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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=987",
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"results": [
{
"id": "jvasp-114936",
"created_at": "2022-09-04T14:38:42.529870Z",
"updated_at": "2022-09-04T14:38:42.529901Z",
"structure_string": "Sr2 P1 F1\n1.0\n2.150804 1.241767 6.135699\n-2.150804 1.241767 6.135699\n0.000000 -2.483534 6.135699\nSr P F\n2 1 1\ndirect\n0.747239 0.747239 0.747233 Sr\n0.252763 0.252763 0.252761 Sr\n0.500001 0.500001 0.499997 P\n0.000000 0.000000 0.000000 F\n",
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"elements": [
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"density": 3.803511179011208,
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"volume": 98.32325474731331,
"volume_molar": 14.802912001741477,
"formula_full": "Sr2 P1 F1",
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{
"id": "jvasp-81841",
"created_at": "2022-09-04T14:37:12.257859Z",
"updated_at": "2022-09-04T14:37:12.257879Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n-9.561466 0.000000 -5.520315\n-6.326337 -0.405139 -0.083093\n-5.104950 3.049464 -2.198597\nSr Pd Pt\n2 1 1\ndirect\n0.755894 -0.000001 -0.000000 Sr\n0.244107 -0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000000 -0.000000 Pt\n",
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"elements": [
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],
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"density": 7.40032983641531,
"density_atomic": 0.037391831222393375,
"volume": 106.97523681601513,
"volume_molar": 16.105498348509432,
"formula_full": "Sr2 Pd1 Pt1",
"formula_reduced": "Sr2PdPt",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-101411",
"created_at": "2022-09-04T14:36:36.777788Z",
"updated_at": "2022-09-04T14:36:36.777808Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n4.511854 0.000000 2.604920\n1.503951 4.253817 2.604920\n-0.000000 -0.000000 5.209839\nSr Pd Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.499999 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Pd-Pt-Sr",
"density": 7.917283396919793,
"density_atomic": 0.04000385537692245,
"volume": 99.99036248660005,
"volume_molar": 15.053900938443228,
"formula_full": "Sr2 Pd1 Pt1",
"formula_reduced": "Sr2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5913924300000001,
"spacegroup": 225
},
{
"id": "jvasp-77262",
"created_at": "2022-09-04T14:38:04.608753Z",
"updated_at": "2022-09-04T14:38:04.608777Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n-7.231238 -3.475790 -9.850873\n-4.326824 -2.523175 -1.406360\n-2.822228 1.732457 -4.012382\nSr Pd Pt\n2 1 1\ndirect\n0.750122 -0.000123 -0.000124 Sr\n0.249877 0.000124 0.000124 Sr\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000001 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pd",
"Pt"
],
"chemical_system": "Pd-Pt-Sr",
"density": 7.939531155085759,
"density_atomic": 0.040116267179748435,
"volume": 99.71017448052312,
"volume_molar": 15.011717648146755,
"formula_full": "Sr2 Pd1 Pt1",
"formula_reduced": "Sr2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5936174300000001,
"spacegroup": 225
},
{
"id": "jvasp-2340",
"created_at": "2022-09-04T14:36:44.789791Z",
"updated_at": "2022-09-04T14:36:44.789813Z",
"structure_string": "Sr2 Pd1 O3\n1.0\n3.424040 0.000000 -0.900885\n-0.303021 3.839410 -1.151707\n0.004113 -0.012248 6.973039\nSr Pd O\n2 1 3\ndirect\n0.647186 0.647186 0.294371 Sr\n0.352813 0.352813 0.705628 Sr\n0.000000 0.000000 0.000000 Pd\n0.839360 0.839371 0.678720 O\n0.160639 0.160629 0.321279 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Pd",
"O"
],
"chemical_system": "O-Pd-Sr",
"density": 5.9739951909738815,
"density_atomic": 0.06547916590949124,
"volume": 91.63219959602901,
"volume_molar": 9.197033401928364,
"formula_full": "Sr2 Pd1 O3",
"formula_reduced": "Sr2PdO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0522748033333331,
"spacegroup": 71
},
{
"id": "jvasp-100445",
"created_at": "2022-09-04T14:36:40.543305Z",
"updated_at": "2022-09-04T14:36:40.543325Z",
"structure_string": "Sr2 Pd1 N2\n1.0\n3.675546 -0.000440 -1.039874\n-0.293752 3.663789 -1.039874\n0.005703 0.006178 7.035910\nSr Pd N\n2 1 2\ndirect\n0.149988 0.649989 0.799977 Sr\n0.850013 0.350012 0.200024 Sr\n0.500000 0.000000 0.500000 Pd\n0.648826 0.148826 0.797652 N\n0.351175 0.851175 0.202349 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "N-Pd-Sr",
"density": 5.424605246606982,
"density_atomic": 0.05274546727906082,
"volume": 94.79487542591033,
"volume_molar": 11.41736166282994,
"formula_full": "Sr2 Pd1 N2",
"formula_reduced": "Sr2PdN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.188930964,
"spacegroup": 139
},
{
"id": "jvasp-81458",
"created_at": "2022-09-04T14:37:16.163509Z",
"updated_at": "2022-09-04T14:37:16.163543Z",
"structure_string": "Sr2 Pd1 Au1\n1.0\n-12.038325 2.918464 -2.184498\n-8.757994 0.550512 1.207002\n-7.209412 4.930567 -1.475223\nSr Pd Au\n2 1 1\ndirect\n0.754907 -0.002979 -0.002980 Sr\n0.245095 0.002979 0.002978 Sr\n0.000000 0.000000 0.000000 Pd\n0.500001 -0.000000 -0.000001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pd",
"Au"
],
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"density": 7.643745429820728,
"density_atomic": 0.03846983340191021,
"volume": 103.9775753175313,
"volume_molar": 15.654189861141882,
"formula_full": "Sr2 Pd1 Au1",
"formula_reduced": "Sr2PdAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0588439724999999,
"spacegroup": 71
},
{
"id": "jvasp-118125",
"created_at": "2022-09-04T14:38:50.804327Z",
"updated_at": "2022-09-04T14:38:50.804340Z",
"structure_string": "Sr2 P1 Cl1\n1.0\n2.203536 1.272212 7.044329\n-2.203536 1.272212 7.044329\n0.000000 -2.544424 7.044329\nSr P Cl\n2 1 1\ndirect\n0.759716 0.759716 0.759716 Sr\n0.240284 0.240284 0.240284 Sr\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"P",
"Cl"
],
"chemical_system": "Cl-P-Sr",
"density": 3.3868464020336817,
"density_atomic": 0.033758992099368355,
"volume": 118.48694973552963,
"volume_molar": 17.838627238260106,
"formula_full": "Sr2 P1 Cl1",
"formula_reduced": "Sr2PCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0273255468749999,
"spacegroup": 166
},
{
"id": "jvasp-12348",
"created_at": "2022-09-04T14:38:14.382718Z",
"updated_at": "2022-09-04T14:38:14.382742Z",
"structure_string": "Sr4 Pb2 O8\n1.0\n3.549334 0.000000 0.000000\n0.000000 6.214802 0.000000\n0.000000 0.000000 10.161647\nSr Pb O\n4 2 8\ndirect\n0.499999 0.424387 0.818959 Sr\n0.499999 0.575613 0.181041 Sr\n0.499999 0.924387 0.681041 Sr\n0.499999 0.075613 0.318959 Sr\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.133683 0.804805 O\n0.000000 0.866317 0.195195 O\n0.000000 0.633682 0.695196 O\n0.000000 0.366317 0.304805 O\n0.499999 0.272774 0.551461 O\n0.499999 0.727226 0.448540 O\n0.499999 0.227226 0.051461 O\n0.499999 0.772774 0.948540 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 6.614569555173185,
"density_atomic": 0.06245824334527483,
"volume": 224.14975590342382,
"volume_molar": 9.641867009786138,
"formula_full": "Sr4 Pb2 O8",
"formula_reduced": "Sr2PbO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1576898009523808,
"spacegroup": 55
},
{
"id": "jvasp-53233",
"created_at": "2022-09-04T14:36:58.433224Z",
"updated_at": "2022-09-04T14:36:58.433253Z",
"structure_string": "Sr4 Pb6\n1.0\n8.399256 0.000000 0.000000\n0.000000 8.399256 0.000000\n0.000000 0.000000 4.933272\nSr Pb\n4 6\ndirect\n0.672397 0.172397 0.000000 Sr\n0.172397 0.327603 0.000000 Sr\n0.827603 0.672397 0.000000 Sr\n0.327603 0.827603 0.000000 Sr\n0.129558 0.629558 0.500000 Pb\n0.870442 0.370442 0.500000 Pb\n0.629558 0.870442 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.370442 0.129558 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Pb-Sr",
"density": 7.603849668329518,
"density_atomic": 0.028733154106460657,
"volume": 348.0300130973612,
"volume_molar": 20.958857275769525,
"formula_full": "Sr4 Pb6",
"formula_reduced": "Sr2Pb3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.145880164,
"spacegroup": 127
},
{
"id": "jvasp-13124",
"created_at": "2022-09-04T14:37:06.980810Z",
"updated_at": "2022-09-04T14:37:06.980840Z",
"structure_string": "Sr8 Pb4\n1.0\n5.429354 -0.000000 0.000000\n-0.000000 8.346869 0.000000\n0.000000 0.000000 10.130241\nSr Pb\n8 4\ndirect\n0.250000 0.480081 0.184039 Sr\n0.749999 0.519919 0.815961 Sr\n0.250000 0.980081 0.315961 Sr\n0.749999 0.019919 0.684039 Sr\n0.749999 0.158990 0.074708 Sr\n0.250000 0.841010 0.925291 Sr\n0.749999 0.658990 0.425292 Sr\n0.250000 0.341010 0.574708 Sr\n0.250000 0.751287 0.604457 Pb\n0.749999 0.248713 0.395543 Pb\n0.250000 0.251287 0.895543 Pb\n0.749999 0.748713 0.104457 Pb\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Pb-Sr",
"density": 5.533257282905205,
"density_atomic": 0.02613904473679454,
"volume": 459.08334144699023,
"volume_molar": 23.038870856374313,
"formula_full": "Sr8 Pb4",
"formula_reduced": "Sr2Pb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-77392",
"created_at": "2022-09-04T14:38:11.193633Z",
"updated_at": "2022-09-04T14:38:11.193656Z",
"structure_string": "Sr2 P1 Au1\n1.0\n-3.945041 -5.199622 -10.772450\n-3.651644 -2.296303 -1.341298\n-2.346883 1.392894 -3.599700\nSr P Au\n2 1 1\ndirect\n0.782737 -0.043710 -0.043709 Sr\n0.217263 0.043710 0.043709 Sr\n-0.000000 -0.000000 -0.000000 P\n0.500000 -0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.362533892763813,
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"volume": 124.84707861961223,
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"formula_full": "Sr2 P1 Au1",
"formula_reduced": "Sr2PAu",
"formula_anonymous": "ABC2",
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"spacegroup": 166
}
]
}