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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4065",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4063",
"results": [
{
"id": "jvasp-85817",
"created_at": "2022-09-04T14:36:03.427448Z",
"updated_at": "2022-09-04T14:36:03.427464Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n6.557426 2.191146 7.716611\n-0.971520 2.097064 2.269127\n-4.381289 -4.441730 -2.393624\nTi Mn O\n2 2 6\ndirect\n0.256677 0.295238 0.680233 Ti\n0.743324 0.704762 0.319767 Ti\n0.772476 0.727307 0.885968 Mn\n0.227525 0.272693 0.114033 Mn\n0.206903 0.610282 0.420619 O\n0.421893 0.925856 0.058720 O\n0.897149 0.354877 0.200556 O\n0.793098 0.389719 0.579382 O\n0.578108 0.074144 0.941281 O\n0.102852 0.645124 0.799445 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"O"
],
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"density": 4.532613828927082,
"density_atomic": 0.09050215894874936,
"volume": 110.494601633348,
"volume_molar": 6.654140442561475,
"formula_full": "Ti2 Mn2 O6",
"formula_reduced": "TiMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.7728612149425285,
"spacegroup": 12
},
{
"id": "jvasp-11764",
"created_at": "2022-09-04T14:37:17.148409Z",
"updated_at": "2022-09-04T14:37:17.148434Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n4.557329 -0.016858 3.219142\n1.658302 4.244946 3.219142\n-0.024784 -0.016858 5.579562\nTi Mn O\n2 2 6\ndirect\n0.853237 0.853236 0.853235 Ti\n0.146764 0.146764 0.146763 Ti\n0.640354 0.640353 0.640352 Mn\n0.359647 0.359647 0.359646 Mn\n0.048269 0.777180 0.437978 O\n0.777180 0.437979 0.048268 O\n0.437980 0.048269 0.777179 O\n0.951732 0.222820 0.562020 O\n0.562021 0.951732 0.222820 O\n0.222821 0.562021 0.951730 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
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"density": 4.61196922308805,
"density_atomic": 0.09208663862578738,
"volume": 108.59338715399328,
"volume_molar": 6.539646630465233,
"formula_full": "Ti2 Mn2 O6",
"formula_reduced": "TiMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.742603214942529,
"spacegroup": 148
},
{
"id": "jvasp-115240",
"created_at": "2022-09-04T14:38:45.527418Z",
"updated_at": "2022-09-04T14:38:45.527432Z",
"structure_string": "Ti1 Mn1 O4\n1.0\n-1.877932 1.877932 4.699906\n1.877932 -1.877932 4.699906\n1.877932 1.877932 -4.699906\nTi Mn O\n1 1 4\ndirect\n0.749999 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.962156 0.462158 0.499999 O\n0.798460 0.798460 0.000000 O\n0.537841 0.037842 0.499999 O\n0.201540 0.201540 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.1777566808459365,
"density_atomic": 0.09049870450835733,
"volume": 66.29929160417888,
"volume_molar": 6.654394438810857,
"formula_full": "Ti1 Mn1 O4",
"formula_reduced": "TiMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.859351595785441,
"spacegroup": 119
},
{
"id": "jvasp-43226",
"created_at": "2022-09-04T14:35:56.025266Z",
"updated_at": "2022-09-04T14:35:56.025296Z",
"structure_string": "Ti1 Mn1 O4\n1.0\n5.401709 0.243803 0.000000\n2.583268 4.750224 0.000000\n-3.992489 -2.497014 2.657604\nTi Mn O\n1 1 4\ndirect\n0.750000 0.249999 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.537900 0.037900 0.499999 O\n0.201271 0.201270 -0.000000 O\n0.962100 0.462099 0.499999 O\n0.798731 0.798728 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.163985933376882,
"density_atomic": 0.09020040211756114,
"volume": 66.51855046255784,
"volume_molar": 6.676401233944774,
"formula_full": "Ti1 Mn1 O4",
"formula_reduced": "TiMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.860758262452108,
"spacegroup": 119
},
{
"id": "jvasp-105310",
"created_at": "2022-09-04T14:36:55.544381Z",
"updated_at": "2022-09-04T14:36:55.544391Z",
"structure_string": "Ti3 Mn3 P3\n1.0\n6.198517 -0.000000 0.000000\n-3.099258 5.368073 0.000000\n-0.000000 -0.000000 3.386128\nTi Mn P\n3 3 3\ndirect\n0.589234 0.000000 -0.000000 Ti\n-0.000000 0.589233 -0.000000 Ti\n0.410767 0.410767 -0.000000 Ti\n0.247144 0.000000 0.500000 Mn\n-0.000000 0.247144 0.500000 Mn\n0.752856 0.752856 0.500000 Mn\n0.333333 0.666666 0.500000 P\n0.666667 0.333333 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"P"
],
"chemical_system": "Mn-P-Ti",
"density": 5.914909309209721,
"density_atomic": 0.0798790569010044,
"volume": 112.67033374159472,
"volume_molar": 7.539073436311789,
"formula_full": "Ti3 Mn3 P3",
"formula_reduced": "TiMnP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9363903582375483,
"spacegroup": 189
},
{
"id": "jvasp-32159",
"created_at": "2022-09-04T14:37:47.093921Z",
"updated_at": "2022-09-04T14:37:47.093950Z",
"structure_string": "Ti2 Mn4 P24\n1.0\n5.831570 0.000000 -0.000000\n-2.915784 7.315936 -3.450994\n-0.000000 -0.004028 10.716430\nTi Mn P\n2 4 24\ndirect\n0.302693 -0.000000 0.750000 Ti\n0.697307 -0.000000 0.250000 Ti\n0.372017 0.364653 0.546475 Mn\n0.992637 0.364654 0.046475 Mn\n0.627984 0.635347 0.453525 Mn\n0.007364 0.635347 0.953525 Mn\n0.416007 0.124884 0.167336 P\n0.291124 0.875116 0.332664 P\n0.647385 0.642979 0.663675 P\n0.004405 0.357021 0.836326 P\n0.352616 0.357021 0.336326 P\n0.995596 0.642979 0.163675 P\n0.431906 0.764977 0.992903 P\n0.666929 0.235023 0.507098 P\n0.568095 0.235023 0.007098 P\n0.594998 0.547315 0.925033 P\n0.983174 0.065431 0.927657 P\n0.082258 0.065431 0.427657 P\n0.016826 0.934569 0.072344 P\n0.331097 0.312122 0.743070 P\n0.018975 0.687878 0.756930 P\n0.668904 0.687879 0.256931 P\n0.981026 0.312122 0.243070 P\n0.708877 0.124884 0.667336 P\n0.583994 0.875116 0.832664 P\n0.952318 0.547316 0.425033 P\n0.405003 0.452685 0.074968 P\n0.047683 0.452685 0.574967 P\n0.917743 0.934569 0.572344 P\n0.333072 0.764977 0.492903 P\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"P"
],
"chemical_system": "Mn-P-Ti",
"density": 3.8464286180701177,
"density_atomic": 0.06562853966336282,
"volume": 457.11820122591456,
"volume_molar": 9.176100505801541,
"formula_full": "Ti2 Mn4 P24",
"formula_reduced": "Ti(MnP6)2",
"formula_anonymous": "AB2C12",
"energy_above_hull": 3.949280587739464,
"spacegroup": 15
},
{
"id": "jvasp-43339",
"created_at": "2022-09-04T14:36:13.550819Z",
"updated_at": "2022-09-04T14:36:13.550844Z",
"structure_string": "Ti2 Mn2 P4 O16\n1.0\n0.000000 4.919300 -0.021766\n5.914568 0.000000 0.000000\n0.000000 -0.093375 -9.950356\nTi Mn P O\n2 2 4 16\ndirect\n0.554199 0.250000 0.224263 Ti\n0.445802 0.750000 0.775738 Ti\n0.058070 0.750000 0.274031 Mn\n0.941931 0.250000 0.725970 Mn\n0.581779 0.750000 0.090575 P\n0.132791 0.250000 0.403553 P\n0.867210 0.750000 0.596448 P\n0.418222 0.250000 0.909426 P\n0.279903 0.042023 0.837224 O\n0.279903 0.457978 0.837224 O\n0.712009 0.550604 0.668187 O\n0.712009 0.949397 0.668187 O\n0.167753 0.750000 0.641469 O\n0.157565 0.250000 0.553914 O\n0.842436 0.750000 0.446086 O\n0.720098 0.542023 0.162777 O\n0.287992 0.449397 0.331814 O\n0.287992 0.050603 0.331814 O\n0.723278 0.250000 0.894517 O\n0.720098 0.957978 0.162777 O\n0.276723 0.750000 0.105484 O\n0.342177 0.250000 0.060487 O\n0.832248 0.250000 0.358532 O\n0.657824 0.750000 0.939514 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Ti",
"density": 3.358069640617636,
"density_atomic": 0.08289498417186807,
"volume": 289.52294568559483,
"volume_molar": 7.264783050702028,
"formula_full": "Ti2 Mn2 P4 O16",
"formula_reduced": "TiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.1847995478927205,
"spacegroup": 11
},
{
"id": "jvasp-41623",
"created_at": "2022-09-04T14:37:42.022822Z",
"updated_at": "2022-09-04T14:37:42.022850Z",
"structure_string": "Ti1 Mn1 Rh2\n1.0\n0.000000 3.067309 3.067309\n3.067309 0.000000 3.067309\n3.067309 3.067309 0.000000\nTi Mn Rh\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.250001 0.250001 0.250001 Mn\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh-Ti",
"density": 8.87901963574562,
"density_atomic": 0.06930385758231383,
"volume": 57.71684491370636,
"volume_molar": 8.689474107335744,
"formula_full": "Ti1 Mn1 Rh2",
"formula_reduced": "TiMnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3264903936781614,
"spacegroup": 225
},
{
"id": "jvasp-99914",
"created_at": "2022-09-04T14:36:33.254612Z",
"updated_at": "2022-09-04T14:36:33.254633Z",
"structure_string": "Ti2 Mn2 Sb2\n1.0\n4.552322 -0.000000 0.000000\n-2.276161 3.942428 -0.000000\n0.000000 0.000000 5.588674\nTi Mn Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.749999 Mn\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.749999 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Ti",
"density": 7.4355950306736975,
"density_atomic": 0.05981990642116351,
"volume": 100.30105961311362,
"volume_molar": 10.067118322788689,
"formula_full": "Ti2 Mn2 Sb2",
"formula_reduced": "TiMnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.820760558237548,
"spacegroup": 194
},
{
"id": "jvasp-97804",
"created_at": "2022-09-04T14:38:08.186446Z",
"updated_at": "2022-09-04T14:38:08.186473Z",
"structure_string": "Ti12 Mn12 Si24\n1.0\n7.695616 0.000000 0.000000\n0.000000 8.684696 -0.000000\n0.000000 0.000000 9.495653\nTi Mn Si\n12 12 24\ndirect\n0.239634 0.828146 0.453141 Ti\n0.239634 0.171855 0.546859 Ti\n0.760366 0.328146 0.046859 Ti\n0.760366 0.671855 0.953140 Ti\n0.760366 0.171855 0.546859 Ti\n0.760366 0.828146 0.453141 Ti\n0.239634 0.671855 0.953140 Ti\n0.239634 0.328146 0.046859 Ti\n0.000000 0.331107 0.320638 Ti\n0.000000 0.668893 0.679362 Ti\n0.000000 0.831107 0.179362 Ti\n0.000000 0.168893 0.820638 Ti\n0.243692 0.500000 0.500000 Mn\n0.248167 0.584415 0.246861 Mn\n0.248167 0.415586 0.753139 Mn\n0.751833 0.084415 0.253139 Mn\n0.751833 0.915586 0.746861 Mn\n0.751833 0.415586 0.753139 Mn\n0.751833 0.584415 0.246861 Mn\n0.248167 0.915586 0.746861 Mn\n0.243692 0.000000 0.000000 Mn\n0.756309 0.500000 0.500000 Mn\n0.248167 0.084415 0.253139 Mn\n0.756309 0.000000 0.000000 Mn\n0.500000 0.037001 0.377065 Si\n0.654969 0.331777 0.317725 Si\n0.000000 0.462269 0.879224 Si\n0.000000 0.537731 0.120776 Si\n0.000000 0.962270 0.620776 Si\n0.000000 0.037731 0.379224 Si\n0.000000 0.370433 0.602715 Si\n0.000000 0.629567 0.397285 Si\n0.000000 0.870434 0.897285 Si\n0.500000 0.374357 0.595715 Si\n0.500000 0.625644 0.404285 Si\n0.345031 0.168223 0.817724 Si\n0.500000 0.874357 0.904285 Si\n0.500000 0.462999 0.877065 Si\n0.500000 0.537001 0.122935 Si\n0.500000 0.962999 0.622935 Si\n0.000000 0.129567 0.102715 Si\n0.345031 0.331777 0.317725 Si\n0.654969 0.831778 0.182275 Si\n0.345031 0.831778 0.182275 Si\n0.654969 0.168223 0.817724 Si\n0.654969 0.668223 0.682275 Si\n0.500000 0.125643 0.095715 Si\n0.345031 0.668223 0.682275 Si\n",
"nsites": 48,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 4.991593221353005,
"density_atomic": 0.07563423031699588,
"volume": 634.6332844113552,
"volume_molar": 7.962189520221448,
"formula_full": "Ti12 Mn12 Si24",
"formula_reduced": "TiMnSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4386831936781608,
"spacegroup": 55
},
{
"id": "jvasp-111728",
"created_at": "2022-09-04T14:38:52.179970Z",
"updated_at": "2022-09-04T14:38:52.179979Z",
"structure_string": "Ti3 Mn3 Sn12\n1.0\n5.637991 0.000000 0.000000\n-2.818995 4.882644 -0.000000\n0.000000 0.000000 14.137960\nTi Mn Sn\n3 3 12\ndirect\n0.500000 -0.000000 0.500000 Ti\n0.000000 0.500000 0.166667 Ti\n0.500000 0.500000 0.833333 Ti\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.166667 Mn\n0.000000 0.000000 0.833333 Mn\n0.500000 0.500000 0.217586 Sn\n0.000000 0.500000 0.782414 Sn\n0.000000 0.500000 0.550919 Sn\n0.500000 -0.000000 0.884252 Sn\n0.832989 0.167011 0.333333 Sn\n0.832989 0.665977 0.000000 Sn\n0.334022 0.167011 0.666667 Sn\n0.500000 -0.000000 0.115748 Sn\n0.665978 0.832988 0.666667 Sn\n0.167011 0.334022 0.000000 Sn\n0.167012 0.832988 0.333333 Sn\n0.500000 0.500000 0.449081 Sn\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Ti",
"density": 7.393757750380937,
"density_atomic": 0.046249422878912365,
"volume": 389.1940456668311,
"volume_molar": 13.021007366441808,
"formula_full": "Ti3 Mn3 Sn12",
"formula_reduced": "TiMnSn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7853837291187742,
"spacegroup": 180
},
{
"id": "jvasp-42437",
"created_at": "2022-09-04T14:37:29.529228Z",
"updated_at": "2022-09-04T14:37:29.529265Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.706343 -0.028169 -0.047890\n-0.742167 6.665209 0.047890\n-1.443402 1.297068 5.266675\nTi Mn V O\n1 1 4 12\ndirect\n0.913830 0.913831 0.250000 Ti\n0.084817 0.084817 0.750001 Mn\n0.197511 0.604811 0.762741 V\n0.389040 0.801124 0.261216 V\n0.604811 0.197510 0.737260 V\n0.801123 0.389041 0.238785 V\n0.817173 0.027701 0.859604 O\n0.616018 0.331365 0.421947 O\n0.634168 0.920402 0.248037 O\n0.668861 0.386302 0.925137 O\n0.331365 0.616018 0.078054 O\n0.182037 0.969899 0.122821 O\n0.386302 0.668861 0.574864 O\n0.920402 0.634168 0.251964 O\n0.097485 0.357455 0.774121 O\n0.027702 0.817173 0.640397 O\n0.357455 0.097485 0.725880 O\n0.969899 0.182037 0.377180 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5307764629566396,
"density_atomic": 0.07676669604243369,
"volume": 234.47667970561466,
"volume_molar": 7.844730945136926,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665903020817368,
"spacegroup": 5
}
]
}