47069",
"created_at": "2022-09-04T14:38:03.484491Z",
"updated_at": "2022-09-04T14:38:03.484519Z",
"structure_string": "Li2 Mn2 Fe2 O8\n1.0\n5.760646 -0.000000 -0.000000\n2.880323 4.954497 0.042614\n2.880323 1.691675 4.656940\nLi Mn Fe O\n2 2 2 8\ndirect\n0.122223 0.127777 0.127777 Li\n0.877778 0.872222 0.872222 Li\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 -0.000001 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.259070 0.265124 0.265124 O\n0.262632 0.259891 0.714844 O\n0.262632 0.714844 0.259891 O\n0.710680 0.265124 0.265124 O\n0.289320 0.734875 0.734875 O\n0.737368 0.740109 0.285156 O\n0.737368 0.285156 0.740108 O\n0.740930 0.734875 0.734875 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.554842808526264,
"density_atomic": 0.1056612335832017,
"volume": 132.4989262876234,
"volume_molar": 5.699479890378089,
"formula_full": "Li2 Mn2 Fe2 O8",
"formula_reduced": "LiMnFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.670122391625616,
"spacegroup": 74
},
{
"id": "jvasp-43164",
"created_at": "2022-09-04T14:36:58.196698Z",
"updated_at": "2022-09-04T14:36:58.196720Z",
"structure_string": "Li2 Mn1 Fe1 O4\n1.0\n5.026114 -0.220118 0.000000\n2.001757 4.615543 0.000000\n-3.513936 -2.197712 2.851769\nLi Mn Fe O\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.749999 0.250000 0.500000 Fe\n0.509720 0.009721 0.500000 O\n0.236488 0.236488 -0.000000 O\n0.990278 0.490279 0.500000 O\n0.763512 0.763512 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.647228173365351,
"density_atomic": 0.11867219274283061,
"volume": 67.41259106365764,
"volume_molar": 5.074601404770806,
"formula_full": "Li2 Mn1 Fe1 O4",
"formula_reduced": "Li2MnFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.488225842672413,
"spacegroup": 119
}
]
}