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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=982",
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"results": [
{
"id": "jvasp-118774",
"created_at": "2022-09-04T14:38:53.626752Z",
"updated_at": "2022-09-04T14:38:53.626780Z",
"structure_string": "Sr2 Ti1 N2\n1.0\n-1.877723 1.877723 6.935076\n1.877723 -1.877723 6.935076\n1.877723 1.877723 -6.935076\nSr Ti N\n2 1 2\ndirect\n0.660139 0.660139 0.000000 Sr\n0.339861 0.339861 0.000000 Sr\n0.000000 0.000000 0.000000 Ti\n0.861853 0.861853 0.000000 N\n0.138148 0.138148 0.000000 N\n",
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"density": 4.263407295012725,
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"volume": 97.80797511605654,
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{
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"updated_at": "2022-09-04T14:36:12.534732Z",
"structure_string": "Sr2 Ti1 Be2\n1.0\n-2.967160 2.967160 3.767261\n2.967160 -2.967160 3.767261\n2.967160 2.967160 -3.767261\nSr Ti Be\n2 1 2\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Ti\n0.637143 0.637143 0.000000 Be\n0.362857 0.362857 0.000000 Be\n",
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"volume": 132.66844301581887,
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"formula_full": "Sr2 Ti1 Be2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
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"created_at": "2022-09-04T14:36:09.725962Z",
"updated_at": "2022-09-04T14:36:09.725986Z",
"structure_string": "Sr2 Ti1 Be1\n1.0\n-2.467498 2.467498 4.517713\n2.467498 -2.467498 4.517713\n2.467498 2.467498 -4.517713\nSr Ti Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Ti\n0.750000 0.250000 0.500000 Be\n",
"nsites": 4,
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"elements": [
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"formula_full": "Sr2 Ti1 Be1",
"formula_reduced": "Sr2TiBe",
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"spacegroup": 139
},
{
"id": "jvasp-50031",
"created_at": "2022-09-04T14:37:18.068251Z",
"updated_at": "2022-09-04T14:37:18.068265Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n3.849566 -0.002357 -0.000044\n-1.920324 7.512245 0.004905\n-0.000754 -1.496625 9.197391\nSr Ti N O\n2 6 2 11\ndirect\n0.459619 0.916426 0.211459 Sr\n0.553515 0.104223 0.753366 Sr\n0.878354 0.753872 0.900003 Ti\n0.835562 0.668319 0.571837 Ti\n0.768756 0.534729 0.237503 Ti\n0.237550 0.472305 0.768372 Ti\n0.165726 0.328659 0.433542 Ti\n0.123442 0.244110 0.078896 Ti\n0.767533 0.532269 0.751977 N\n0.159822 0.316876 0.902219 N\n0.127937 0.253079 0.612328 O\n0.637636 0.272493 0.124326 O\n0.702378 0.401957 0.429114 O\n0.240644 0.478499 0.244753 O\n0.938956 0.875101 0.711006 O\n0.367410 0.732007 0.897056 O\n0.835529 0.668236 0.091746 O\n0.873485 0.744212 0.382347 O\n0.063717 0.124624 0.307069 O\n0.306000 0.609200 0.566251 O\n-0.000868 0.995476 0.012988 O\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "N-O-Sr-Ti",
"density": 4.1609429647302285,
"density_atomic": 0.0789578237620847,
"volume": 265.9647771356654,
"volume_molar": 7.6270348814905065,
"formula_full": "Sr2 Ti6 N2 O11",
"formula_reduced": "Sr2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.39772322,
"spacegroup": 8
},
{
"id": "jvasp-43509",
"created_at": "2022-09-04T14:37:09.875919Z",
"updated_at": "2022-09-04T14:37:09.875938Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n-3.847129 -0.000569 0.000840\n1.922661 7.548528 -0.005274\n-0.001983 -1.440141 -9.184029\nSr Ti N O\n2 6 2 11\ndirect\n0.553896 0.111131 0.754208 Sr\n0.455087 0.913520 0.221582 Sr\n0.120279 0.243891 0.085002 Ti\n0.164483 0.332331 0.439723 Ti\n0.241023 0.485383 0.755439 Ti\n0.766506 0.536331 0.234267 Ti\n0.833280 0.669888 0.565646 Ti\n0.886006 0.775352 0.892447 Ti\n0.293953 0.591237 0.580533 N\n0.932151 0.867636 0.716414 N\n0.833902 0.671136 0.096063 O\n0.357413 0.718154 0.893970 O\n0.237543 0.478413 0.241290 O\n0.753654 0.510639 0.767961 O\n0.065214 0.133777 0.299081 O\n0.636357 0.276048 0.116161 O\n0.151498 0.306334 0.903479 O\n0.122152 0.247669 0.616552 O\n0.872465 0.748208 0.382137 O\n0.696847 0.397040 0.427168 O\n0.996543 -0.003593 0.019527 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"chemical_system": "N-O-Sr-Ti",
"density": 4.149121659844341,
"density_atomic": 0.07873350333382372,
"volume": 266.72254009784996,
"volume_molar": 7.648765144447603,
"formula_full": "Sr2 Ti6 N2 O11",
"formula_reduced": "Sr2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.398317981904761,
"spacegroup": 8
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{
"id": "jvasp-89948",
"created_at": "2022-09-04T14:35:42.011569Z",
"updated_at": "2022-09-04T14:35:42.011598Z",
"structure_string": "Sr2 Ti2 Sb2 O1 F2\n1.0\n4.110878 -0.000000 -0.000000\n-0.000000 4.110878 -0.000000\n-2.055438 -2.055438 10.524532\nSr Ti Sb O F\n2 2 2 1 2\ndirect\n0.316921 0.316921 0.633844 Sr\n0.683079 0.683079 0.366156 Sr\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.903620 0.903620 0.807239 Sb\n0.096380 0.096380 0.192761 Sb\n0.500000 0.500000 0.000000 O\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
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"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb-Sr-Ti",
"density": 5.307623586093512,
"density_atomic": 0.05060233296718624,
"volume": 177.8574123417624,
"volume_molar": 11.900915248127271,
"formula_full": "Sr2 Ti2 Sb2 O1 F2",
"formula_reduced": "Sr2Ti2Sb2OF2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.2945517279629626,
"spacegroup": 139
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{
"id": "jvasp-90402",
"created_at": "2022-09-04T14:35:47.230071Z",
"updated_at": "2022-09-04T14:35:47.230096Z",
"structure_string": "Sr2 Ti2 Bi2 O1 F2\n1.0\n4.122653 -0.000000 0.000000\n-0.000000 4.122653 0.000000\n-2.061327 -2.061327 10.847176\nSr Ti Bi O F\n2 2 2 1 2\ndirect\n0.314797 0.314797 0.629596 Sr\n0.685202 0.685202 0.370405 Sr\n-0.000000 0.500000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.901766 0.901766 0.803535 Bi\n0.098233 0.098233 0.196465 Bi\n0.500000 0.500000 -0.000000 O\n0.749999 0.250000 0.500000 F\n0.250000 0.749999 0.500000 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
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],
"chemical_system": "Bi-F-O-Sr-Ti",
"density": 6.691559291209207,
"density_atomic": 0.04881713168530675,
"volume": 184.36150771858786,
"volume_molar": 12.33612166896847,
"formula_full": "Sr2 Ti2 Bi2 O1 F2",
"formula_reduced": "Sr2Ti2Bi2OF2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.1203124390740735,
"spacegroup": 139
},
{
"id": "jvasp-89957",
"created_at": "2022-09-04T14:35:41.981329Z",
"updated_at": "2022-09-04T14:35:41.981359Z",
"structure_string": "Sr2 Ti2 As2 O1 F2\n1.0\n4.053854 -0.000000 0.000000\n-0.000000 4.053854 0.000000\n-2.026928 -2.026928 9.748717\nSr Ti As O F\n2 2 2 1 2\ndirect\n0.323408 0.323408 0.646817 Sr\n0.676591 0.676591 0.353183 Sr\n-0.000000 0.499999 -0.000000 Ti\n0.499999 -0.000000 -0.000000 Ti\n0.907258 0.907258 0.814520 As\n0.092740 0.092740 0.185480 As\n0.499999 0.499999 -0.000000 O\n0.749999 0.250000 0.500000 F\n0.250000 0.749999 0.500000 F\n",
"nsites": 9,
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"elements": [
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"As",
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],
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"density": 4.921396998824074,
"density_atomic": 0.056177038318987835,
"volume": 160.20780499135,
"volume_molar": 10.719932805650448,
"formula_full": "Sr2 Ti2 As2 O1 F2",
"formula_reduced": "Sr2Ti2As2OF2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.4641440946296296,
"spacegroup": 139
},
{
"id": "jvasp-94848",
"created_at": "2022-09-04T14:36:15.234786Z",
"updated_at": "2022-09-04T14:36:15.234811Z",
"structure_string": "Sr2 Tc1 O4\n1.0\n3.865749 -0.000000 0.000000\n-0.000000 3.865749 0.000000\n-1.932875 -1.932875 6.494062\nSr Tc O\n2 1 4\ndirect\n0.648950 0.648950 0.297897 Sr\n0.351052 0.351052 0.702102 Sr\n0.000000 0.000000 0.000000 Tc\n0.500000 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.836973 0.836973 0.673943 O\n0.163029 0.163029 0.326056 O\n",
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"elements": [
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],
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"density": 5.7703393217006385,
"density_atomic": 0.0721297297459627,
"volume": 97.04736208847102,
"volume_molar": 8.349041069763715,
"formula_full": "Sr2 Tc1 O4",
"formula_reduced": "Sr2TcO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-97336",
"created_at": "2022-09-04T14:35:43.240860Z",
"updated_at": "2022-09-04T14:35:43.240878Z",
"structure_string": "Sr8 Ta4 N12\n1.0\n6.011381 0.000000 0.244868\n3.005690 5.643799 0.122434\n0.017957 0.000000 12.599829\nSr Ta N\n8 4 12\ndirect\n0.846562 0.767824 0.076776 Sr\n0.056321 0.403863 0.358643 Sr\n0.943679 0.596137 0.641357 Sr\n0.460184 0.596137 0.858643 Sr\n0.614387 0.232176 0.576776 Sr\n0.153438 0.232176 0.923224 Sr\n0.385613 0.767824 0.423224 Sr\n0.539816 0.403863 0.141357 Sr\n0.768150 0.997306 0.836441 Ta\n0.231850 0.002694 0.163558 Ta\n0.765455 0.002694 0.336442 Ta\n0.234545 0.997306 0.663558 Ta\n0.500456 0.999088 0.750000 N\n0.804181 0.812889 0.460303 N\n0.617070 0.187111 0.960304 N\n0.004986 0.326825 0.125538 N\n0.668189 0.326825 0.374462 N\n0.995014 0.673175 0.874462 N\n0.331811 0.673175 0.625538 N\n0.087008 0.825984 0.250000 N\n0.912992 0.174016 0.750000 N\n0.499544 0.000912 0.250000 N\n0.382930 0.812889 0.039696 N\n0.195819 0.187111 0.539697 N\n",
"nsites": 24,
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],
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"density": 6.18776507688221,
"density_atomic": 0.05614692949499563,
"volume": 427.44991072288497,
"volume_molar": 10.725681375927694,
"formula_full": "Sr8 Ta4 N12",
"formula_reduced": "Sr2TaN3",
"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-120347",
"created_at": "2022-09-04T14:38:53.747463Z",
"updated_at": "2022-09-04T14:38:53.747490Z",
"structure_string": "Sr2 Ta1 N2\n1.0\n-1.863524 1.863524 7.054525\n1.863524 -1.863524 7.054525\n1.863524 1.863524 -7.054525\nSr Ta N\n2 1 2\ndirect\n0.660064 0.660064 0.000000 Sr\n0.339936 0.339936 0.000000 Sr\n0.000000 0.000000 0.000000 Ta\n0.859414 0.859414 0.000000 N\n0.140586 0.140586 0.000000 N\n",
"nsites": 5,
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"volume": 97.99360816258742,
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"formula_full": "Sr2 Ta1 N2",
"formula_reduced": "Sr2TaN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.228183663999999,
"spacegroup": 139
},
{
"id": "jvasp-101116",
"created_at": "2022-09-04T14:36:59.891655Z",
"updated_at": "2022-09-04T14:36:59.891680Z",
"structure_string": "Sr2 Ta1 Mn1 O6\n1.0\n4.874027 -0.000000 2.814021\n1.624676 4.595277 2.814021\n-0.000000 -0.000000 5.628041\nSr Ta Mn O\n2 1 1 6\ndirect\n0.750001 0.750001 0.749999 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500000 0.499999 Mn\n0.750218 0.750218 0.249782 O\n0.249783 0.750218 0.249782 O\n0.750218 0.249783 0.249782 O\n0.249783 0.249783 0.750217 O\n0.750218 0.249783 0.750216 O\n0.249783 0.750218 0.750216 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Mn-O-Sr-Ta",
"density": 6.68043816743862,
"density_atomic": 0.07933103516334966,
"volume": 126.0540717691268,
"volume_molar": 7.591153635648237,
"formula_full": "Sr2 Ta1 Mn1 O6",
"formula_reduced": "Sr2TaMnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.613772006137931,
"spacegroup": 225
}
]
}