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=-density&page=1588",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=1586",
"results": [
{
"id": "jvasp-71209",
"created_at": "2022-09-04T14:35:45.952545Z",
"updated_at": "2022-09-04T14:35:45.952565Z",
"structure_string": "Be1 Sb2 Pb1\n1.0\n3.851822 0.000000 -0.000000\n0.000000 3.851822 0.000000\n-0.000000 0.000000 7.330161\nBe Sb Pb\n1 2 1\ndirect\n0.000000 0.000000 0.328670 Be\n0.000000 0.000000 -0.004676 Sb\n0.500000 0.500000 0.380673 Sb\n0.500000 0.500000 0.795331 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sb",
"Pb"
],
"chemical_system": "Be-Pb-Sb",
"density": 7.019530595435649,
"density_atomic": 0.036780197675566347,
"volume": 108.7541735170516,
"volume_molar": 16.373323528928726,
"formula_full": "Be1 Sb2 Pb1",
"formula_reduced": "BeSb2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.40949728,
"spacegroup": 99
},
{
"id": "jvasp-35419",
"created_at": "2022-09-04T14:37:33.404442Z",
"updated_at": "2022-09-04T14:37:33.404463Z",
"structure_string": "Ti1 Ga5 Co1\n1.0\n4.074027 0.000000 0.000000\n-0.000000 4.074027 -0.000000\n0.000000 -0.000000 6.491515\nTi Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.296472 Ga\n0.000000 0.500000 0.703529 Ga\n0.500000 0.000000 0.296472 Ga\n0.500000 0.000000 0.703529 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Ti",
"density": 7.018797998071061,
"density_atomic": 0.064968698875974,
"volume": 107.74419252820626,
"volume_molar": 9.269295621105691,
"formula_full": "Ti1 Ga5 Co1",
"formula_reduced": "TiGa5Co",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.7579272654761904,
"spacegroup": 123
},
{
"id": "jvasp-75794",
"created_at": "2022-09-04T14:35:45.096396Z",
"updated_at": "2022-09-04T14:35:45.096414Z",
"structure_string": "Y1 As1 Ru1\n1.0\n-0.000000 3.152667 3.152667\n3.152667 -0.000000 3.152667\n3.152667 3.152667 0.000000\nY As Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"As",
"Ru"
],
"chemical_system": "As-Ru-Y",
"density": 7.018795303428967,
"density_atomic": 0.0478692867343379,
"volume": 62.67066431654226,
"volume_molar": 12.58038540123089,
"formula_full": "Y1 As1 Ru1",
"formula_reduced": "YAsRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7240259,
"spacegroup": 216
},
{
"id": "jvasp-10057",
"created_at": "2022-09-04T14:38:09.652093Z",
"updated_at": "2022-09-04T14:38:09.652108Z",
"structure_string": "Zn2 Mo4 O8\n1.0\n5.888608 -0.881234 0.011992\n2.181133 5.540301 0.011992\n2.699704 1.558675 4.408599\nZn Mo O\n2 4 8\ndirect\n0.124999 0.625000 0.625000 Zn\n0.624999 0.125001 0.625000 Zn\n0.103241 0.103241 -0.103241 Mo\n0.146759 0.146760 0.353241 Mo\n0.625000 0.625001 0.125000 Mo\n0.624999 0.625001 0.625000 Mo\n0.346984 0.346985 0.406925 O\n0.412637 0.851889 0.367736 O\n0.346984 0.346985 0.899105 O\n0.851888 0.412639 0.367736 O\n0.398110 0.837363 0.882263 O\n0.837361 0.398113 0.882263 O\n0.903015 0.903016 0.350894 O\n0.903015 0.903017 0.843074 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 7.018673925941718,
"density_atomic": 0.09208977169175028,
"volume": 152.02556964590855,
"volume_molar": 6.539424139477462,
"formula_full": "Zn2 Mo4 O8",
"formula_reduced": "Zn(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.053768028571428,
"spacegroup": 74
},
{
"id": "jvasp-57621",
"created_at": "2022-09-04T14:37:09.767985Z",
"updated_at": "2022-09-04T14:37:09.768012Z",
"structure_string": "Co2 Rh4 O8\n1.0\n5.227938 -0.000072 3.018286\n1.742566 4.928958 3.018384\n-0.000079 0.000063 6.036719\nCo Rh O\n2 4 8\ndirect\n0.124995 0.125002 0.125002 Co\n0.875005 0.874998 0.874997 Co\n0.500002 0.500001 -0.000002 Rh\n0.499999 0.000000 0.500001 Rh\n0.500000 0.500000 0.500001 Rh\n-0.000000 0.500001 0.499999 Rh\n0.741598 0.741562 0.741563 O\n0.741565 0.275279 0.741594 O\n0.741562 0.741599 0.275279 O\n0.258437 0.258403 0.724719 O\n0.258404 0.258439 0.258437 O\n0.275280 0.741561 0.741563 O\n0.258439 0.724719 0.258406 O\n0.724719 0.258439 0.258438 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Rh",
"O"
],
"chemical_system": "Co-O-Rh",
"density": 7.018494489575189,
"density_atomic": 0.0899990621146263,
"volume": 155.55717660889684,
"volume_molar": 6.691337241192544,
"formula_full": "Co2 Rh4 O8",
"formula_reduced": "Co(RhO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.925251557142857,
"spacegroup": 227
},
{
"id": "jvasp-79285",
"created_at": "2022-09-04T14:37:12.622057Z",
"updated_at": "2022-09-04T14:37:12.622074Z",
"structure_string": "Si2 Hg1 Te1\n1.0\n-0.000000 3.569241 3.569241\n3.569241 0.000000 3.569241\n3.569241 3.569241 0.000000\nSi Hg Te\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"Hg",
"Te"
],
"chemical_system": "Hg-Si-Te",
"density": 7.01828171899941,
"density_atomic": 0.04398477516684068,
"volume": 90.94055806418052,
"volume_molar": 13.691421036386206,
"formula_full": "Si2 Hg1 Te1",
"formula_reduced": "Si2HgTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5517898916666668,
"spacegroup": 225
},
{
"id": "jvasp-70755",
"created_at": "2022-09-04T14:36:13.722993Z",
"updated_at": "2022-09-04T14:36:13.723024Z",
"structure_string": "Be2 Ga1 Pb1\n1.0\n2.851388 -3.729930 0.000000\n2.851388 3.729930 0.000000\n0.000000 0.000000 3.280791\nBe Ga Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Pb"
],
"chemical_system": "Be-Ga-Pb",
"density": 7.018237439069779,
"density_atomic": 0.057318449212905596,
"volume": 69.78555866266137,
"volume_molar": 10.506461432044604,
"formula_full": "Be2 Ga1 Pb1",
"formula_reduced": "Be2GaPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.05763383625,
"spacegroup": 65
},
{
"id": "jvasp-98306",
"created_at": "2022-09-04T14:36:15.490258Z",
"updated_at": "2022-09-04T14:36:15.490279Z",
"structure_string": "Pr2 Mo12 O24\n1.0\n7.959046 -0.039296 -2.261337\n-4.551207 6.529508 -2.261337\n0.020633 0.039296 8.274033\nPr Mo O\n2 12 24\ndirect\n0.793755 0.793755 -0.000001 Pr\n0.206245 0.206245 -0.000000 Pr\n0.815533 0.664440 0.479972 Mo\n0.335560 0.815533 0.151093 Mo\n0.184467 0.335560 0.520027 Mo\n0.523534 0.676175 0.523221 Mo\n0.676175 0.152953 0.152641 Mo\n0.664440 0.184467 0.848906 Mo\n0.152953 0.000312 0.476778 Mo\n0.476466 0.323825 0.476778 Mo\n0.323825 0.847047 0.847358 Mo\n0.999688 0.476466 0.152640 Mo\n0.847047 0.999688 0.523221 Mo\n0.000312 0.523535 0.847359 Mo\n0.164468 0.208058 0.702729 O\n0.505328 0.461739 0.297270 O\n0.208057 0.505328 0.043589 O\n0.836432 0.461006 0.297438 O\n0.163568 0.538994 0.702561 O\n0.538993 0.836432 0.375425 O\n0.159874 0.123490 0.283364 O\n0.123490 0.840126 0.963615 O\n0.461739 0.164469 0.956411 O\n0.461006 0.163568 0.624574 O\n0.791943 0.494672 0.956410 O\n0.502549 0.874859 0.711502 O\n0.835531 0.791942 0.297270 O\n0.538261 0.835531 0.043588 O\n0.163355 0.791047 0.288497 O\n0.791047 0.502550 0.627690 O\n0.874858 0.163355 0.372308 O\n0.876510 0.159874 0.036384 O\n0.836645 0.208953 0.711502 O\n0.208953 0.497451 0.372308 O\n0.125141 0.836645 0.627691 O\n0.497451 0.125142 0.288497 O\n0.494672 0.538261 0.702729 O\n0.840125 0.876510 0.716635 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Pr",
"Mo",
"O"
],
"chemical_system": "Mo-O-Pr",
"density": 7.018218013299614,
"density_atomic": 0.08838673486978027,
"volume": 429.9287676593689,
"volume_molar": 6.81339883057383,
"formula_full": "Pr2 Mo12 O24",
"formula_reduced": "Pr(MoO2)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 4.295589855263158,
"spacegroup": 87
},
{
"id": "jvasp-104865",
"created_at": "2022-09-04T14:36:56.119948Z",
"updated_at": "2022-09-04T14:36:56.119977Z",
"structure_string": "Pm1 Be1 O3\n1.0\n3.629104 -0.000000 0.000000\n0.000000 3.629104 0.000000\n-0.000000 0.000000 3.629104\nPm Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.499999 0.499999 0.499999 Be\n0.499999 0.499999 -0.000000 O\n0.499999 0.000000 0.499999 O\n-0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pm",
"Be",
"O"
],
"chemical_system": "Be-O-Pm",
"density": 7.018180687532578,
"density_atomic": 0.10460965316634187,
"volume": 47.796736234746916,
"volume_molar": 5.756773469484766,
"formula_full": "Pm1 Be1 O3",
"formula_reduced": "PmBeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7141295549999995,
"spacegroup": 221
},
{
"id": "jvasp-20811",
"created_at": "2022-09-04T14:37:42.940143Z",
"updated_at": "2022-09-04T14:37:42.940156Z",
"structure_string": "Er4 B16\n1.0\n7.060723 -0.000000 -0.000000\n-0.000000 7.060723 -0.000000\n0.000000 -0.000000 3.996206\nEr B\n4 16\ndirect\n0.181140 0.681140 0.000000 Er\n0.681140 0.818860 0.000000 Er\n0.318860 0.181140 0.000000 Er\n0.818860 0.318860 0.000000 Er\n0.176546 0.961405 0.500000 B\n0.038594 0.176546 0.500000 B\n0.413090 0.913090 0.500000 B\n0.913090 0.586910 0.500000 B\n0.086910 0.413090 0.500000 B\n0.586910 0.086910 0.500000 B\n0.500000 0.500000 0.202501 B\n0.500000 0.500000 0.797500 B\n0.823453 0.038594 0.500000 B\n0.000000 0.000000 0.202501 B\n0.461406 0.676546 0.500000 B\n0.538594 0.323453 0.500000 B\n0.676546 0.538594 0.500000 B\n0.323453 0.461406 0.500000 B\n0.000000 0.000000 0.797500 B\n0.961405 0.823453 0.500000 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Er",
"B"
],
"chemical_system": "B-Er",
"density": 7.018126029900404,
"density_atomic": 0.10038845726209553,
"volume": 199.22609177849733,
"volume_molar": 5.998837838773948,
"formula_full": "Er4 B16",
"formula_reduced": "ErB4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.983162066666667,
"spacegroup": 127
},
{
"id": "jvasp-94909",
"created_at": "2022-09-04T14:36:38.997142Z",
"updated_at": "2022-09-04T14:36:38.997172Z",
"structure_string": "Fe2 Co1 Se4\n1.0\n0.000000 3.492790 0.000000\n0.039487 0.000000 6.076918\n5.404582 -1.746395 -2.825436\nFe Co Se\n2 1 4\ndirect\n0.740077 0.695055 0.480152 Fe\n0.259925 0.304945 0.519849 Fe\n0.000000 0.000000 0.000000 Co\n0.635590 0.978808 0.271178 Se\n0.364412 0.021191 0.728822 Se\n0.890046 0.552919 0.780091 Se\n0.109955 0.447080 0.219909 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Se"
],
"chemical_system": "Co-Fe-Se",
"density": 7.017918660072688,
"density_atomic": 0.060814520242287666,
"volume": 115.10408981459854,
"volume_molar": 9.902471870217067,
"formula_full": "Fe2 Co1 Se4",
"formula_reduced": "Fe2CoSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5237150523809526,
"spacegroup": 12
},
{
"id": "jvasp-106402",
"created_at": "2022-09-04T14:36:52.966759Z",
"updated_at": "2022-09-04T14:36:52.966777Z",
"structure_string": "Tm2 Al2 O6\n1.0\n3.408610 0.000000 0.000000\n-1.704305 2.951942 0.000000\n-0.000000 -0.000000 11.471723\nTm Al O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333334 0.666666 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333334 0.666666 0.090701 O\n0.333334 0.666666 0.409299 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.909299 O\n0.666667 0.333333 0.590701 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"Al",
"O"
],
"chemical_system": "Al-O-Tm",
"density": 7.01781546521418,
"density_atomic": 0.08663357060226283,
"volume": 115.42869502528393,
"volume_molar": 6.951278491853715,
"formula_full": "Tm2 Al2 O6",
"formula_reduced": "TmAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.46900751,
"spacegroup": 194
}
]
}