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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=419",
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"results": [
{
"id": "jvasp-112809",
"created_at": "2022-09-04T14:38:44.344371Z",
"updated_at": "2022-09-04T14:38:44.344399Z",
"structure_string": "Li2 Mn3 Ga1 O8\n1.0\n5.037266 0.060469 2.959403\n1.722898 4.733723 2.959711\n0.085829 0.060306 5.841631\nLi Mn Ga O\n2 3 1 8\ndirect\n0.123113 0.123092 0.123102 Li\n0.876889 0.876909 0.876896 Li\n0.499998 0.000003 0.499998 Mn\n0.499999 0.499999 0.000001 Mn\n0.000002 0.499998 0.499999 Mn\n0.500000 0.500000 0.500000 Ga\n0.262958 0.262927 0.262931 O\n0.713576 0.257362 0.257366 O\n0.257367 0.713584 0.257388 O\n0.257363 0.257376 0.713580 O\n0.742635 0.286417 0.742610 O\n0.742639 0.742625 0.286417 O\n0.286426 0.742638 0.742632 O\n0.737045 0.737074 0.737067 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O",
"density": 4.565526425338502,
"density_atomic": 0.10225949524729264,
"volume": 136.90660183823522,
"volume_molar": 5.8890773374509084,
"formula_full": "Li2 Mn3 Ga1 O8",
"formula_reduced": "Li2Mn3GaO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.7616430035098523,
"spacegroup": 166
},
{
"id": "jvasp-112852",
"created_at": "2022-09-04T14:38:44.443460Z",
"updated_at": "2022-09-04T14:38:44.443480Z",
"structure_string": "Li3 Mn2 Fe1 O6\n1.0\n6.223850 0.076882 1.576100\n5.542907 2.831677 1.576100\n0.049337 0.012195 5.766162\nLi Mn Fe O\n3 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.664627 0.664629 0.665785 Li\n0.335372 0.335373 0.334214 Li\n0.665241 0.665242 0.169495 Mn\n0.334758 0.334760 0.830504 Mn\n-0.000001 0.000001 0.500000 Fe\n0.162400 0.162401 0.404256 O\n0.828310 0.828310 0.070884 O\n0.837599 0.837601 0.595743 O\n0.494545 0.494547 0.737131 O\n0.505454 0.505455 0.262868 O\n0.171689 0.171692 0.929115 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.742060524700519,
"density_atomic": 0.12128819900632917,
"volume": 98.93790243660725,
"volume_molar": 4.965149791436632,
"formula_full": "Li3 Mn2 Fe1 O6",
"formula_reduced": "Li3Mn2FeO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.730075915229885,
"spacegroup": 12
},
{
"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-45798",
"created_at": "2022-09-04T14:38:03.379815Z",
"updated_at": "2022-09-04T14:38:03.379836Z",
"structure_string": "Li3 Mn3 Fe2 O10\n1.0\n4.951991 -0.016887 0.021820\n0.789052 4.977116 -0.024929\n2.386367 1.997711 6.787453\nLi Mn Fe O\n3 3 2 10\ndirect\n0.221515 0.501213 0.572683 Li\n0.500000 -0.000000 0.500000 Li\n0.778486 0.498788 0.427316 Li\n-0.000000 0.500000 -0.000000 Mn\n0.686767 0.005775 0.108370 Mn\n0.313233 0.994225 0.891630 Mn\n0.105907 -0.000282 0.310571 Fe\n0.894094 0.000281 0.689429 Fe\n0.875212 0.775508 0.538226 O\n0.784481 0.237370 0.236871 O\n0.547388 0.211608 0.662677 O\n0.452612 0.788392 0.337322 O\n0.036078 0.778570 0.140442 O\n0.124789 0.224492 0.461773 O\n0.346080 0.213836 0.055877 O\n0.653921 0.786165 0.944122 O\n0.215519 0.762630 0.763128 O\n0.963922 0.221430 0.859557 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.5364058908879965,
"density_atomic": 0.10752613629359326,
"volume": 167.4011605034533,
"volume_molar": 5.600629732995267,
"formula_full": "Li3 Mn3 Fe2 O10",
"formula_reduced": "Li3Mn3(FeO5)2",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.0957293180076624,
"spacegroup": 2
},
{
"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-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-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
},
{
"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-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": [
"Li",
"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-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-48316",
"created_at": "2022-09-04T14:36:13.477613Z",
"updated_at": "2022-09-04T14:36:13.477628Z",
"structure_string": "Li5 Mn3 Fe2 O10\n1.0\n4.912966 0.002430 -0.035763\n-0.804006 4.805929 0.025770\n-2.366585 -2.094056 6.920393\nLi Mn Fe O\n5 3 2 10\ndirect\n0.089251 0.784177 0.585505 Li\n0.710419 0.610804 0.221491 Li\n0.499999 0.500000 0.500000 Li\n0.289580 0.389195 0.778509 Li\n0.910748 0.215822 0.414495 Li\n0.500001 0.000000 0.000000 Mn\n0.114023 0.301977 0.109036 Mn\n0.885976 0.698022 0.890964 Mn\n0.696139 0.099994 0.694241 Fe\n0.303860 0.900005 0.305759 Fe\n0.713126 0.336259 0.947859 O\n0.904890 0.950496 0.140014 O\n0.286873 0.663740 0.052141 O\n0.681013 0.868991 0.454445 O\n0.510004 0.762097 0.758189 O\n0.106176 0.550952 0.335296 O\n0.893823 0.449047 0.664704 O\n0.489995 0.237902 0.241811 O\n0.318986 0.131008 0.545555 O\n0.095109 0.049503 0.859986 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.794094872252155,
"density_atomic": 0.12254041623672049,
"volume": 163.21145801695747,
"volume_molar": 4.914411869114741,
"formula_full": "Li5 Mn3 Fe2 O10",
"formula_reduced": "Li5Mn3(FeO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.8930698862068964,
"spacegroup": 2
}
]
}