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=1223",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1221",
"results": [
{
"id": "jvasp-7856",
"created_at": "2022-09-04T14:37:03.320985Z",
"updated_at": "2022-09-04T14:37:03.321020Z",
"structure_string": "Y1 Cr1 O3\n1.0\n3.810479 0.000000 0.000000\n0.000000 3.810479 0.000000\n0.000000 0.000000 3.810436\nY Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-O-Y",
"density": 5.669536865403859,
"density_atomic": 0.09037247736243254,
"volume": 55.326578909061524,
"volume_molar": 6.663688919192316,
"formula_full": "Y1 Cr1 O3",
"formula_reduced": "YCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.62856667,
"spacegroup": 221
},
{
"id": "jvasp-8249",
"created_at": "2022-09-04T14:37:09.709340Z",
"updated_at": "2022-09-04T14:37:09.709368Z",
"structure_string": "Y1 Cr1 O3\n1.0\n3.810137 0.000000 -0.000000\n0.000000 3.810137 0.000000\n-0.000000 0.000000 3.810137\nY Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-O-Y",
"density": 5.670999708634709,
"density_atomic": 0.09039579509894316,
"volume": 55.31230733163225,
"volume_molar": 6.661970010229389,
"formula_full": "Y1 Cr1 O3",
"formula_reduced": "YCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.62851867,
"spacegroup": 221
},
{
"id": "jvasp-20527",
"created_at": "2022-09-04T14:38:28.851749Z",
"updated_at": "2022-09-04T14:38:28.851785Z",
"structure_string": "Pu1 O2\n1.0\n3.292641 -0.000000 1.901007\n1.097547 3.104332 1.901007\n0.000000 0.000000 3.802016\nPu O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.749999 0.750002 O\n0.250000 0.250000 0.250001 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 11.793149598561186,
"density_atomic": 0.07719599532043177,
"volume": 38.86211956394036,
"volume_molar": 7.80110514153329,
"formula_full": "Pu1 O2",
"formula_reduced": "PuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6285123333333336,
"spacegroup": 225
},
{
"id": "jvasp-20256",
"created_at": "2022-09-04T14:37:52.127458Z",
"updated_at": "2022-09-04T14:37:52.127489Z",
"structure_string": "Pu1 O2\n1.0\n3.292641 -0.000000 1.901007\n1.097547 3.104332 1.901007\n0.000000 0.000000 3.802016\nPu O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.749999 0.750002 O\n0.250000 0.250000 0.250001 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 11.793149598561186,
"density_atomic": 0.07719599532043177,
"volume": 38.86211956394036,
"volume_molar": 7.80110514153329,
"formula_full": "Pu1 O2",
"formula_reduced": "PuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6285123333333336,
"spacegroup": 225
},
{
"id": "jvasp-119004",
"created_at": "2022-09-04T14:38:51.039452Z",
"updated_at": "2022-09-04T14:38:51.039476Z",
"structure_string": "Li4 Fe3 Ni2 Sb3 O16\n1.0\n5.969305 -0.012818 0.065823\n2.980334 5.172076 0.065823\n0.019411 0.011190 9.419071\nLi Fe Ni Sb O\n4 3 2 3 16\ndirect\n0.660737 0.660738 0.142835 Li\n0.883078 0.883080 0.037624 Li\n0.986061 0.986063 0.493365 Li\n0.339297 0.339297 0.600292 Li\n0.837799 0.837801 0.780870 Fe\n0.172151 0.669170 0.283879 Fe\n0.669169 0.172151 0.283879 Fe\n0.674431 0.674433 0.499341 Ni\n0.347448 0.347449 0.012184 Ni\n0.173459 0.173459 0.277823 Sb\n0.341503 0.840642 0.790988 Sb\n0.840641 0.341504 0.790988 Sb\n0.173109 0.173109 0.902598 O\n0.151363 0.689172 0.894677 O\n0.340176 0.340177 0.390244 O\n0.504968 0.036003 0.158858 O\n0.036003 0.504968 0.158858 O\n0.840762 0.840764 0.382001 O\n0.970670 0.528877 0.664932 O\n0.519856 0.519858 0.664146 O\n0.835960 0.319044 0.393833 O\n0.000200 0.000200 0.179569 O\n0.002493 0.002493 0.680063 O\n0.679869 0.679870 0.904172 O\n0.481737 0.481738 0.170697 O\n0.319044 0.835961 0.393833 O\n0.528875 0.970671 0.664932 O\n0.689171 0.151363 0.894677 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"Sb",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Sb",
"density": 5.326660128791796,
"density_atomic": 0.09616951185138897,
"volume": 291.15256447665536,
"volume_molar": 6.262006163976409,
"formula_full": "Li4 Fe3 Ni2 Sb3 O16",
"formula_reduced": "Li4Fe3Ni2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.628490914285714,
"spacegroup": 8
},
{
"id": "jvasp-65192",
"created_at": "2022-09-04T14:35:52.421688Z",
"updated_at": "2022-09-04T14:35:52.421712Z",
"structure_string": "Be1 Zn1 Fe4\n1.0\n0.000000 3.281894 3.281894\n3.281894 0.000000 3.281894\n3.281894 3.281894 0.000000\nBe Zn Fe\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124221 0.625258 0.625258 Fe\n0.625258 0.625258 0.625258 Fe\n0.625258 0.124221 0.625258 Fe\n0.625258 0.625258 0.124221 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Fe"
],
"chemical_system": "Be-Fe-Zn",
"density": 6.994744721708121,
"density_atomic": 0.0848687107809067,
"volume": 70.69743306799292,
"volume_molar": 7.095831555102201,
"formula_full": "Be1 Zn1 Fe4",
"formula_reduced": "BeZnFe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.628379750000001,
"spacegroup": 216
},
{
"id": "jvasp-97453",
"created_at": "2022-09-04T14:35:42.164106Z",
"updated_at": "2022-09-04T14:35:42.164132Z",
"structure_string": "Rb6 Si10 O23\n1.0\n9.573685 0.000000 0.000000\n-4.786842 8.291054 -0.000000\n0.000000 -0.000000 8.188238\nRb Si O\n6 10 23\ndirect\n0.252911 -0.000000 0.500000 Rb\n0.747088 0.747088 0.500000 Rb\n-0.000000 0.241230 0.000000 Rb\n0.241230 -0.000000 0.000000 Rb\n0.758770 0.758770 0.000000 Rb\n-0.000000 0.252911 0.500000 Rb\n0.333333 0.666667 0.802091 Si\n0.604517 -0.000000 0.698867 Si\n0.604517 -0.000000 0.301133 Si\n0.395482 0.395482 0.698867 Si\n-0.000000 0.604517 0.698867 Si\n0.395482 0.395482 0.301133 Si\n0.333333 0.666667 0.197909 Si\n0.666667 0.333333 0.197909 Si\n-0.000000 0.604517 0.301133 Si\n0.666667 0.333333 0.802091 Si\n0.567332 0.149621 0.264210 O\n0.248848 0.248848 0.786462 O\n0.567332 0.149621 0.735790 O\n0.432668 0.582289 0.735790 O\n-0.000000 0.626608 0.500000 O\n0.417711 0.850379 0.735790 O\n-0.000000 0.751151 0.213538 O\n0.626608 -0.000000 0.500000 O\n0.751151 -0.000000 0.213538 O\n0.417711 0.850379 0.264210 O\n0.373392 0.373392 0.500000 O\n0.850379 0.417711 0.735790 O\n0.850379 0.417711 0.264210 O\n0.582289 0.432668 0.264210 O\n0.582289 0.432668 0.735790 O\n0.751151 -0.000000 0.786462 O\n0.149621 0.567332 0.735790 O\n0.432668 0.582289 0.264210 O\n-0.000000 0.751151 0.786462 O\n0.248848 0.248848 0.213538 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.149621 0.567332 0.264210 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Rb",
"Si",
"O"
],
"chemical_system": "O-Rb-Si",
"density": 2.9678661565164903,
"density_atomic": 0.06000470043806736,
"volume": 649.9490825765068,
"volume_molar": 10.036115031047661,
"formula_full": "Rb6 Si10 O23",
"formula_reduced": "Rb6Si10O23",
"formula_anonymous": "A6B10C23",
"energy_above_hull": 2.628361448717948,
"spacegroup": 189
},
{
"id": "jvasp-10332",
"created_at": "2022-09-04T14:37:20.190469Z",
"updated_at": "2022-09-04T14:37:20.190492Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n3.654276 -0.000000 0.000000\n-1.827137 4.809533 -0.000000\n0.000000 -0.000000 11.258094\nMg Mn O\n2 4 10\ndirect\n0.911419 0.822836 0.750000 Mg\n0.088582 0.177165 0.250000 Mg\n0.224816 0.449633 0.597185 Mn\n0.775185 0.550367 0.402813 Mn\n0.775185 0.550367 0.097186 Mn\n0.224816 0.449633 0.902814 Mn\n0.691873 0.383746 0.250000 O\n0.308128 0.616254 0.750000 O\n0.227071 0.454140 0.079442 O\n0.772931 0.545860 0.920558 O\n0.772931 0.545860 0.579442 O\n0.227071 0.454140 0.420557 O\n0.053512 0.107022 0.623315 O\n0.946488 0.892977 0.376684 O\n0.053512 0.107022 0.876684 O\n0.946488 0.892977 0.123316 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.594885061626862,
"density_atomic": 0.08086318769438886,
"volume": 197.86506636950512,
"volume_molar": 7.447320507274387,
"formula_full": "Mg2 Mn4 O10",
"formula_reduced": "MgMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.628275129094827,
"spacegroup": 63
},
{
"id": "jvasp-4654",
"created_at": "2022-09-04T14:37:27.516107Z",
"updated_at": "2022-09-04T14:37:27.516128Z",
"structure_string": "Nb2 P2\n1.0\n3.404025 -0.000000 -0.954670\n-0.267741 3.393479 -0.954670\n-0.202346 -0.218939 5.824631\nNb P\n2 2\ndirect\n0.875001 0.625000 0.250000 Nb\n0.124999 0.375000 0.750000 Nb\n0.375000 0.125000 0.250000 P\n0.625000 0.875000 0.750000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"P"
],
"chemical_system": "Nb-P",
"density": 6.246805034571703,
"density_atomic": 0.06073473701938093,
"volume": 65.86016827114224,
"volume_molar": 9.915480095152612,
"formula_full": "Nb2 P2",
"formula_reduced": "NbP",
"formula_anonymous": "AB",
"energy_above_hull": 2.628207450000001,
"spacegroup": 141
},
{
"id": "jvasp-115154",
"created_at": "2022-09-04T14:38:43.025384Z",
"updated_at": "2022-09-04T14:38:43.025412Z",
"structure_string": "Li1 Y1 Ir1\n1.0\n2.851550 -0.000000 -0.000000\n-0.000000 2.851550 -0.000000\n0.000000 0.000000 8.108872\nLi Y Ir\n1 1 1\ndirect\n0.000000 0.000000 -0.079910 Li\n0.000000 0.000000 0.534408 Y\n0.000000 0.000000 0.219344 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Y",
"Ir"
],
"chemical_system": "Ir-Li-Y",
"density": 7.254632732855755,
"density_atomic": 0.04549868318547289,
"volume": 65.93597418568498,
"volume_molar": 13.235857256464044,
"formula_full": "Li1 Y1 Ir1",
"formula_reduced": "LiYIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.62803885,
"spacegroup": 99
},
{
"id": "jvasp-35181",
"created_at": "2022-09-04T14:38:00.635975Z",
"updated_at": "2022-09-04T14:38:00.635993Z",
"structure_string": "Zr2 Si2 O8\n1.0\n0.000000 4.701619 -0.005284\n5.151271 0.000000 0.000000\n0.000000 -0.732787 -4.869246\nZr Si O\n2 2 8\ndirect\n0.500000 0.721460 0.750000 Zr\n0.500000 0.278540 0.250000 Zr\n-0.000000 0.832735 0.250000 Si\n-0.000000 0.167265 0.750001 Si\n0.248512 0.605428 0.391313 O\n0.751488 0.605428 0.108687 O\n0.751487 0.394572 0.608687 O\n0.248512 0.394572 0.891313 O\n0.219055 0.920595 0.983444 O\n0.780945 0.920595 0.516556 O\n0.780945 0.079405 0.016556 O\n0.219055 0.079405 0.483444 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"O"
],
"chemical_system": "O-Si-Zr",
"density": 5.161327119738428,
"density_atomic": 0.10173824723934277,
"volume": 117.94974186816471,
"volume_molar": 5.9192495677979435,
"formula_full": "Zr2 Si2 O8",
"formula_reduced": "ZrSiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6280078500000004,
"spacegroup": 13
},
{
"id": "jvasp-87958",
"created_at": "2022-09-04T14:35:59.720984Z",
"updated_at": "2022-09-04T14:35:59.721022Z",
"structure_string": "Rb6 Si10 O23\n1.0\n8.075858 0.000000 0.000000\n0.000000 8.138226 -4.670113\n0.000000 0.009386 9.442325\nRb Si O\n6 10 23\ndirect\n0.000000 0.757603 0.000000 Rb\n0.500000 0.990233 0.763292 Rb\n0.500000 0.226941 0.236709 Rb\n0.500000 0.749260 0.000000 Rb\n0.000000 0.243281 0.243487 Rb\n0.000000 -0.000205 0.756513 Rb\n0.200982 0.401224 0.000000 Si\n0.799018 0.401224 0.000000 Si\n0.190926 0.588983 0.610467 Si\n0.809074 0.978517 0.389533 Si\n0.190926 0.978517 0.389533 Si\n0.311939 0.308281 0.652232 Si\n0.688061 0.656049 0.347768 Si\n0.688061 0.308281 0.652232 Si\n0.311939 0.656049 0.347768 Si\n0.809074 0.588983 0.610467 Si\n0.500000 0.606745 0.374301 O\n0.751442 0.237389 0.000000 O\n0.248558 0.237389 0.000000 O\n0.186666 0.152123 0.569789 O\n0.000000 0.534153 0.629195 O\n0.813334 0.582334 0.430211 O\n0.813334 0.152123 0.569789 O\n0.186666 0.582334 0.430211 O\n0.302518 0.855423 0.433382 O\n0.697482 0.422041 0.566618 O\n0.697482 0.855423 0.433382 O\n0.302518 0.422041 0.566618 O\n0.000000 0.904959 0.370806 O\n0.250181 0.997135 0.239629 O\n0.749819 0.997135 0.239629 O\n0.250181 0.757506 0.760372 O\n0.272965 0.576766 0.154209 O\n0.727035 0.422557 0.845791 O\n0.727035 0.576766 0.154209 O\n0.272965 0.422557 0.845791 O\n0.000000 0.433146 0.000000 O\n0.749819 0.757506 0.760372 O\n0.500000 0.232443 0.625699 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Rb",
"Si",
"O"
],
"chemical_system": "O-Rb-Si",
"density": 3.1065519430027466,
"density_atomic": 0.0628086675424644,
"volume": 620.9334081738389,
"volume_molar": 9.58807278617793,
"formula_full": "Rb6 Si10 O23",
"formula_reduced": "Rb6Si10O23",
"formula_anonymous": "A6B10C23",
"energy_above_hull": 2.627995807692307,
"spacegroup": 38
}
]
}