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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4051",
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"results": [
{
"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,
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"elements": [
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"Mn",
"Si"
],
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"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",
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},
{
"id": "jvasp-79210",
"created_at": "2022-09-04T14:37:12.395681Z",
"updated_at": "2022-09-04T14:37:12.395700Z",
"structure_string": "Ti2 Mn1 Si1\n1.0\n-3.007021 -3.007021 -0.000000\n-3.007021 0.000000 -3.007021\n-0.000000 -3.007021 -3.007021\nTi Mn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Si\n",
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"Mn",
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"volume": 54.38002199213054,
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"formula_full": "Ti2 Mn1 Si1",
"formula_reduced": "Ti2MnSi",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-37059",
"created_at": "2022-09-04T14:38:02.526255Z",
"updated_at": "2022-09-04T14:38:02.526288Z",
"structure_string": "Ti2 Mn1 Sn1\n1.0\n3.160014 3.160014 -0.000000\n3.160014 -0.000000 -3.160014\n0.000000 3.160014 -3.160014\nTi Mn Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.499999 0.499999 0.499999 Mn\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Ti",
"density": 7.0879513371283425,
"density_atomic": 0.06338156749380679,
"volume": 63.109830794116164,
"volume_molar": 9.501407109548753,
"formula_full": "Ti2 Mn1 Sn1",
"formula_reduced": "Ti2MnSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0545714020114945,
"spacegroup": 216
},
{
"id": "jvasp-110046",
"created_at": "2022-09-04T14:38:16.633620Z",
"updated_at": "2022-09-04T14:38:16.633635Z",
"structure_string": "Ti2 Mn1 Tc1\n1.0\n3.720786 -0.000000 2.148197\n1.240262 3.507991 2.148197\n-0.000000 -0.000000 4.296394\nTi Mn Tc\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Tc"
],
"chemical_system": "Mn-Tc-Ti",
"density": 7.363406881163114,
"density_atomic": 0.07132844019815902,
"volume": 56.07861308739567,
"volume_molar": 8.442832540946872,
"formula_full": "Ti2 Mn1 Tc1",
"formula_reduced": "Ti2MnTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.237291352011495,
"spacegroup": 225
},
{
"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"
],
"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
},
{
"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-12235",
"created_at": "2022-09-04T14:38:10.946285Z",
"updated_at": "2022-09-04T14:38:10.946305Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n4.600812 0.021729 3.041703\n1.646598 4.296121 3.041703\n0.031439 0.021729 5.515291\nTi Mn O\n2 2 6\ndirect\n0.499670 0.499670 0.499669 Ti\n-0.000330 -0.000330 -0.000330 Ti\n0.780329 0.780329 0.780327 Mn\n0.280329 0.280329 0.280328 Mn\n0.611187 0.218517 0.856656 O\n0.218517 0.856657 0.611186 O\n0.856657 0.611187 0.218516 O\n0.356657 0.718517 0.111186 O\n0.111187 0.356657 0.718516 O\n0.718517 0.111187 0.356656 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.628226087398838,
"density_atomic": 0.09241123749376803,
"volume": 108.21194771549698,
"volume_molar": 6.516675810564832,
"formula_full": "Ti2 Mn2 O6",
"formula_reduced": "TiMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.7498672149425283,
"spacegroup": 161
},
{
"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-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"
],
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"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-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,
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"elements": [
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"Mn",
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],
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"density": 3.8464286180701177,
"density_atomic": 0.06562853966336282,
"volume": 457.11820122591456,
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"formula_full": "Ti2 Mn4 P24",
"formula_reduced": "Ti(MnP6)2",
"formula_anonymous": "AB2C12",
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"spacegroup": 15
},
{
"id": "jvasp-44636",
"created_at": "2022-09-04T14:38:34.307182Z",
"updated_at": "2022-09-04T14:38:34.307210Z",
"structure_string": "Ti2 Mn6 O16\n1.0\n2.853628 -4.942630 -0.000000\n2.853628 4.942630 -0.000000\n-0.000000 0.000000 8.967880\nTi Mn O\n2 6 16\ndirect\n0.666667 0.333333 0.504722 Ti\n0.333333 0.666667 0.004722 Ti\n0.335894 0.167947 0.786684 Mn\n0.832054 0.664106 0.786684 Mn\n0.832054 0.167947 0.786684 Mn\n0.167947 0.832054 0.286684 Mn\n0.167947 0.335894 0.286684 Mn\n0.664106 0.832054 0.286684 Mn\n0.165259 0.330518 0.899441 O\n0.333333 0.666667 0.397228 O\n0.481102 0.962204 0.166442 O\n0.037796 0.518898 0.166442 O\n0.834741 0.165259 0.399441 O\n0.165259 0.834741 0.899441 O\n0.962204 0.481102 0.666442 O\n0.000000 0.000000 0.682508 O\n0.834741 0.669482 0.399441 O\n0.000000 0.000000 0.182508 O\n0.481102 0.518898 0.166442 O\n0.666667 0.333333 0.897228 O\n0.518898 0.481102 0.666442 O\n0.330518 0.165259 0.399441 O\n0.518898 0.037796 0.666442 O\n0.669482 0.834741 0.899441 O\n",
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"elements": [
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"Mn",
"O"
],
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"density": 4.472453326749668,
"density_atomic": 0.09487155068352313,
"volume": 252.97362409580825,
"volume_molar": 6.347678220301187,
"formula_full": "Ti2 Mn6 O16",
"formula_reduced": "TiMn3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4656890047892723,
"spacegroup": 186
},
{
"id": "jvasp-75588",
"created_at": "2022-09-04T14:35:51.781326Z",
"updated_at": "2022-09-04T14:35:51.781344Z",
"structure_string": "Ti2 Mo1 As1\n1.0\n-0.000000 3.136402 3.136402\n3.136402 0.000000 3.136402\n3.136402 3.136402 -0.000000\nTi Mo As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Mo\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
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"elements": [
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"Mo",
"As"
],
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"density": 7.174256713525283,
"density_atomic": 0.06482385124458884,
"volume": 61.70568275722279,
"volume_molar": 9.290007681397514,
"formula_full": "Ti2 Mo1 As1",
"formula_reduced": "Ti2MoAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.939406079166667,
"spacegroup": 216
}
]
}