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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=921",
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{
"id": "jvasp-10993",
"created_at": "2022-09-04T14:37:19.983348Z",
"updated_at": "2022-09-04T14:37:19.983381Z",
"structure_string": "Sr2 Pd2 F8\n1.0\n5.301052 0.000000 -2.515299\n-1.193486 5.164954 -2.515299\n-0.030076 -0.037818 6.780310\nSr Pd F\n2 2 8\ndirect\n0.249999 0.250000 0.499999 Sr\n0.749999 0.749999 0.499999 Sr\n-0.000000 0.500000 -0.000000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.962522 0.462523 0.264696 F\n0.697825 0.197826 0.735302 F\n0.037476 0.537476 0.735302 F\n0.197826 0.037477 0.735303 F\n0.302173 0.802173 0.264696 F\n0.462522 0.302173 0.264696 F\n0.802172 0.962522 0.264696 F\n0.537475 0.697825 0.735302 F\n",
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"density": 4.857184541836092,
"density_atomic": 0.06499335112034198,
"volume": 184.63427093920342,
"volume_molar": 9.265779739298837,
"formula_full": "Sr2 Pd2 F8",
"formula_reduced": "SrPdF4",
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{
"id": "jvasp-37084",
"created_at": "2022-09-04T14:38:03.297681Z",
"updated_at": "2022-09-04T14:38:03.297711Z",
"structure_string": "Sr2 Pd2\n1.0\n-4.213818 0.000000 -0.000000\n0.000000 0.000000 -4.540151\n-2.106910 -5.655763 0.000000\nSr Pd\n2 2\ndirect\n0.138942 0.750000 0.722117 Sr\n0.861059 0.250000 0.277882 Sr\n0.425057 0.750000 0.149888 Pd\n0.574944 0.250000 0.850112 Pd\n",
"nsites": 4,
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"elements": [
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"density": 5.9557037313820365,
"density_atomic": 0.03696772439459328,
"volume": 108.20249462217426,
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"formula_full": "Sr2 Pd2",
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},
{
"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-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",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pd-Pt-Sr",
"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",
"energy_above_hull": 0.8985724300000001,
"spacegroup": 71
},
{
"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": [
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"O"
],
"chemical_system": "O-Pd-Sr",
"density": 5.9739951909738815,
"density_atomic": 0.06547916590949124,
"volume": 91.63219959602901,
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"formula_full": "Sr2 Pd1 O3",
"formula_reduced": "Sr2PdO3",
"formula_anonymous": "AB2C3",
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"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,
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"elements": [
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"Pd",
"N"
],
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"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"
],
"chemical_system": "Au-Pd-Sr",
"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-17967",
"created_at": "2022-09-04T14:38:14.099778Z",
"updated_at": "2022-09-04T14:38:14.099805Z",
"structure_string": "Sr2 Pb2\n1.0\n4.669600 -0.000000 0.000000\n0.000000 4.683063 -1.921472\n-0.000000 -0.016458 6.627468\nSr Pb\n2 2\ndirect\n0.250000 0.867064 0.734131 Sr\n0.750000 0.132935 0.265870 Sr\n0.250000 0.586034 0.172069 Pb\n0.750000 0.413965 0.827931 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pb"
],
"chemical_system": "Pb-Sr",
"density": 6.762720601556639,
"density_atomic": 0.027627742620717734,
"volume": 144.78200607676303,
"volume_molar": 21.79744050273606,
"formula_full": "Sr2 Pb2",
"formula_reduced": "SrPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-7695",
"created_at": "2022-09-04T14:36:43.786631Z",
"updated_at": "2022-09-04T14:36:43.786650Z",
"structure_string": "Sr2 P6\n1.0\n5.435840 -0.006452 1.776719\n1.488567 5.547171 1.340267\n-0.007643 -0.007316 5.897723\nSr P\n2 6\ndirect\n0.147978 0.662719 0.662719 Sr\n0.852023 0.337281 0.337281 Sr\n0.305554 0.991041 0.991042 P\n0.694447 0.008958 0.008958 P\n0.681330 0.396906 0.883167 P\n0.318672 0.116832 0.603093 P\n0.318672 0.603094 0.116832 P\n0.681330 0.883168 0.396906 P\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "P-Sr",
"density": 3.3684326279660453,
"density_atomic": 0.04494301748398615,
"volume": 178.00317931145847,
"volume_molar": 13.399502519264033,
"formula_full": "Sr2 P6",
"formula_reduced": "SrP3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9033907025000003,
"spacegroup": 12
},
{
"id": "jvasp-100292",
"created_at": "2022-09-04T14:36:36.713359Z",
"updated_at": "2022-09-04T14:36:36.713386Z",
"structure_string": "Sr2 P2 Au2\n1.0\n4.379274 0.000000 -0.000000\n-2.189637 3.792563 0.000000\n0.000000 -0.000000 8.440107\nSr P Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333332 0.666667 0.250000 P\n0.666666 0.333333 0.750000 P\n0.333332 0.666667 0.750000 Au\n0.666666 0.333333 0.250000 Au\n",
"nsites": 6,
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"elements": [
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],
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"density": 7.476160581537597,
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"volume": 140.17897335933296,
"volume_molar": 14.06962515270322,
"formula_full": "Sr2 P2 Au2",
"formula_reduced": "SrPAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5094497933333333,
"spacegroup": 194
},
{
"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",
"nsites": 4,
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"elements": [
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],
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"density": 3.803511179011208,
"density_atomic": 0.04068213578038923,
"volume": 98.32325474731331,
"volume_molar": 14.802912001741477,
"formula_full": "Sr2 P1 F1",
"formula_reduced": "Sr2PF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
}
]
}