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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=114",
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"results": [
{
"id": "jvasp-42656",
"created_at": "2022-09-04T14:36:00.480133Z",
"updated_at": "2022-09-04T14:36:00.480163Z",
"structure_string": "Yb8 Br12 O2\n1.0\n4.660734 -8.072628 -0.000000\n4.660734 8.072628 0.000000\n-0.000000 0.000000 7.071402\nYb Br O\n8 12 2\ndirect\n0.797338 0.202661 0.003388 Yb\n0.666667 0.333333 0.411928 Yb\n0.797338 0.594677 0.003388 Yb\n0.405323 0.202662 0.003388 Yb\n0.594677 0.797338 0.503388 Yb\n0.333333 0.666667 0.911928 Yb\n0.202662 0.405323 0.503388 Yb\n0.202661 0.797338 0.503388 Yb\n0.135375 0.864624 0.883743 Br\n0.070954 0.535477 0.204691 Br\n0.464523 0.929045 0.204691 Br\n0.135376 0.270750 0.883743 Br\n0.464523 0.535476 0.204691 Br\n0.270750 0.135376 0.383743 Br\n0.864624 0.729249 0.383743 Br\n0.535476 0.464523 0.704691 Br\n0.535477 0.070954 0.704691 Br\n0.929045 0.464523 0.704691 Br\n0.864624 0.135375 0.383743 Br\n0.729249 0.864624 0.883743 Br\n0.666667 0.333333 0.101920 O\n0.333333 0.666667 0.601920 O\n",
"nsites": 22,
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"elements": [
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"Br",
"O"
],
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"volume": 532.1141158342774,
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"formula_full": "Yb8 Br12 O2",
"formula_reduced": "Yb4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-94780",
"created_at": "2022-09-04T14:36:07.236816Z",
"updated_at": "2022-09-04T14:36:07.236844Z",
"structure_string": "Li1 Mg6 Al1\n1.0\n6.262643 0.010014 0.000000\n-3.122649 5.428614 0.000000\n0.000000 0.000000 5.018670\nLi Mg Al\n1 6 1\ndirect\n0.330491 0.169508 0.750000 Li\n0.167688 0.839838 0.250000 Mg\n0.660161 0.332310 0.250000 Mg\n0.666889 0.833108 0.250000 Mg\n0.331521 0.660371 0.750000 Mg\n0.839627 0.168477 0.750000 Mg\n0.834886 0.665112 0.750000 Mg\n0.168731 0.331268 0.250000 Al\n",
"nsites": 8,
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"elements": [
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"Mg",
"Al"
],
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"density": 1.747791408850779,
"density_atomic": 0.046844160171901884,
"volume": 170.77902497649148,
"volume_molar": 12.855691590799843,
"formula_full": "Li1 Mg6 Al1",
"formula_reduced": "LiMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-67869",
"created_at": "2022-09-04T14:36:07.234054Z",
"updated_at": "2022-09-04T14:36:07.234080Z",
"structure_string": "Be1 Zn2 Cu1\n1.0\n-1.822531 1.822531 3.670370\n1.822531 -1.822531 3.670370\n1.822531 1.822531 -3.670370\nBe Zn Cu\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Cu\n",
"nsites": 4,
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"elements": [
"Be",
"Zn",
"Cu"
],
"chemical_system": "Be-Cu-Zn",
"density": 6.925155050275282,
"density_atomic": 0.08202387929968068,
"volume": 48.766286527191504,
"volume_molar": 7.3419360452309705,
"formula_full": "Be1 Zn2 Cu1",
"formula_reduced": "BeZn2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 119
},
{
"id": "jvasp-99374",
"created_at": "2022-09-04T14:36:04.767654Z",
"updated_at": "2022-09-04T14:36:04.767674Z",
"structure_string": "Ho2 Zn1 Hg1\n1.0\n4.426640 -0.000000 2.555722\n1.475547 4.173477 2.555722\n-0.000000 -0.000000 5.111444\nHo Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Ho\n0.750000 0.750001 0.749998 Ho\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Zn",
"Hg"
],
"chemical_system": "Hg-Ho-Zn",
"density": 10.477971955590213,
"density_atomic": 0.0423588494885827,
"volume": 94.431271110849,
"volume_molar": 14.216960169381357,
"formula_full": "Ho2 Zn1 Hg1",
"formula_reduced": "Ho2ZnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65681",
"created_at": "2022-09-04T14:35:57.474097Z",
"updated_at": "2022-09-04T14:35:57.474124Z",
"structure_string": "Ba1 Ga1 Br2\n1.0\n4.164846 -0.000000 0.000000\n-0.000000 4.165651 0.000000\n0.000000 0.000000 7.228789\nBa Ga Br\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Ba\n0.500001 0.500000 0.000000 Ga\n0.000000 0.000000 0.741592 Br\n0.000000 0.000000 0.258408 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Br"
],
"chemical_system": "Ba-Br-Ga",
"density": 4.857353533176528,
"density_atomic": 0.031894266128018066,
"volume": 125.41439216518393,
"volume_molar": 18.88157807371447,
"formula_full": "Ba1 Ga1 Br2",
"formula_reduced": "BaGaBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-66494",
"created_at": "2022-09-04T14:35:57.509132Z",
"updated_at": "2022-09-04T14:35:57.509158Z",
"structure_string": "Ba1 In1 Br1\n1.0\n0.000000 4.018357 4.018357\n4.018357 0.000000 4.018357\n4.018357 4.018357 0.000000\nBa In Br\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
"Ba",
"In",
"Br"
],
"chemical_system": "Ba-Br-In",
"density": 4.248892320668627,
"density_atomic": 0.02311775759420327,
"volume": 129.77037187863948,
"volume_molar": 26.04984819769042,
"formula_full": "Ba1 In1 Br1",
"formula_reduced": "BaInBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-89067",
"created_at": "2022-09-04T14:36:01.311188Z",
"updated_at": "2022-09-04T14:36:01.311200Z",
"structure_string": "La4 Zn4 Sn4\n1.0\n4.619877 -0.000000 0.000000\n-2.309938 4.000930 0.000000\n0.000000 0.000000 17.079392\nLa Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 La\n0.000000 0.000000 0.250000 La\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.843547 Zn\n0.666667 0.333333 0.656452 Zn\n0.333333 0.666667 0.156453 Zn\n0.333333 0.666667 0.343547 Zn\n0.666667 0.333333 0.115599 Sn\n0.666667 0.333333 0.384401 Sn\n0.333333 0.666667 0.884401 Sn\n0.333333 0.666667 0.615599 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Zn",
"Sn"
],
"chemical_system": "La-Sn-Zn",
"density": 6.796428288915925,
"density_atomic": 0.038011715801507404,
"volume": 315.6921424610915,
"volume_molar": 15.842854322722218,
"formula_full": "La4 Zn4 Sn4",
"formula_reduced": "LaZnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-64699",
"created_at": "2022-09-04T14:36:07.310453Z",
"updated_at": "2022-09-04T14:36:07.310481Z",
"structure_string": "Ba4 Ga1 Br1\n1.0\n0.000000 5.054454 5.054454\n5.054454 0.000000 5.054454\n5.054454 5.054454 -0.000000\nBa Ga Br\n4 1 1\ndirect\n0.124169 0.625277 0.625277 Ba\n0.625277 0.625277 0.625277 Ba\n0.625277 0.124169 0.625277 Ba\n0.625277 0.625277 0.124169 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Br"
],
"chemical_system": "Ba-Br-Ga",
"density": 4.494000799308091,
"density_atomic": 0.02323263713936638,
"volume": 258.25738008163273,
"volume_molar": 25.921038252673544,
"formula_full": "Ba4 Ga1 Br1",
"formula_reduced": "Ba4GaBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-91630",
"created_at": "2022-09-04T14:35:59.663499Z",
"updated_at": "2022-09-04T14:35:59.663525Z",
"structure_string": "Sr2 Zn2 Sb2 F2\n1.0\n4.325945 -0.000000 -0.000000\n-0.000000 4.325945 -0.000000\n-0.000000 -0.000000 9.432895\nSr Zn Sb F\n2 2 2 2\ndirect\n0.750001 0.750001 0.861035 Sr\n0.250000 0.250000 0.138965 Sr\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.750001 0.750001 0.318697 Sb\n0.250000 0.250000 0.681302 Sb\n0.250000 0.750001 0.000000 F\n0.750001 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Zn",
"Sb",
"F"
],
"chemical_system": "F-Sb-Sr-Zn",
"density": 5.527201230392381,
"density_atomic": 0.04531927981556276,
"volume": 176.52531180013983,
"volume_molar": 13.288253442041638,
"formula_full": "Sr2 Zn2 Sb2 F2",
"formula_reduced": "SrZnSbF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-64464",
"created_at": "2022-09-04T14:35:59.661386Z",
"updated_at": "2022-09-04T14:35:59.661408Z",
"structure_string": "Ba4 Tl1 Pb1\n1.0\n0.000000 5.058666 5.058666\n5.058666 -0.000000 5.058666\n5.058666 5.058666 -0.000000\nBa Tl Pb\n4 1 1\ndirect\n0.126757 0.624415 0.624415 Ba\n0.624415 0.624415 0.624415 Ba\n0.624415 0.126757 0.624415 Ba\n0.624415 0.624415 0.126757 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
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"elements": [
"Ba",
"Tl",
"Pb"
],
"chemical_system": "Ba-Pb-Tl",
"density": 6.162903184501565,
"density_atomic": 0.02317465283335156,
"volume": 258.90355480817226,
"volume_molar": 25.98589417198647,
"formula_full": "Ba4 Tl1 Pb1",
"formula_reduced": "Ba4TlPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-93165",
"created_at": "2022-09-04T14:35:57.929377Z",
"updated_at": "2022-09-04T14:35:57.929402Z",
"structure_string": "Na1 Li1 Mg6\n1.0\n6.511028 -0.017102 0.000000\n-3.270326 5.630165 0.000000\n0.000000 0.000000 5.148777\nNa Li Mg\n1 1 6\ndirect\n0.328707 0.171293 0.750000 Na\n0.162330 0.337669 0.250000 Li\n0.166997 0.825432 0.250000 Mg\n0.674568 0.333002 0.250000 Mg\n0.667948 0.832051 0.250000 Mg\n0.329178 0.663793 0.750000 Mg\n0.836207 0.170822 0.750000 Mg\n0.834060 0.665939 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"Li",
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],
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"density": 1.5486717646738666,
"density_atomic": 0.042450061634717026,
"volume": 188.4567346177265,
"volume_molar": 14.186412287973921,
"formula_full": "Na1 Li1 Mg6",
"formula_reduced": "NaLiMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-91233",
"created_at": "2022-09-04T14:35:57.541754Z",
"updated_at": "2022-09-04T14:35:57.541780Z",
"structure_string": "Al8 Pb12 F48\n1.0\n9.513828 0.000000 -0.092295\n0.000000 9.616656 0.000000\n0.006872 0.000000 10.076075\nAl Pb F\n8 12 48\ndirect\n0.688557 0.639385 0.418117 Al\n0.311443 0.360615 0.581884 Al\n0.188557 0.860615 0.918117 Al\n0.811443 0.139385 0.081884 Al\n0.317588 0.650512 0.371529 Al\n0.182412 0.150512 0.128471 Al\n0.682412 0.349488 0.628472 Al\n0.817588 0.849488 0.871529 Al\n0.789336 0.003635 0.496232 Pb\n0.984135 0.379562 0.331358 Pb\n0.210664 0.996366 0.503769 Pb\n0.710665 0.503635 0.003769 Pb\n0.015865 0.620439 0.668643 Pb\n0.484135 0.120439 0.831358 Pb\n0.514447 0.281614 0.285582 Pb\n0.515865 0.879562 0.168643 Pb\n0.485553 0.718387 0.714419 Pb\n0.014447 0.218386 0.785582 Pb\n0.289335 0.496365 0.996232 Pb\n0.985554 0.781614 0.214419 Pb\n0.710840 0.174604 0.694462 F\n0.789161 0.674604 0.805540 F\n0.503157 0.704948 0.407230 F\n0.996843 0.204947 0.092771 F\n0.496843 0.295053 0.592771 F\n0.003157 0.795053 0.907230 F\n0.365854 0.482751 0.450645 F\n0.865854 0.017249 0.950645 F\n0.134146 0.982751 0.049356 F\n0.154635 0.982607 0.788290 F\n0.845365 0.017393 0.211711 F\n0.737092 0.773241 0.301237 F\n0.634146 0.517250 0.549356 F\n0.345364 0.482607 0.711711 F\n0.438115 0.965869 0.655479 F\n0.770451 0.784754 0.034925 F\n0.061884 0.465869 0.844522 F\n0.561885 0.034132 0.344522 F\n0.938116 0.534132 0.155479 F\n0.503515 0.360241 0.053078 F\n0.996486 0.860241 0.446923 F\n0.496485 0.639759 0.946923 F\n0.003514 0.139759 0.553078 F\n0.707394 0.764938 0.551587 F\n0.792606 0.264938 0.948414 F\n0.292606 0.235062 0.448413 F\n0.207394 0.735062 0.051587 F\n0.870224 0.582302 0.437618 F\n0.629777 0.082302 0.062383 F\n0.129776 0.417698 0.562383 F\n0.289161 0.825396 0.305539 F\n0.370223 0.917698 0.937618 F\n0.762908 0.273240 0.198764 F\n0.237092 0.726760 0.801237 F\n0.262908 0.226760 0.698764 F\n0.122168 0.084331 0.284453 F\n0.377832 0.584331 0.215548 F\n0.877832 0.915669 0.715548 F\n0.622168 0.415669 0.784453 F\n0.360502 0.096496 0.161562 F\n0.139498 0.596496 0.338439 F\n0.639498 0.903504 0.838439 F\n0.860502 0.403504 0.661562 F\n0.270451 0.715247 0.534925 F\n0.229549 0.215247 0.965076 F\n0.729549 0.284753 0.465076 F\n0.654636 0.517393 0.288290 F\n0.210839 0.325396 0.194461 F\n",
"nsites": 68,
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"elements": [
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"Pb",
"F"
],
"chemical_system": "Al-F-Pb",
"density": 6.510055829464261,
"density_atomic": 0.07376243946218318,
"volume": 921.8784044535635,
"volume_molar": 8.164237522387603,
"formula_full": "Al8 Pb12 F48",
"formula_reduced": "Al2Pb3F12",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}