HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=237",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=235",
"results": [
{
"id": "jvasp-93292",
"created_at": "2022-09-04T14:36:01.366635Z",
"updated_at": "2022-09-04T14:36:01.366650Z",
"structure_string": "Mg5 Hg1\n1.0\n-4.699214 2.713091 0.000000\n0.000000 -5.426184 0.000000\n-1.566406 2.713091 5.135169\nMg Hg\n5 1\ndirect\n0.996443 -0.000000 -0.000000 Mg\n0.670221 0.336889 -0.000000 Mg\n0.333332 0.663113 -0.000000 Mg\n0.500662 0.832669 0.498015 Mg\n0.166004 0.167327 0.501984 Mg\n0.833333 0.499998 0.499998 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 4.084938911388898,
"density_atomic": 0.045822287932359006,
"volume": 130.94064636966525,
"volume_molar": 13.14238339405845,
"formula_full": "Mg5 Hg1",
"formula_reduced": "Mg5Hg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 155
},
{
"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,
"nelements": 3,
"elements": [
"Al",
"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
},
{
"id": "jvasp-49965",
"created_at": "2022-09-04T14:35:57.304446Z",
"updated_at": "2022-09-04T14:35:57.304466Z",
"structure_string": "Rb3 Cl1 O1\n1.0\n5.420734 0.000000 -0.000000\n-0.000000 5.420734 0.000000\n-0.000000 0.000000 5.420734\nRb Cl O\n3 1 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Rb",
"density": 3.2093874332932875,
"density_atomic": 0.03139031794000051,
"volume": 159.28478359336805,
"volume_molar": 19.184707754508022,
"formula_full": "Rb3 Cl1 O1",
"formula_reduced": "Rb3ClO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-93144",
"created_at": "2022-09-04T14:35:57.301131Z",
"updated_at": "2022-09-04T14:35:57.301164Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.358379 0.007213 0.000000\n-3.172943 5.510124 0.000000\n0.000000 0.000000 5.053760\nNa Mg Si\n1 6 1\ndirect\n0.328767 0.171233 0.750000 Na\n0.164221 0.825831 0.250000 Mg\n0.674169 0.335778 0.250000 Mg\n0.668883 0.831117 0.250000 Mg\n0.328743 0.659034 0.750000 Mg\n0.840965 0.171256 0.750000 Mg\n0.835526 0.664473 0.750000 Mg\n0.158726 0.341274 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Si"
],
"chemical_system": "Mg-Na-Si",
"density": 1.845442143683267,
"density_atomic": 0.04515272708820776,
"volume": 177.17645236292512,
"volume_molar": 13.33726919358712,
"formula_full": "Na1 Mg6 Si1",
"formula_reduced": "NaMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-71450",
"created_at": "2022-09-04T14:36:05.104620Z",
"updated_at": "2022-09-04T14:36:05.104632Z",
"structure_string": "Be1 In2 Hg1\n1.0\n3.178889 0.000000 -0.000000\n-0.000000 3.178889 0.000000\n-0.000000 0.000000 8.607737\nBe In Hg\n1 2 1\ndirect\n0.000000 0.000000 0.532839 Be\n0.000000 0.000000 0.980252 In\n0.500000 0.500000 0.304360 In\n0.500000 0.500000 0.682550 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Hg"
],
"chemical_system": "Be-Hg-In",
"density": 8.385123559841974,
"density_atomic": 0.0459854324638937,
"volume": 86.98406833817802,
"volume_molar": 13.095757585249181,
"formula_full": "Be1 In2 Hg1",
"formula_reduced": "BeIn2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-93058",
"created_at": "2022-09-04T14:36:02.313812Z",
"updated_at": "2022-09-04T14:36:02.313836Z",
"structure_string": "Na1 Mg6 Cd1\n1.0\n6.461449 0.001938 0.000000\n-3.229047 5.596746 0.000000\n0.000000 0.000000 5.152945\nNa Mg Cd\n1 6 1\ndirect\n0.169644 0.330357 0.250000 Na\n0.168595 0.834804 0.250000 Mg\n0.665197 0.331405 0.250000 Mg\n0.664720 0.835281 0.250000 Mg\n0.336057 0.671720 0.749999 Mg\n0.828281 0.163944 0.749999 Mg\n0.831844 0.668157 0.749999 Mg\n0.335663 0.164337 0.749999 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 2.505623192500284,
"density_atomic": 0.04292337030006448,
"volume": 186.37865442704955,
"volume_molar": 14.029981145238619,
"formula_full": "Na1 Mg6 Cd1",
"formula_reduced": "NaMg6Cd",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-87875",
"created_at": "2022-09-04T14:35:58.162845Z",
"updated_at": "2022-09-04T14:35:58.162866Z",
"structure_string": "Ti1 Tl3 F6\n1.0\n5.624032 0.000000 3.247036\n1.874677 5.302388 3.247036\n0.000000 -0.000000 6.494073\nTi Tl F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.212718 0.787282 0.787282 F\n0.212718 0.787282 0.212718 F\n0.787282 0.212718 0.787282 F\n0.212718 0.212718 0.787282 F\n0.787282 0.212718 0.212718 F\n0.787282 0.787282 0.212718 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Tl",
"F"
],
"chemical_system": "F-Ti-Tl",
"density": 6.645359009565601,
"density_atomic": 0.051637302485708,
"volume": 193.65845074435805,
"volume_molar": 11.662384497460508,
"formula_full": "Ti1 Tl3 F6",
"formula_reduced": "TiTl3F6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-3819",
"created_at": "2022-09-04T14:35:57.265605Z",
"updated_at": "2022-09-04T14:35:57.265627Z",
"structure_string": "K4 Ag2 Bi2\n1.0\n6.383234 0.000000 0.000000\n0.000000 6.569498 -1.543942\n0.000000 -0.011038 6.748477\nK Ag Bi\n4 2 2\ndirect\n0.249943 0.670702 0.019167 K\n0.749943 0.329298 0.980834 K\n0.250057 0.019166 0.670702 K\n0.750057 0.980834 0.329298 K\n0.000000 0.500045 0.499955 Ag\n0.500000 0.499955 0.500046 Ag\n0.250000 0.223213 0.223213 Bi\n0.750000 0.776787 0.776787 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-K",
"density": 4.637822627820612,
"density_atomic": 0.028279924114304588,
"volume": 282.88619048851797,
"volume_molar": 21.29475572727535,
"formula_full": "K4 Ag2 Bi2",
"formula_reduced": "K2AgBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-64144",
"created_at": "2022-09-04T14:35:57.270717Z",
"updated_at": "2022-09-04T14:35:57.270740Z",
"structure_string": "Ba4 Cd1 Hg1\n1.0\n-0.000000 5.075244 5.075244\n5.075244 0.000000 5.075244\n5.075244 5.075244 0.000000\nBa Cd Hg\n4 1 1\ndirect\n0.124623 0.625126 0.625126 Ba\n0.625126 0.625126 0.625126 Ba\n0.625126 0.124623 0.625126 Ba\n0.625126 0.625126 0.124623 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Hg"
],
"chemical_system": "Ba-Cd-Hg",
"density": 5.476602765095463,
"density_atomic": 0.022948297709573424,
"volume": 261.4573017979002,
"volume_molar": 26.242211235945934,
"formula_full": "Ba4 Cd1 Hg1",
"formula_reduced": "Ba4CdHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64393",
"created_at": "2022-09-04T14:36:02.450628Z",
"updated_at": "2022-09-04T14:36:02.450663Z",
"structure_string": "Ba1 Na1 In1\n1.0\n-0.000000 4.062557 4.062557\n4.062557 0.000000 4.062557\n4.062557 4.062557 0.000000\nBa Na In\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"In"
],
"chemical_system": "Ba-In-Na",
"density": 3.4069532633658532,
"density_atomic": 0.022371384222552602,
"volume": 134.09988269638222,
"volume_molar": 26.918945649903403,
"formula_full": "Ba1 Na1 In1",
"formula_reduced": "BaNaIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-94735",
"created_at": "2022-09-04T14:35:48.029015Z",
"updated_at": "2022-09-04T14:35:48.029040Z",
"structure_string": "Ca1 Mg6 Ti1\n1.0\n6.240971 -1.670677 0.000000\n-4.567333 7.910852 0.000000\n0.000000 0.000000 4.484952\nCa Mg Ti\n1 6 1\ndirect\n0.250044 0.375021 0.250000 Ca\n0.749969 0.374961 0.250000 Mg\n0.749969 0.875008 0.250000 Mg\n0.249968 0.107013 0.750000 Mg\n0.249968 0.642955 0.750000 Mg\n0.714084 0.107042 0.750000 Mg\n0.785994 0.642996 0.750000 Mg\n0.250004 0.875001 0.250000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ti"
],
"chemical_system": "Ca-Mg-Ti",
"density": 2.073614274849876,
"density_atomic": 0.042733729609775985,
"volume": 187.20575229572003,
"volume_molar": 14.09224239258149,
"formula_full": "Ca1 Mg6 Ti1",
"formula_reduced": "CaMg6Ti",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-86317",
"created_at": "2022-09-04T14:35:57.135515Z",
"updated_at": "2022-09-04T14:35:57.135546Z",
"structure_string": "Ce2 Ga12\n1.0\n6.029725 0.000000 0.000000\n-0.000000 6.029725 0.000000\n0.000000 0.000000 7.656629\nCe Ga\n2 12\ndirect\n0.250000 0.749999 0.000000 Ce\n0.749999 0.250000 0.000000 Ce\n0.935560 0.064439 0.350622 Ga\n0.564439 0.435561 0.350622 Ga\n0.250000 0.250000 0.161395 Ga\n0.250000 0.250000 0.838605 Ga\n0.749999 0.749999 0.838605 Ga\n0.749999 0.749999 0.161395 Ga\n0.435561 0.564439 0.649378 Ga\n0.935560 0.435561 0.649378 Ga\n0.564439 0.064439 0.649378 Ga\n0.435561 0.935560 0.350622 Ga\n0.064439 0.564439 0.350622 Ga\n0.064439 0.935560 0.649378 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ce",
"Ga"
],
"chemical_system": "Ce-Ga",
"density": 6.662448791782884,
"density_atomic": 0.05029159628365397,
"volume": 278.37652877505406,
"volume_molar": 11.974447432596898,
"formula_full": "Ce2 Ga12",
"formula_reduced": "CeGa6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.0,
"spacegroup": 125
}
]
}