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{
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"results": [
{
"id": "jvasp-21011",
"created_at": "2022-09-04T14:38:15.300250Z",
"updated_at": "2022-09-04T14:38:15.300273Z",
"structure_string": "Sr3 P2 O8\n1.0\n5.030524 -0.001779 5.321623\n2.115981 4.563858 5.321623\n-0.002788 -0.001779 7.322967\nSr P O\n3 2 8\ndirect\n0.206103 0.206104 0.206104 Sr\n0.793895 0.793897 0.793897 Sr\n0.000000 0.000000 0.000000 Sr\n0.406700 0.406700 0.406701 P\n0.593299 0.593300 0.593300 P\n0.277062 0.277063 0.745880 O\n0.277062 0.745880 0.277063 O\n0.745879 0.277063 0.277063 O\n0.254120 0.722937 0.722937 O\n0.722936 0.722937 0.254120 O\n0.670867 0.670868 0.670868 O\n0.329132 0.329132 0.329132 O\n0.722936 0.254120 0.722938 O\n",
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{
"id": "jvasp-26131",
"created_at": "2022-09-04T14:37:39.433581Z",
"updated_at": "2022-09-04T14:37:39.433609Z",
"structure_string": "Ba3 Nb2 O8\n1.0\n5.656122 0.013032 5.693233\n2.355726 5.142222 5.693233\n0.020253 0.013032 8.025223\nBa Nb O\n3 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.800285 0.800284 0.800285 Ba\n0.199715 0.199715 0.199715 Ba\n0.405952 0.405952 0.405952 Nb\n0.594048 0.594047 0.594048 Nb\n0.267186 0.267185 0.770896 O\n0.770896 0.267185 0.267186 O\n0.267186 0.770895 0.267185 O\n0.732814 0.732814 0.229104 O\n0.229105 0.732814 0.732814 O\n0.732814 0.229104 0.732814 O\n0.319588 0.319588 0.319588 O\n0.680412 0.680411 0.680411 O\n",
"nsites": 13,
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],
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"density_atomic": 0.05595459623452678,
"volume": 232.33122700970094,
"volume_molar": 10.76254886150718,
"formula_full": "Ba3 Nb2 O8",
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"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5576688238461536,
"spacegroup": 166
},
{
"id": "jvasp-29384",
"created_at": "2022-09-04T14:37:50.803249Z",
"updated_at": "2022-09-04T14:37:50.803278Z",
"structure_string": "P4 Pb6 O16\n1.0\n5.521490 0.000000 0.000000\n-2.760745 6.759805 -1.579915\n0.000000 -0.014350 9.548499\nP Pb O\n4 6 16\ndirect\n0.356322 0.212646 0.452049 P\n0.643676 0.787353 0.547951 P\n0.856322 0.212646 0.952049 P\n0.143676 0.787353 0.047951 P\n0.250000 -0.000000 0.750000 Pb\n0.433927 0.367854 0.144978 Pb\n0.750000 -0.000000 0.250000 Pb\n0.066072 0.632145 0.355022 Pb\n0.933927 0.367854 0.644978 Pb\n0.566072 0.632145 0.855022 Pb\n0.741979 0.983962 0.914318 O\n0.895608 0.291217 0.118809 O\n0.258019 0.016038 0.085683 O\n0.834846 0.709261 0.612017 O\n0.604390 0.708783 0.381192 O\n0.165152 0.290738 0.387983 O\n0.395608 0.291217 0.618809 O\n0.125584 0.290738 0.887983 O\n0.334846 0.709261 0.112017 O\n0.374414 0.709261 0.612017 O\n0.665152 0.290738 0.887983 O\n0.758019 0.016038 0.585683 O\n0.625584 0.290738 0.387983 O\n0.874414 0.709261 0.112017 O\n0.104390 0.708783 0.881192 O\n0.241979 0.983962 0.414318 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "O-P-Pb",
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"density_atomic": 0.07297941130624691,
"volume": 356.26486339955505,
"volume_molar": 8.251835212439588,
"formula_full": "P4 Pb6 O16",
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"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.300963189230769,
"spacegroup": 166
},
{
"id": "jvasp-20930",
"created_at": "2022-09-04T14:37:59.176119Z",
"updated_at": "2022-09-04T14:37:59.176137Z",
"structure_string": "Ba3 P2 O8\n1.0\n5.259608 -0.001801 5.712720\n2.228122 4.764342 5.712720\n-0.002832 -0.001801 7.765220\nBa P O\n3 2 8\ndirect\n0.208328 0.208328 0.208328 Ba\n0.791672 0.791672 0.791672 Ba\n0.000000 0.000000 0.000000 Ba\n0.407725 0.407725 0.407724 P\n0.592276 0.592275 0.592275 P\n0.282764 0.282764 0.733266 O\n0.282764 0.733266 0.282764 O\n0.733266 0.282764 0.282763 O\n0.266734 0.717236 0.717236 O\n0.717236 0.717236 0.266734 O\n0.665442 0.665442 0.665442 O\n0.334558 0.334558 0.334558 O\n0.717236 0.266734 0.717236 O\n",
"nsites": 13,
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"elements": [
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"density": 5.132977264186866,
"density_atomic": 0.06676089261028027,
"volume": 194.72477811056373,
"volume_molar": 9.020461717242936,
"formula_full": "Ba3 P2 O8",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 166
},
{
"id": "jvasp-27065",
"created_at": "2022-09-04T14:37:58.706077Z",
"updated_at": "2022-09-04T14:37:58.706101Z",
"structure_string": "K6 Mn4 O16\n1.0\n0.000000 7.830516 0.017806\n5.735990 0.000000 0.000000\n0.000000 -3.607993 -9.012097\nK Mn O\n6 4 16\ndirect\n0.343063 0.250000 0.953479 K\n0.656938 0.750000 0.046521 K\n0.156930 0.250000 0.546524 K\n0.249918 0.750000 0.249917 K\n0.843070 0.750000 0.453476 K\n0.750082 0.250000 0.750083 K\n0.564773 0.250000 0.342612 Mn\n0.435228 0.750000 0.657388 Mn\n0.064834 0.750000 0.842582 Mn\n0.935167 0.250000 0.157418 Mn\n0.460273 0.517071 0.761318 O\n0.960234 0.482932 0.261349 O\n0.727295 0.250000 0.028445 O\n0.039767 0.982932 0.738651 O\n0.039767 0.517068 0.738651 O\n0.539727 0.017071 0.238682 O\n0.460273 0.982929 0.761318 O\n0.411277 0.250000 0.419315 O\n0.227379 0.750000 0.528390 O\n0.772622 0.250000 0.471610 O\n0.588724 0.750000 0.580685 O\n0.088617 0.250000 0.080665 O\n0.960234 0.017068 0.261349 O\n0.272706 0.750000 0.971555 O\n0.539727 0.482929 0.238682 O\n0.911384 0.750000 0.919335 O\n",
"nsites": 26,
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"elements": [
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"Mn",
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],
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"density": 2.916631971131825,
"density_atomic": 0.06429012504187004,
"volume": 404.41669670213054,
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"formula_full": "K6 Mn4 O16",
"formula_reduced": "K3Mn2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.2203397294429705,
"spacegroup": 166
},
{
"id": "jvasp-57724",
"created_at": "2022-09-04T14:37:57.419953Z",
"updated_at": "2022-09-04T14:37:57.419986Z",
"structure_string": "Ca3 P2 O8\n1.0\n4.869789 -0.006378 4.932160\n2.020479 4.430864 4.932160\n-0.009932 -0.006378 6.931158\nCa P O\n3 2 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.202655 0.202655 0.202655 Ca\n0.797346 0.797343 0.797345 Ca\n0.404979 0.404978 0.404979 P\n0.595022 0.595021 0.595022 P\n0.727440 0.727438 0.246175 O\n0.727440 0.246174 0.727439 O\n0.246175 0.727438 0.727439 O\n0.753826 0.272561 0.272561 O\n0.272562 0.272561 0.753826 O\n0.322900 0.322899 0.322899 O\n0.677102 0.677100 0.677101 O\n0.272562 0.753825 0.272561 O\n",
"nsites": 13,
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],
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"density": 3.4348249417959758,
"density_atomic": 0.08669412305864448,
"volume": 149.9524943715748,
"volume_molar": 6.946423295528701,
"formula_full": "Ca3 P2 O8",
"formula_reduced": "Ca3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.0255415584615384,
"spacegroup": 166
},
{
"id": "jvasp-11233",
"created_at": "2022-09-04T14:38:02.509845Z",
"updated_at": "2022-09-04T14:38:02.509866Z",
"structure_string": "Mg2 V3 O8\n1.0\n4.566973 -0.046204 -1.512195\n-0.843268 5.011850 -2.699884\n-0.110809 -0.073183 6.032191\nMg V O\n2 3 8\ndirect\n0.665762 0.733389 0.466774 Mg\n0.334236 0.266614 0.533227 Mg\n0.499999 0.999999 0.000001 V\n0.999998 0.710499 0.000001 V\n0.999998 0.289503 0.000001 V\n0.083084 0.385160 0.770321 O\n0.916915 0.614841 0.229681 O\n0.090660 0.895940 0.791880 O\n0.909339 0.104060 0.208121 O\n0.399847 0.346512 0.230356 O\n0.399847 0.883844 0.230357 O\n0.600153 0.116156 0.769645 O\n0.600152 0.653489 0.769645 O\n",
"nsites": 13,
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],
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"density": 4.022689087166565,
"density_atomic": 0.0955978161729379,
"volume": 135.98636998655704,
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"formula_full": "Mg2 V3 O8",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 12
},
{
"id": "jvasp-29344",
"created_at": "2022-09-04T14:37:52.283392Z",
"updated_at": "2022-09-04T14:37:52.283410Z",
"structure_string": "P4 Pb6 O16\n1.0\n5.744845 -0.000000 -0.000000\n-2.872422 6.742880 -1.544636\n-0.000000 0.028031 9.462418\nP Pb O\n4 6 16\ndirect\n0.644224 0.793852 0.552214 P\n0.850372 0.206148 0.947786 P\n0.149629 0.793852 0.052214 P\n0.355777 0.206148 0.447786 P\n0.624524 0.631619 0.850326 Pb\n0.712483 -0.000000 0.250000 Pb\n0.375477 0.368380 0.149674 Pb\n0.007096 0.631619 0.350326 Pb\n0.287517 -0.000000 0.750000 Pb\n-0.007096 0.368380 0.649674 Pb\n0.166383 0.270093 0.372658 O\n0.079970 0.711760 0.885195 O\n0.368210 0.288240 0.614805 O\n0.103710 0.270092 0.872658 O\n0.833618 0.729907 0.627342 O\n0.896291 0.729907 0.127342 O\n0.675208 0.294693 0.889750 O\n0.736544 0.021768 0.582544 O\n0.324793 0.705307 0.110250 O\n0.619486 0.294693 0.389750 O\n0.714777 0.978232 0.917455 O\n0.631791 0.711760 0.385195 O\n0.285224 0.021768 0.082544 O\n0.263457 0.978232 0.417455 O\n0.380515 0.705307 0.610250 O\n0.920031 0.288240 0.114805 O\n",
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],
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"density_atomic": 0.07088475751175513,
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"formula_full": "P4 Pb6 O16",
"formula_reduced": "P2Pb3O8",
"formula_anonymous": "A2B3C8",
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"spacegroup": 15
},
{
"id": "jvasp-30661",
"created_at": "2022-09-04T14:37:39.627756Z",
"updated_at": "2022-09-04T14:37:39.627800Z",
"structure_string": "Mg2 Sb3 O8\n1.0\n5.500673 0.249378 -1.255128\n-0.922673 5.483781 -2.954114\n0.150866 -0.359857 5.995848\nMg Sb O\n2 3 8\ndirect\n0.585505 0.706020 0.412040 Mg\n0.414496 0.293981 0.587962 Mg\n0.499998 0.000000 0.000002 Sb\n-0.000000 0.741523 -0.000000 Sb\n-0.000001 0.258476 -0.000001 Sb\n0.141173 0.401645 0.803290 O\n0.858827 0.598354 0.196711 O\n0.098642 0.893899 0.787799 O\n0.901359 0.106100 0.212202 O\n0.344913 0.372806 0.266811 O\n0.344913 0.894005 0.266812 O\n0.655088 0.105995 0.733187 O\n0.655088 0.627191 0.733187 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-9543",
"created_at": "2022-09-04T14:37:27.398484Z",
"updated_at": "2022-09-04T14:37:27.398511Z",
"structure_string": "Ca2 Cr3 O8\n1.0\n4.743615 -0.001871 -1.485069\n-0.871885 5.181929 -2.791506\n-0.003982 -0.038305 6.271711\nCa Cr O\n2 3 8\ndirect\n0.667099 0.726408 0.452815 Ca\n0.332903 0.273593 0.547184 Ca\n0.500002 0.999999 -0.000000 Cr\n1.000001 0.738721 -0.000000 Cr\n1.000000 0.261280 0.000000 Cr\n0.045651 0.399577 0.799156 O\n0.954352 0.600421 0.200843 O\n0.093563 0.901176 0.802353 O\n0.906439 0.098823 0.197646 O\n0.392405 0.321826 0.203048 O\n0.392406 0.881222 0.203048 O\n0.607598 0.118776 0.796951 O\n0.607598 0.678174 0.796951 O\n",
"nsites": 13,
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],
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"density_atomic": 0.08465322678695493,
"volume": 153.56768422681438,
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"formula_full": "Ca2 Cr3 O8",
"formula_reduced": "Ca2Cr3O8",
"formula_anonymous": "A2B3C8",
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"spacegroup": 12
},
{
"id": "jvasp-10566",
"created_at": "2022-09-04T14:37:15.257227Z",
"updated_at": "2022-09-04T14:37:15.257253Z",
"structure_string": "Ba3 As2 O8\n1.0\n5.427831 0.007704 5.759472\n2.291353 4.920479 5.759472\n0.012066 0.007704 7.914083\nBa As O\n3 2 8\ndirect\n0.794091 0.794089 0.794090 Ba\n0.205910 0.205909 0.205909 Ba\n0.000000 0.000000 0.000000 Ba\n0.592582 0.592580 0.592581 As\n0.407419 0.407418 0.407419 As\n0.672397 0.672396 0.672397 O\n0.327603 0.327603 0.327603 O\n0.726576 0.726575 0.243142 O\n0.726577 0.243141 0.726575 O\n0.243142 0.726575 0.726575 O\n0.273424 0.756858 0.273424 O\n0.273425 0.273423 0.756857 O\n0.756858 0.273423 0.273424 O\n",
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"density": 5.435338156941546,
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"volume": 210.74531694696373,
"volume_molar": 9.76259971665715,
"formula_full": "Ba3 As2 O8",
"formula_reduced": "Ba3(AsO4)2",
"formula_anonymous": "A2B3C8",
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"spacegroup": 166
},
{
"id": "jvasp-11306",
"created_at": "2022-09-04T14:37:09.913696Z",
"updated_at": "2022-09-04T14:37:09.913722Z",
"structure_string": "Zn2 Mo3 O8\n1.0\n4.810727 -0.359519 -2.169939\n-0.845442 5.024773 -2.706846\n-0.672336 0.185493 6.703577\nZn Mo O\n2 3 8\ndirect\n0.743005 0.700264 0.400527 Zn\n0.256992 0.299739 0.599479 Zn\n0.500007 0.999999 0.000001 Mo\n-0.000003 0.708838 0.000001 Mo\n-0.000003 0.291164 0.000001 Mo\n-0.011791 0.366972 0.733946 O\n0.011788 0.633028 0.266056 O\n0.021930 0.891519 0.783039 O\n0.978079 0.108483 0.216968 O\n0.448522 0.351398 0.206182 O\n0.448522 0.854784 0.206182 O\n0.551475 0.145207 0.793805 O\n0.551475 0.648596 0.793805 O\n",
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"elements": [
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],
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"formula_full": "Zn2 Mo3 O8",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 12
}
]
}