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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1116",
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"results": [
{
"id": "jvasp-41582",
"created_at": "2022-09-04T14:37:34.917646Z",
"updated_at": "2022-09-04T14:37:34.917668Z",
"structure_string": "Ti2 Mn1 Ru1\n1.0\n0.000000 3.027398 3.027398\n3.027398 -0.000000 3.027398\n3.027398 3.027398 0.000000\nTi Mn Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500001 Ti\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
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"elements": [
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"Mn",
"Ru"
],
"chemical_system": "Mn-Ru-Ti",
"density": 7.532971053115162,
"density_atomic": 0.07208110514640807,
"volume": 55.49304483991152,
"volume_molar": 8.35467318067347,
"formula_full": "Ti2 Mn1 Ru1",
"formula_reduced": "Ti2MnRu",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40090",
"created_at": "2022-09-04T14:37:44.613619Z",
"updated_at": "2022-09-04T14:37:44.613638Z",
"structure_string": "Ti2 Mn1 Rh1\n1.0\n0.000001 3.032549 3.032547\n3.032545 -0.000000 3.032548\n3.032542 3.032547 0.000003\nTi Mn Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.249999 0.249999 0.249999 Mn\n0.749999 0.749999 0.749999 Rh\n",
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"elements": [
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"Rh"
],
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"density": 7.54932019858632,
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"volume": 55.77660091353255,
"volume_molar": 8.39736354539094,
"formula_full": "Ti2 Mn1 Rh1",
"formula_reduced": "Ti2MnRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5442617270114942,
"spacegroup": 225
},
{
"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-79405",
"created_at": "2022-09-04T14:37:12.381465Z",
"updated_at": "2022-09-04T14:37:12.381494Z",
"structure_string": "Ti2 Mn1 Re1\n1.0\n0.000031 3.053913 3.053913\n3.053913 0.000031 3.053913\n3.053913 3.053913 0.000031\nTi Mn Re\n2 1 1\ndirect\n-0.000001 -0.000001 -0.000001 Ti\n0.500007 0.500007 0.500007 Ti\n0.249998 0.249998 0.249998 Mn\n0.749998 0.749998 0.749998 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Re"
],
"chemical_system": "Mn-Re-Ti",
"density": 9.820412484548111,
"density_atomic": 0.07022093799113867,
"volume": 56.9630670627722,
"volume_molar": 8.575990199333347,
"formula_full": "Ti2 Mn1 Re1",
"formula_reduced": "Ti2MnRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.618215477011495,
"spacegroup": 225
},
{
"id": "jvasp-77506",
"created_at": "2022-09-04T14:37:08.107605Z",
"updated_at": "2022-09-04T14:37:08.107640Z",
"structure_string": "Ti2 Mn1 Pt1\n1.0\n-8.212823 0.000001 -4.741677\n-5.460734 0.256131 -0.025083\n-4.678594 2.468358 -1.379790\nTi Mn Pt\n2 1 1\ndirect\n0.768823 -0.000001 -0.000000 Ti\n0.231177 -0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt-Ti",
"density": 9.470350337436598,
"density_atomic": 0.06597921699187144,
"volume": 60.625151106185385,
"volume_molar": 9.127329838942954,
"formula_full": "Ti2 Mn1 Pt1",
"formula_reduced": "Ti2MnPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.655873827011494,
"spacegroup": 71
},
{
"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-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-39725",
"created_at": "2022-09-04T14:37:41.136762Z",
"updated_at": "2022-09-04T14:37:41.136771Z",
"structure_string": "Ti2 Mn1 Os1\n1.0\n-0.000001 3.041038 3.041033\n3.041036 0.000000 3.041032\n3.041034 3.041034 0.000002\nTi Mn Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500001 Ti\n0.249999 0.250001 0.250000 Mn\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Os"
],
"chemical_system": "Mn-Os-Ti",
"density": 10.064326981368819,
"density_atomic": 0.071115787829802,
"volume": 56.246300885719045,
"volume_molar": 8.468078529077818,
"formula_full": "Ti2 Mn1 Os1",
"formula_reduced": "Ti2MnOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.324057227011494,
"spacegroup": 225
},
{
"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": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"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-56656",
"created_at": "2022-09-04T14:38:33.033431Z",
"updated_at": "2022-09-04T14:38:33.033461Z",
"structure_string": "Ti4 Mn2 O8\n1.0\n5.243260 0.000000 3.027197\n1.747753 4.943393 3.027197\n-0.000000 -0.000000 6.054395\nTi Mn O\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Ti\n0.500000 -0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.125000 0.125000 0.125000 Mn\n0.875000 0.874999 0.875001 Mn\n0.740018 0.740018 0.279945 O\n0.259981 0.259981 0.259982 O\n0.259981 0.259981 0.720056 O\n0.279944 0.740018 0.740019 O\n0.740018 0.279944 0.740018 O\n0.259981 0.720056 0.259982 O\n0.740018 0.740018 0.740019 O\n0.720056 0.259981 0.259982 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.543101580332654,
"density_atomic": 0.08921353575274935,
"volume": 156.9268596057023,
"volume_molar": 6.750254554073553,
"formula_full": "Ti4 Mn2 O8",
"formula_reduced": "Ti2MnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1293082725779966,
"spacegroup": 227
},
{
"id": "jvasp-30351",
"created_at": "2022-09-04T14:36:40.249643Z",
"updated_at": "2022-09-04T14:36:40.249661Z",
"structure_string": "Ti1 Mn5 O12\n1.0\n2.423885 4.210393 0.459609\n-2.454592 4.215986 0.229804\n0.416125 0.722827 9.105253\nTi Mn O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.145070 0.709862 0.499999 Mn\n0.666729 0.666542 -0.000000 Mn\n0.333271 0.333459 -0.000000 Mn\n0.854929 0.290140 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.038058 0.351983 0.889888 O\n0.313927 0.000000 0.110266 O\n0.609959 0.351983 0.110112 O\n0.801921 0.658926 0.601340 O\n0.125768 0.000001 0.625942 O\n0.198078 0.341076 0.398659 O\n0.539154 0.658925 0.398659 O\n0.686071 0.000002 0.889734 O\n0.390040 0.648019 0.889888 O\n-0.038058 0.648018 0.110111 O\n0.460845 0.341077 0.601340 O\n0.874230 0.000001 0.374058 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.60544022817352,
"density_atomic": 0.09702126977010933,
"volume": 185.52632884161144,
"volume_molar": 6.207031483167955,
"formula_full": "Ti1 Mn5 O12",
"formula_reduced": "TiMn5O12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.673375363346104,
"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,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"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
}
]
}