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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1297",
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"results": [
{
"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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],
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"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",
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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,
"nelements": 3,
"elements": [
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],
"chemical_system": "N-Pd-Sr",
"density": 5.424605246606982,
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"volume": 94.79487542591033,
"volume_molar": 11.41736166282994,
"formula_full": "Sr2 Pd1 N2",
"formula_reduced": "Sr2PdN2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"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",
"nsites": 12,
"nelements": 3,
"elements": [
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"Pd",
"F"
],
"chemical_system": "F-Pd-Sr",
"density": 4.857184541836092,
"density_atomic": 0.06499335112034198,
"volume": 184.63427093920342,
"volume_molar": 9.265779739298837,
"formula_full": "Sr2 Pd2 F8",
"formula_reduced": "SrPdF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"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": [
"Sr",
"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-101111",
"created_at": "2022-09-04T14:36:37.601899Z",
"updated_at": "2022-09-04T14:36:37.601928Z",
"structure_string": "Sr1 Pb3 S4\n1.0\n4.209426 0.006130 13.442073\n2.060603 3.670589 13.442073\n0.010453 0.006130 14.085755\nSr Pb S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249706 0.249706 0.249706 Pb\n0.499999 0.500000 0.500000 Pb\n0.750293 0.750294 0.750294 Pb\n0.125165 0.125165 0.125165 S\n0.374486 0.374487 0.374487 S\n0.625513 0.625513 0.625513 S\n0.874834 0.874835 0.874835 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sr",
"density": 6.4154049185443585,
"density_atomic": 0.03690545108202867,
"volume": 216.7701454784724,
"volume_molar": 16.31775410796298,
"formula_full": "Sr1 Pb3 S4",
"formula_reduced": "SrPb3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.99519859625,
"spacegroup": 166
},
{
"id": "jvasp-105403",
"created_at": "2022-09-04T14:37:01.981316Z",
"updated_at": "2022-09-04T14:37:01.981336Z",
"structure_string": "Sr3 Pb1 S4\n1.0\n4.259850 -0.000000 0.000000\n0.000000 6.013365 0.000000\n-0.000000 -0.000000 8.523382\nSr Pb S\n3 1 4\ndirect\n0.500000 0.500000 0.248677 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.751322 Sr\n0.000000 0.000000 0.000000 Pb\n-0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.747270 S\n-0.000000 0.500000 -0.000000 S\n0.500000 0.000000 0.252730 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sr",
"density": 4.55049658057118,
"density_atomic": 0.036640902454296666,
"volume": 218.33523369078173,
"volume_molar": 16.435568876917277,
"formula_full": "Sr3 Pb1 S4",
"formula_reduced": "Sr3PbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.6492212187500002,
"spacegroup": 47
},
{
"id": "jvasp-116400",
"created_at": "2022-09-04T14:38:48.117062Z",
"updated_at": "2022-09-04T14:38:48.117079Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n3.789750 -0.000000 0.000000\n0.000000 3.789750 0.000000\n0.000000 0.000000 7.543884\nSr Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.011593 Sr\n0.000000 0.000000 0.567509 Pb\n0.000000 0.000000 0.294684 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 4.763663657808955,
"density_atomic": 0.027688863459490405,
"volume": 108.34680897571276,
"volume_molar": 21.749324484952457,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4470320711111111,
"spacegroup": 99
},
{
"id": "jvasp-116399",
"created_at": "2022-09-04T14:38:48.091284Z",
"updated_at": "2022-09-04T14:38:48.091304Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n5.090237 0.000000 0.000000\n-2.545119 4.408275 -0.000000\n-0.000000 0.000000 3.681930\nSr Pb O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666666 0.000000 Pb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 6.247050332918617,
"density_atomic": 0.036311069823159355,
"volume": 82.61943298863056,
"volume_molar": 16.58486183229736,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.626212071111111,
"spacegroup": 187
},
{
"id": "jvasp-17560",
"created_at": "2022-09-04T14:38:28.561722Z",
"updated_at": "2022-09-04T14:38:28.561742Z",
"structure_string": "Sr3 Pb1 O1\n1.0\n5.160557 -0.000000 -0.000000\n0.000000 5.160557 -0.000000\n0.000000 0.000000 5.160557\nSr Pb O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 5.872847259757233,
"density_atomic": 0.036381471968714586,
"volume": 137.43259218042732,
"volume_molar": 16.55276830244417,
"formula_full": "Sr3 Pb1 O1",
"formula_reduced": "Sr3PbO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-55531",
"created_at": "2022-09-04T14:37:08.645425Z",
"updated_at": "2022-09-04T14:37:08.645445Z",
"structure_string": "Sr4 Pb4 O12\n1.0\n5.925384 -0.000000 0.000000\n-0.000000 6.093364 0.000000\n0.000000 0.000000 8.427616\nSr Pb O\n4 4 12\ndirect\n0.986031 0.447270 0.250000 Sr\n0.486032 0.052730 0.750000 Sr\n0.513968 0.947270 0.250000 Sr\n0.013968 0.552729 0.750000 Sr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.603684 0.458911 0.750000 O\n0.103684 0.041088 0.250000 O\n0.198789 0.297312 0.945741 O\n0.698788 0.202688 0.054260 O\n0.301211 0.797312 0.554260 O\n0.698788 0.202688 0.445741 O\n0.801211 0.702687 0.054260 O\n0.301211 0.797312 0.945741 O\n0.396315 0.541088 0.250000 O\n0.198789 0.297312 0.554260 O\n0.801211 0.702687 0.445741 O\n0.896315 0.958911 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 7.483324831936879,
"density_atomic": 0.06572818407292984,
"volume": 304.2834711180923,
"volume_molar": 9.162189470072732,
"formula_full": "Sr4 Pb4 O12",
"formula_reduced": "SrPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1258526426666662,
"spacegroup": 62
},
{
"id": "jvasp-116402",
"created_at": "2022-09-04T14:38:49.209494Z",
"updated_at": "2022-09-04T14:38:49.209510Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n3.681785 1.514466 0.000000\n1.295091 7.155024 0.000000\n0.000000 0.000000 3.749611\nSr Pb O\n1 1 1\ndirect\n0.006484 -0.116536 0.000000 Sr\n-0.029179 0.420378 0.000000 Pb\n0.327539 0.065013 0.000000 O\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "O-Pb-Sr",
"density": 5.645516165177633,
"density_atomic": 0.03281464382979711,
"volume": 91.42259826315319,
"volume_molar": 18.351991846188003,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2688954044444444,
"spacegroup": 25
},
{
"id": "jvasp-116403",
"created_at": "2022-09-04T14:38:49.240778Z",
"updated_at": "2022-09-04T14:38:49.240813Z",
"structure_string": "Sr1 Pb1 O3\n1.0\n4.272256 -0.000000 -0.000000\n-0.000000 4.272256 -0.000000\n0.000000 0.000000 4.272256\nSr Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.300307650685901,
"density_atomic": 0.06412069178201193,
"volume": 77.97794847563813,
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"formula_full": "Sr1 Pb1 O3",
"formula_reduced": "SrPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1542466426666662,
"spacegroup": 221
}
]
}