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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=370",
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"results": [
{
"id": "jvasp-106489",
"created_at": "2022-09-04T14:36:56.101486Z",
"updated_at": "2022-09-04T14:36:56.101502Z",
"structure_string": "Al2 Pb6\n1.0\n6.870603 0.000000 0.000000\n-3.435302 5.950117 0.000000\n0.000000 0.000000 5.681605\nAl Pb\n2 6\ndirect\n0.666667 0.333334 0.250000 Al\n0.333334 0.666667 0.750001 Al\n0.830536 0.169464 0.750001 Pb\n0.338928 0.169464 0.750001 Pb\n0.830536 0.661072 0.750001 Pb\n0.169465 0.830536 0.250000 Pb\n0.661072 0.830536 0.250000 Pb\n0.169464 0.338928 0.250000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 9.273683682134688,
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"volume": 232.26907874712512,
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"formula_full": "Al2 Pb6",
"formula_reduced": "AlPb3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-53503",
"created_at": "2022-09-04T14:38:08.590890Z",
"updated_at": "2022-09-04T14:38:08.590919Z",
"structure_string": "Al4 Pb2 Se8\n1.0\n6.284386 -0.110308 0.000000\n-3.068368 5.485508 0.000000\n0.000000 0.000000 10.937202\nAl Pb Se\n4 2 8\ndirect\n0.238163 0.759139 0.000000 Al\n0.240862 0.761837 0.500000 Al\n0.759139 0.238163 0.500000 Al\n0.761837 0.240861 0.000000 Al\n0.500000 0.500000 0.250000 Pb\n0.500000 0.500000 0.750000 Pb\n-0.000000 0.500000 0.169121 Se\n0.183974 0.346952 0.500000 Se\n0.500000 -0.000000 0.330879 Se\n0.346952 0.183974 0.000000 Se\n0.653049 0.816026 0.000000 Se\n0.500000 -0.000000 0.669121 Se\n0.816026 0.653048 0.500000 Se\n-0.000000 0.500000 0.830879 Se\n",
"nsites": 14,
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"elements": [
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"Pb",
"Se"
],
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"density": 5.132824000317443,
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"volume": 373.3368419333135,
"volume_molar": 16.05919295011632,
"formula_full": "Al4 Pb2 Se8",
"formula_reduced": "Al2PbSe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 66
},
{
"id": "jvasp-17859",
"created_at": "2022-09-04T14:37:30.876770Z",
"updated_at": "2022-09-04T14:37:30.876797Z",
"structure_string": "Sr1 Al2 Pb2\n1.0\n4.148591 -0.000000 -1.535996\n-0.568695 4.109427 -1.535996\n0.580373 0.666221 7.938024\nSr Al Pb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249999 0.750001 0.499999 Al\n0.749999 0.250000 0.499999 Al\n0.379202 0.379203 0.758404 Pb\n0.620796 0.620798 0.241594 Pb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Pb"
],
"chemical_system": "Al-Pb-Sr",
"density": 6.419324634452232,
"density_atomic": 0.034765515472928755,
"volume": 143.82067781774745,
"volume_molar": 17.3221673203417,
"formula_full": "Sr1 Al2 Pb2",
"formula_reduced": "Sr(AlPb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.67925671,
"spacegroup": 139
},
{
"id": "jvasp-51322",
"created_at": "2022-09-04T14:37:17.572079Z",
"updated_at": "2022-09-04T14:37:17.572099Z",
"structure_string": "Al1 Tc2 Pb1\n1.0\n0.000000 3.254445 3.254444\n3.254444 0.000000 3.254444\n3.254443 3.254445 0.000001\nAl Tc Pb\n1 2 1\ndirect\n0.499999 0.500000 0.499999 Al\n0.000000 0.000000 0.000000 Tc\n0.749999 0.749999 0.749999 Tc\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Tc",
"Pb"
],
"chemical_system": "Al-Pb-Tc",
"density": 10.361925406152915,
"density_atomic": 0.058022920802336335,
"volume": 68.9382737836758,
"volume_molar": 10.378899711917837,
"formula_full": "Al1 Tc2 Pb1",
"formula_reduced": "AlTc2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.352671655,
"spacegroup": 216
},
{
"id": "jvasp-20808",
"created_at": "2022-09-04T14:38:34.626229Z",
"updated_at": "2022-09-04T14:38:34.626247Z",
"structure_string": "Al4 Pd8\n1.0\n4.100289 0.000000 0.000000\n0.000000 5.489718 0.000000\n0.000000 0.000000 7.856624\nAl Pd\n4 8\ndirect\n0.750000 0.301414 0.605499 Al\n0.250000 0.698587 0.394501 Al\n0.750000 0.801414 0.894500 Al\n0.250000 0.198587 0.105499 Al\n0.750000 0.959124 0.210020 Pd\n0.250000 0.040877 0.789980 Pd\n0.750000 0.459124 0.289980 Pd\n0.250000 0.540877 0.710019 Pd\n0.750000 0.835061 0.566770 Pd\n0.250000 0.164939 0.433230 Pd\n0.750000 0.335061 0.933229 Pd\n0.250000 0.664939 0.066770 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Al",
"Pd"
],
"chemical_system": "Al-Pd",
"density": 9.007345062221152,
"density_atomic": 0.06785483093885729,
"volume": 176.8481305452367,
"volume_molar": 8.875036127385592,
"formula_full": "Al4 Pd8",
"formula_reduced": "AlPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.211178066666667,
"spacegroup": 62
},
{
"id": "jvasp-105113",
"created_at": "2022-09-04T14:36:41.115052Z",
"updated_at": "2022-09-04T14:36:41.115073Z",
"structure_string": "Al3 Pd1\n1.0\n3.963060 -0.000000 0.000000\n0.000000 3.963060 0.000000\n-0.000000 -0.000000 3.963060\nAl Pd\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
],
"chemical_system": "Al-Pd",
"density": 4.998557954275783,
"density_atomic": 0.06426404362326564,
"volume": 62.243204356220616,
"volume_molar": 9.370933449665143,
"formula_full": "Al3 Pd1",
"formula_reduced": "Al3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 1.594616025,
"spacegroup": 221
},
{
"id": "jvasp-15772",
"created_at": "2022-09-04T14:36:55.236778Z",
"updated_at": "2022-09-04T14:36:55.236790Z",
"structure_string": "Al4 Pd4\n1.0\n4.908900 0.000000 -0.000000\n-0.000000 4.908900 0.000000\n0.000000 -0.000000 4.908900\nAl Pd\n4 4\ndirect\n0.844019 0.844019 0.844019 Al\n0.655981 0.155981 0.344019 Al\n0.344019 0.655981 0.155981 Al\n0.155981 0.344019 0.655981 Al\n0.148297 0.148297 0.148297 Pd\n0.351703 0.851703 0.648297 Pd\n0.648297 0.351703 0.851703 Pd\n0.851703 0.648297 0.351703 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Pd"
],
"chemical_system": "Al-Pd",
"density": 7.490613208513098,
"density_atomic": 0.06762969544336274,
"volume": 118.291232091969,
"volume_molar": 8.904580629145832,
"formula_full": "Al4 Pd4",
"formula_reduced": "AlPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.6670992500000001,
"spacegroup": 198
},
{
"id": "jvasp-17427",
"created_at": "2022-09-04T14:38:32.879540Z",
"updated_at": "2022-09-04T14:38:32.879579Z",
"structure_string": "Al2 Pd1\n1.0\n3.643069 0.000000 2.103326\n1.214357 3.434718 2.103326\n-0.000000 -0.000000 4.206654\nAl Pd\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750001 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Pd"
],
"chemical_system": "Al-Pd",
"density": 5.0595554961584535,
"density_atomic": 0.05699358546431619,
"volume": 52.63750254628754,
"volume_molar": 10.566348319620069,
"formula_full": "Al2 Pd1",
"formula_reduced": "Al2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 1.271413766666667,
"spacegroup": 225
},
{
"id": "jvasp-19854",
"created_at": "2022-09-04T14:37:00.273278Z",
"updated_at": "2022-09-04T14:37:00.273292Z",
"structure_string": "Al1 Pd1\n1.0\n3.078511 0.000000 0.000000\n0.000000 3.078511 -0.000000\n0.000000 0.000000 3.078511\nAl Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Pd"
],
"chemical_system": "Al-Pd",
"density": 7.592552556861926,
"density_atomic": 0.06855006429576736,
"volume": 29.175756734096755,
"volume_molar": 8.785025691612429,
"formula_full": "Al1 Pd1",
"formula_reduced": "AlPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.6908192500000001,
"spacegroup": 221
},
{
"id": "jvasp-16374",
"created_at": "2022-09-04T14:37:55.807801Z",
"updated_at": "2022-09-04T14:37:55.807815Z",
"structure_string": "Al3 Pd2\n1.0\n2.123885 -3.678677 0.000000\n2.123885 3.678677 -0.000000\n0.000000 -0.000000 5.215198\nAl Pd\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666668 0.333334 0.354235 Al\n0.333334 0.666668 0.645765 Al\n0.666668 0.333334 0.840111 Pd\n0.333334 0.666668 0.159890 Pd\n",
"nsites": 5,
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],
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"density": 5.986247870553361,
"density_atomic": 0.061354518539055374,
"volume": 81.4935903509248,
"volume_molar": 9.815317442620941,
"formula_full": "Al3 Pd2",
"formula_reduced": "Al3Pd2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.63147996,
"spacegroup": 164
},
{
"id": "jvasp-90061",
"created_at": "2022-09-04T14:36:09.914093Z",
"updated_at": "2022-09-04T14:36:09.914112Z",
"structure_string": "Pr3 Al3 Pd3\n1.0\n0.000000 0.000000 -4.239181\n-3.650548 -6.322935 0.000000\n-3.650371 6.322833 0.000000\nPr Al Pd\n3 3 3\ndirect\n0.500000 0.580679 -0.000000 Pr\n0.500000 0.419310 0.419310 Pr\n0.500000 0.000000 0.580690 Pr\n0.000000 0.229037 -0.000000 Al\n0.000000 0.770921 0.770922 Al\n0.000000 -0.000002 0.229078 Al\n0.000000 0.333338 0.666679 Pd\n0.000000 0.666658 0.333320 Pd\n0.500000 0.999963 -0.000000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Al",
"Pd"
],
"chemical_system": "Al-Pd-Pr",
"density": 6.982902903965908,
"density_atomic": 0.04599046546371624,
"volume": 195.692735641053,
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"formula_full": "Pr3 Al3 Pd3",
"formula_reduced": "PrAlPd",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-82046",
"created_at": "2022-09-04T14:37:18.597699Z",
"updated_at": "2022-09-04T14:37:18.597727Z",
"structure_string": "Al2 Pd1 Pt1\n1.0\n-10.037030 1.973237 -2.572598\n-7.218361 1.170158 0.674320\n-6.372260 3.563295 -0.791172\nAl Pd Pt\n2 1 1\ndirect\n0.757173 0.994208 0.994208 Al\n0.242827 0.005792 0.005792 Al\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000001 0.000001 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Pd-Pt",
"density": 9.73255316723402,
"density_atomic": 0.06595356803133129,
"volume": 60.64872787625071,
"volume_molar": 9.13087940464294,
"formula_full": "Al2 Pd1 Pt1",
"formula_reduced": "Al2PdPt",
"formula_anonymous": "ABC2",
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"spacegroup": 12
}
]
}