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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3530",
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"results": [
{
"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",
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"volume": 56.246300885719045,
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"formula_full": "Ti2 Mn1 Os1",
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},
{
"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": [
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"Mn",
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],
"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",
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"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-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-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-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"
],
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"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-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",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh-Ti",
"density": 7.54932019858632,
"density_atomic": 0.07171466052943928,
"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-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,
"nelements": 3,
"elements": [
"Ti",
"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",
"energy_above_hull": 3.963176102011494,
"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-39655",
"created_at": "2022-09-04T14:37:42.298210Z",
"updated_at": "2022-09-04T14:37:42.298229Z",
"structure_string": "Ti1 Mn2 Si1\n1.0\n0.000000 2.891954 2.891954\n2.891954 -0.000000 2.891954\n2.891954 2.891954 0.000000\nTi Mn Si\n1 2 1\ndirect\n0.749998 0.749998 0.749998 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 6.379071813636646,
"density_atomic": 0.08269054485780472,
"volume": 48.373124241452636,
"volume_molar": 7.2827440795749006,
"formula_full": "Ti1 Mn2 Si1",
"formula_reduced": "TiMn2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.736800354022988,
"spacegroup": 225
},
{
"id": "jvasp-37047",
"created_at": "2022-09-04T14:38:07.452778Z",
"updated_at": "2022-09-04T14:38:07.452807Z",
"structure_string": "Ti2 Mn1 Si1\n1.0\n3.006863 3.006863 -0.000000\n3.006863 0.000000 -3.006863\n0.000000 3.006863 -3.006863\nTi Mn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 5.459370393999089,
"density_atomic": 0.07356802082955614,
"volume": 54.37145046034716,
"volume_molar": 8.185813199939435,
"formula_full": "Ti2 Mn1 Si1",
"formula_reduced": "Ti2MnSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.669318127011494,
"spacegroup": 216
},
{
"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,
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"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
}
]
}