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=1539",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1537",
"results": [
{
"id": "jvasp-71346",
"created_at": "2022-09-04T14:36:15.670143Z",
"updated_at": "2022-09-04T14:36:15.670163Z",
"structure_string": "Mg1 Be2 Ni1\n1.0\n2.759452 0.000000 0.000000\n0.000000 2.759452 0.000000\n0.000000 0.000000 5.982995\nMg Be Ni\n1 2 1\ndirect\n0.000000 0.000000 0.506407 Mg\n0.000000 0.000000 0.997106 Be\n0.500000 0.500000 0.186125 Be\n0.500000 0.500000 0.810361 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Ni"
],
"chemical_system": "Be-Mg-Ni",
"density": 3.6821715338447465,
"density_atomic": 0.08780023198312499,
"volume": 45.55796618816213,
"volume_molar": 6.858912128110826,
"formula_full": "Mg1 Be2 Ni1",
"formula_reduced": "MgBe2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.95084249375,
"spacegroup": 99
},
{
"id": "jvasp-7747",
"created_at": "2022-09-04T14:36:50.646377Z",
"updated_at": "2022-09-04T14:36:50.646404Z",
"structure_string": "Sr2 N1\n1.0\n3.699342 0.005576 6.216519\n1.714004 3.278315 6.216519\n0.009192 0.005576 7.233959\nSr N\n2 1\ndirect\n0.266767 0.266769 0.266768 Sr\n0.733229 0.733235 0.733232 Sr\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"N"
],
"chemical_system": "N-Sr",
"density": 3.5953227489216224,
"density_atomic": 0.034322722159675904,
"volume": 87.40565465767614,
"volume_molar": 17.54563851894918,
"formula_full": "Sr2 N1",
"formula_reduced": "Sr2N",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9509386233333328,
"spacegroup": 166
},
{
"id": "jvasp-8809",
"created_at": "2022-09-04T14:37:05.345359Z",
"updated_at": "2022-09-04T14:37:05.345391Z",
"structure_string": "Na2 As2 Se4\n1.0\n8.616898 -0.001186 -0.001226\n8.618346 6.901167 0.175323\n4.310012 4.678578 3.535700\nNa As Se\n2 2 4\ndirect\n-0.012817 -0.000028 0.000011 Na\n0.762817 0.500028 -0.000013 Na\n0.205217 0.499966 0.000032 As\n0.544783 0.000035 -0.000034 As\n-0.028586 0.525960 0.450240 Se\n0.473554 0.474104 0.549701 Se\n0.276446 0.025897 0.450298 Se\n0.778586 0.974042 0.549758 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"As",
"Se"
],
"chemical_system": "As-Na-Se",
"density": 4.181065359450815,
"density_atomic": 0.039368063738136,
"volume": 203.2104005219431,
"volume_molar": 15.297020447988984,
"formula_full": "Na2 As2 Se4",
"formula_reduced": "NaAsSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9509843708333334,
"spacegroup": 15
},
{
"id": "jvasp-100518",
"created_at": "2022-09-04T14:37:04.105101Z",
"updated_at": "2022-09-04T14:37:04.105121Z",
"structure_string": "Yb1 Eu3\n1.0\n4.570308 -0.096025 -4.190061\n-0.948171 4.471902 -4.190061\n0.079485 0.096025 6.199839\nYb Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250001 0.500001 Eu\n0.250000 0.750000 0.500000 Eu\n0.500000 0.500000 0.000001 Eu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Eu"
],
"chemical_system": "Eu-Yb",
"density": 8.040430427343235,
"density_atomic": 0.03079544613483241,
"volume": 129.88933436738367,
"volume_molar": 19.55529636957725,
"formula_full": "Yb1 Eu3",
"formula_reduced": "YbEu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9510426749999998,
"spacegroup": 139
},
{
"id": "jvasp-111024",
"created_at": "2022-09-04T14:38:36.839658Z",
"updated_at": "2022-09-04T14:38:36.839669Z",
"structure_string": "Na2 Tb1 O3\n1.0\n4.264536 -0.010951 -4.109635\n-0.433331 3.231265 -4.944354\n0.019464 0.010951 5.922414\nTb Na O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.677036 0.677034 0.000001 Na\n0.322965 0.322965 0.000000 Na\n0.500000 -0.000000 0.500000 O\n0.147338 0.647338 0.499999 O\n0.852662 0.352661 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Na",
"O"
],
"chemical_system": "Na-O-Tb",
"density": 5.115682302912124,
"density_atomic": 0.07308892690311745,
"volume": 82.09177852553863,
"volume_molar": 8.239470758658982,
"formula_full": "Na2 Tb1 O3",
"formula_reduced": "Na2TbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9510628166666668,
"spacegroup": 71
},
{
"id": "jvasp-5767",
"created_at": "2022-09-04T14:37:42.314349Z",
"updated_at": "2022-09-04T14:37:42.314367Z",
"structure_string": "Pd12 S12 Cl12\n1.0\n0.000000 7.729347 -0.027330\n11.979054 0.000000 0.000000\n0.000000 -3.299926 -8.624024\nPd S Cl\n12 12 12\ndirect\n0.603628 0.372530 0.098010 Pd\n0.349047 0.750000 0.439562 Pd\n0.650953 0.250000 0.560438 Pd\n0.658807 0.750000 0.795286 Pd\n0.909872 0.125465 0.453288 Pd\n0.090128 0.625465 0.546712 Pd\n0.341193 0.250000 0.204714 Pd\n0.909872 0.374535 0.453288 Pd\n0.603628 0.127469 0.098010 Pd\n0.396372 0.627469 0.901989 Pd\n0.396372 0.872530 0.901989 Pd\n0.090128 0.874535 0.546712 Pd\n0.918081 0.339670 0.208671 S\n0.360337 0.970461 0.678110 S\n0.918081 0.160330 0.208671 S\n0.081919 0.660330 0.791329 S\n0.081919 0.839670 0.791329 S\n0.548678 0.878597 0.598339 S\n0.451322 0.378597 0.401661 S\n0.639663 0.470461 0.321889 S\n0.548678 0.621402 0.598339 S\n0.639663 0.029538 0.321889 S\n0.360337 0.529538 0.678110 S\n0.451322 0.121403 0.401661 S\n0.587707 0.250000 0.886264 Cl\n0.728871 0.603944 0.985942 Cl\n0.271129 0.103944 0.014058 Cl\n0.412292 0.750000 0.113736 Cl\n0.728871 0.896055 0.985942 Cl\n0.168189 0.250000 0.568075 Cl\n0.140265 0.897083 0.304426 Cl\n0.140265 0.602916 0.304426 Cl\n0.859735 0.102916 0.695574 Cl\n0.859735 0.397083 0.695574 Cl\n0.831810 0.750000 0.431925 Cl\n0.271129 0.396056 0.014058 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Pd",
"S",
"Cl"
],
"chemical_system": "Cl-Pd-S",
"density": 4.334732853965525,
"density_atomic": 0.045023579803029866,
"volume": 799.5810230437825,
"volume_molar": 13.375526304984618,
"formula_full": "Pd12 S12 Cl12",
"formula_reduced": "PdSCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9511099224999998,
"spacegroup": 11
},
{
"id": "jvasp-54866",
"created_at": "2022-09-04T14:37:55.247887Z",
"updated_at": "2022-09-04T14:37:55.247919Z",
"structure_string": "Mn4 Br8\n1.0\n6.659206 0.000000 3.844694\n2.219735 6.278360 3.844694\n0.000000 0.000000 7.689389\nMn Br\n4 8\ndirect\n0.500001 0.500000 -0.000001 Mn\n0.500001 0.500000 0.499999 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.747326 0.747325 0.747324 Br\n0.747326 0.258026 0.747324 Br\n0.252675 0.252675 0.252675 Br\n0.252676 0.741974 0.252674 Br\n0.252675 0.252675 0.741974 Br\n0.258027 0.747325 0.747324 Br\n0.741975 0.252675 0.252674 Br\n0.747326 0.747325 0.258025 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Br"
],
"chemical_system": "Br-Mn",
"density": 4.436839989547396,
"density_atomic": 0.037326799135069,
"volume": 321.48483872344275,
"volume_molar": 16.133557924987258,
"formula_full": "Mn4 Br8",
"formula_reduced": "MnBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9511184837931036,
"spacegroup": 227
},
{
"id": "jvasp-22590",
"created_at": "2022-09-04T14:35:50.654953Z",
"updated_at": "2022-09-04T14:35:50.654978Z",
"structure_string": "Hg4 O8\n1.0\n4.909491 -0.000000 0.000000\n0.000000 6.085760 0.000000\n0.000000 0.000000 6.148227\nHg O\n4 8\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.415050 0.569321 0.427466 O\n0.084950 0.069321 0.572535 O\n0.084950 0.569321 0.927466 O\n0.415050 0.069321 0.072534 O\n0.584950 0.430679 0.572535 O\n0.584950 0.930679 0.927466 O\n0.915050 0.430679 0.072534 O\n0.915050 0.930679 0.427466 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hg",
"O"
],
"chemical_system": "Hg-O",
"density": 8.41001370284759,
"density_atomic": 0.06532509690438139,
"volume": 183.6966276156439,
"volume_molar": 9.218724571989258,
"formula_full": "Hg4 O8",
"formula_reduced": "HgO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9511805333333332,
"spacegroup": 61
},
{
"id": "jvasp-64419",
"created_at": "2022-09-04T14:36:19.248406Z",
"updated_at": "2022-09-04T14:36:19.248434Z",
"structure_string": "Ba4 Zr1 Se1\n1.0\n0.000000 4.990188 4.990188\n4.990188 0.000000 4.990188\n4.990188 4.990188 -0.000000\nBa Zr Se\n4 1 1\ndirect\n0.126272 0.624576 0.624576 Ba\n0.624576 0.624576 0.624576 Ba\n0.624576 0.126272 0.624576 Ba\n0.624576 0.624576 0.126272 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Se"
],
"chemical_system": "Ba-Se-Zr",
"density": 4.8072238831428376,
"density_atomic": 0.024141849165070117,
"volume": 248.5310863710126,
"volume_molar": 24.94481975603259,
"formula_full": "Ba4 Zr1 Se1",
"formula_reduced": "Ba4ZrSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9512202911111112,
"spacegroup": 216
},
{
"id": "jvasp-38548",
"created_at": "2022-09-04T14:38:01.453116Z",
"updated_at": "2022-09-04T14:38:01.453125Z",
"structure_string": "Na1 Ho3\n1.0\n4.943514 -0.000000 -0.000000\n-0.000000 4.943514 -0.000000\n0.000000 -0.000000 4.943514\nNa Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ho"
],
"chemical_system": "Ho-Na",
"density": 7.116847749683988,
"density_atomic": 0.03310950485970721,
"volume": 120.81122979485632,
"volume_molar": 18.188555780333267,
"formula_full": "Na1 Ho3",
"formula_reduced": "NaHo3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.951261425,
"spacegroup": 221
},
{
"id": "jvasp-74541",
"created_at": "2022-09-04T14:36:10.531434Z",
"updated_at": "2022-09-04T14:36:10.531450Z",
"structure_string": "Hf1 Be1 Cd2\n1.0\n-2.341730 2.341730 3.310053\n2.341730 -2.341730 3.310053\n2.341730 2.341730 -3.310053\nHf Be Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Hf\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-Hf",
"density": 9.4301657244546,
"density_atomic": 0.05509236458260244,
"volume": 72.60534250626729,
"volume_molar": 10.93098981251882,
"formula_full": "Hf1 Be1 Cd2",
"formula_reduced": "HfBeCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.95136215,
"spacegroup": 216
},
{
"id": "jvasp-40189",
"created_at": "2022-09-04T14:38:01.249438Z",
"updated_at": "2022-09-04T14:38:01.249467Z",
"structure_string": "Ca4 Sn2 S8\n1.0\n0.000000 5.022217 -3.497761\n0.000000 -5.022217 -3.497761\n-9.726222 0.000000 0.000000\nCa Sn S\n4 2 8\ndirect\n0.140387 0.524809 0.250000 Ca\n0.524809 0.140387 0.750000 Ca\n0.796083 0.796083 0.500000 Ca\n0.796083 0.796083 0.000000 Ca\n0.541534 0.097955 0.250000 Sn\n0.097955 0.541534 0.750000 Sn\n0.925167 0.051911 0.250000 S\n0.051911 0.925167 0.750000 S\n0.618052 0.510241 0.250000 S\n0.510241 0.618052 0.750000 S\n0.347874 0.880383 0.448958 S\n0.880383 0.347874 0.551041 S\n0.347874 0.880383 0.051041 S\n0.880383 0.347874 0.948958 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.1793209937919937,
"density_atomic": 0.04097021632862727,
"volume": 341.7116445689287,
"volume_molar": 14.698825878036986,
"formula_full": "Ca4 Sn2 S8",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.95136322,
"spacegroup": 40
}
]
}