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=-updated_at&page=4354",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4352",
"results": [
{
"id": "jvasp-64898",
"created_at": "2022-09-04T14:35:50.323711Z",
"updated_at": "2022-09-04T14:35:50.323740Z",
"structure_string": "Mn1 Be2 Nb1\n1.0\n-1.796380 1.796380 3.664335\n1.796380 -1.796380 3.664335\n1.796380 1.796380 -3.664335\nMn Be Nb\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Nb"
],
"chemical_system": "Be-Mn-Nb",
"density": 5.8232064426315295,
"density_atomic": 0.08456845702101255,
"volume": 47.2989592207663,
"volume_molar": 7.121024755723865,
"formula_full": "Mn1 Be2 Nb1",
"formula_reduced": "MnBe2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.372064710344827,
"spacegroup": 119
},
{
"id": "jvasp-94882",
"created_at": "2022-09-04T14:35:50.321314Z",
"updated_at": "2022-09-04T14:35:50.321344Z",
"structure_string": "Ca1 Ni5 H1\n1.0\n0.000000 0.000000 -3.955429\n-2.522031 -4.255436 0.000000\n-2.522157 4.255564 0.000000\nCa Ni H\n1 5 1\ndirect\n0.000000 0.002278 0.997728 Ca\n0.000000 0.660683 0.339342 Ni\n0.000000 0.338382 0.661610 Ni\n0.500000 0.502928 0.497069 Ni\n0.500000 0.007842 0.505671 Ni\n0.500000 0.494358 0.992166 Ni\n0.500000 0.857635 0.142413 H\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"H"
],
"chemical_system": "Ca-H-Ni",
"density": 6.543023732766715,
"density_atomic": 0.08244467063972308,
"volume": 84.90542743010602,
"volume_molar": 7.3044633610294785,
"formula_full": "Ca1 Ni5 H1",
"formula_reduced": "CaNi5H",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.173331774285714,
"spacegroup": 38
},
{
"id": "jvasp-71710",
"created_at": "2022-09-04T14:35:50.319296Z",
"updated_at": "2022-09-04T14:35:50.319312Z",
"structure_string": "K1 Be2 Pt1\n1.0\n2.998283 0.000000 -0.000000\n0.000000 2.998283 0.000000\n0.000000 0.000000 7.551773\nK Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.503062 K\n0.000000 0.000000 0.992729 Be\n0.500000 0.500000 0.149142 Be\n0.500000 0.500000 0.855067 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Pt"
],
"chemical_system": "Be-K-Pt",
"density": 6.168953312491911,
"density_atomic": 0.05892041806243931,
"volume": 67.8881808978529,
"volume_molar": 10.220804532680335,
"formula_full": "K1 Be2 Pt1",
"formula_reduced": "KBe2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3653679,
"spacegroup": 99
},
{
"id": "jvasp-70921",
"created_at": "2022-09-04T14:35:50.317308Z",
"updated_at": "2022-09-04T14:35:50.317324Z",
"structure_string": "Be1 Ni1 Pd2\n1.0\n2.717707 -0.000000 0.000000\n0.000000 2.717707 -0.000000\n0.000000 -0.000000 6.598681\nBe Ni Pd\n1 1 2\ndirect\n0.000000 0.000000 0.517517 Be\n0.500001 0.500001 0.704155 Ni\n0.000000 0.000000 0.979130 Pd\n0.500001 0.500001 0.299197 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Pd"
],
"chemical_system": "Be-Ni-Pd",
"density": 9.558508519586333,
"density_atomic": 0.08207248657439283,
"volume": 48.73740478636878,
"volume_molar": 7.337587797515264,
"formula_full": "Be1 Ni1 Pd2",
"formula_reduced": "BeNiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4764399750000003,
"spacegroup": 99
},
{
"id": "jvasp-43657",
"created_at": "2022-09-04T14:35:50.315974Z",
"updated_at": "2022-09-04T14:35:50.316003Z",
"structure_string": "Fe4 P4 O16\n1.0\n4.753218 -0.000000 0.000000\n0.000000 6.485370 0.000000\n0.000000 0.000000 8.723208\nFe P O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.528744 0.750000 0.176733 P\n0.028744 0.250000 0.323267 P\n0.971256 0.750000 0.676734 P\n0.471256 0.250000 0.823267 P\n0.782912 0.250000 0.877514 O\n0.934841 0.750000 0.856181 O\n0.434841 0.250000 0.643820 O\n0.282911 0.750000 0.622486 O\n0.824695 0.553680 0.619362 O\n0.824695 0.946320 0.619362 O\n0.175305 0.053680 0.380638 O\n0.065159 0.250000 0.143820 O\n0.717089 0.250000 0.377514 O\n0.565160 0.750000 0.356181 O\n0.324695 0.446320 0.880639 O\n0.217089 0.750000 0.122486 O\n0.675306 0.553680 0.119362 O\n0.675306 0.946320 0.119362 O\n0.175305 0.446320 0.380638 O\n0.324695 0.053680 0.880639 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.7252792195701057,
"density_atomic": 0.08925088315672364,
"volume": 268.90490212692066,
"volume_molar": 6.747429881926415,
"formula_full": "Fe4 P4 O16",
"formula_reduced": "FePO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6558958333333336,
"spacegroup": 62
},
{
"id": "jvasp-75703",
"created_at": "2022-09-04T14:35:50.309033Z",
"updated_at": "2022-09-04T14:35:50.309064Z",
"structure_string": "As1 Ir2 Pt1\n1.0\n-0.000000 3.159895 3.159895\n3.159895 0.000000 3.159895\n3.159895 3.159895 -0.000000\nAs Ir Pt\n1 2 1\ndirect\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"Ir",
"Pt"
],
"chemical_system": "As-Ir-Pt",
"density": 17.221489737662626,
"density_atomic": 0.0633887285139468,
"volume": 63.102701281031685,
"volume_molar": 9.500333736265128,
"formula_full": "As1 Ir2 Pt1",
"formula_reduced": "AsIr2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6413513375,
"spacegroup": 216
},
{
"id": "jvasp-72123",
"created_at": "2022-09-04T14:35:50.306386Z",
"updated_at": "2022-09-04T14:35:50.306414Z",
"structure_string": "Ti1 Be1 Nb2\n1.0\n-1.953354 1.953354 4.154472\n1.953354 -1.953354 4.154472\n1.953354 1.953354 -4.154472\nTi Be Nb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Nb\n0.250000 0.749999 0.499999 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Nb"
],
"chemical_system": "Be-Nb-Ti",
"density": 6.355748656390312,
"density_atomic": 0.06308443987347619,
"volume": 63.40707800564616,
"volume_molar": 9.54615872325753,
"formula_full": "Ti1 Be1 Nb2",
"formula_reduced": "TiBeNb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.177380808333333,
"spacegroup": 119
},
{
"id": "jvasp-91900",
"created_at": "2022-09-04T14:35:50.304215Z",
"updated_at": "2022-09-04T14:35:50.304229Z",
"structure_string": "Ba1 Mg7\n1.0\n7.017651 -0.000000 -0.000000\n-3.508825 6.077463 -0.000000\n-0.000000 0.000000 5.252769\nBa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ba\n0.181680 0.840840 0.250000 Mg\n0.659160 0.318319 0.250000 Mg\n0.659159 0.840840 0.250000 Mg\n0.349816 0.150184 0.750000 Mg\n0.349816 0.699633 0.750000 Mg\n0.800366 0.150184 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Mg"
],
"chemical_system": "Ba-Mg",
"density": 2.2789676127424445,
"density_atomic": 0.03570981456221317,
"volume": 224.0280465770133,
"volume_molar": 16.864105383432626,
"formula_full": "Ba1 Mg7",
"formula_reduced": "BaMg7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0812471169852941,
"spacegroup": 187
},
{
"id": "jvasp-64437",
"created_at": "2022-09-04T14:35:50.304074Z",
"updated_at": "2022-09-04T14:35:50.304094Z",
"structure_string": "Ba4 Nb1 Zn1\n1.0\n-0.000000 4.978272 4.978272\n4.978272 -0.000000 4.978272\n4.978272 4.978272 -0.000000\nBa Nb Zn\n4 1 1\ndirect\n0.125279 0.624907 0.624907 Ba\n0.624907 0.624907 0.624907 Ba\n0.624907 0.125279 0.624907 Ba\n0.624907 0.624907 0.125279 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Zn"
],
"chemical_system": "Ba-Nb-Zn",
"density": 4.761956353316363,
"density_atomic": 0.024315622354838803,
"volume": 246.7549426636823,
"volume_molar": 24.766549965773734,
"formula_full": "Ba4 Nb1 Zn1",
"formula_reduced": "Ba4NbZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7059406133333334,
"spacegroup": 216
},
{
"id": "jvasp-99286",
"created_at": "2022-09-04T14:35:50.303526Z",
"updated_at": "2022-09-04T14:35:50.303562Z",
"structure_string": "Si12 O24\n1.0\n8.732081 -0.000000 -3.087258\n-4.366040 7.562204 -3.087258\n0.000000 0.000000 9.261770\nSi O\n12 24\ndirect\n0.249050 0.624525 0.124525 Si\n0.624526 0.500000 0.375474 Si\n0.875474 0.500000 0.124525 Si\n0.875474 0.375474 0.750949 Si\n0.624526 0.124526 0.249050 Si\n0.124526 0.875474 0.500000 Si\n0.500000 0.124526 0.875474 Si\n0.500000 0.375474 0.624525 Si\n0.750949 0.875474 0.375474 Si\n0.375474 0.750949 0.875474 Si\n0.124526 0.249050 0.624526 Si\n0.375474 0.624525 0.500000 Si\n0.264037 0.632019 0.632019 O\n0.367981 0.632019 -0.000000 O\n0.500000 0.912831 0.087168 O\n0.632019 -0.000000 0.367981 O\n-0.000000 0.632019 0.367980 O\n0.912831 0.087168 0.500000 O\n0.367981 0.735962 0.367980 O\n0.500000 0.587168 0.412831 O\n0.825663 0.412831 0.912831 O\n0.735962 0.367981 0.367980 O\n0.632019 0.367981 -0.000000 O\n0.087168 0.500000 0.912831 O\n-0.000000 0.367981 0.632019 O\n0.412831 0.500000 0.587168 O\n0.587168 0.174337 0.087168 O\n0.587168 0.412831 0.500000 O\n0.632019 0.632019 0.264037 O\n0.087168 0.587168 0.174337 O\n0.367981 0.367981 0.735962 O\n0.632019 0.264037 0.632019 O\n0.912831 0.825663 0.412831 O\n0.412831 0.912831 0.825662 O\n0.174337 0.087168 0.587168 O\n0.367981 -0.000000 0.632019 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9576327103535975,
"density_atomic": 0.05886299620135584,
"volume": 611.589662830836,
"volume_molar": 10.230775102578429,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9974085333333336,
"spacegroup": 211
},
{
"id": "jvasp-65677",
"created_at": "2022-09-04T14:35:50.296971Z",
"updated_at": "2022-09-04T14:35:50.296987Z",
"structure_string": "Ba1 Ga1 Br2\n1.0\n4.165557 0.000000 0.000000\n0.000000 4.165557 -0.000000\n0.000000 0.000000 7.228461\nBa Ga Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.741600 Br\n0.000000 0.000000 0.258400 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Br"
],
"chemical_system": "Ba-Br-Ga",
"density": 4.856854421483424,
"density_atomic": 0.03189098886992707,
"volume": 125.4272802989802,
"volume_molar": 18.88351842761084,
"formula_full": "Ba1 Ga1 Br2",
"formula_reduced": "BaGaBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-67271",
"created_at": "2022-09-04T14:35:50.296525Z",
"updated_at": "2022-09-04T14:35:50.296551Z",
"structure_string": "Mg1 Be1 Tc1\n1.0\n-1.345495 1.345495 5.797978\n1.345495 -1.345495 5.797978\n1.345495 1.345495 -5.797978\nMg Be Tc\n1 1 1\ndirect\n0.339209 0.339209 0.000000 Mg\n0.012204 0.012204 0.000000 Be\n0.648587 0.648587 0.000000 Tc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Tc"
],
"chemical_system": "Be-Mg-Tc",
"density": 5.193617015438853,
"density_atomic": 0.07145300924439367,
"volume": 41.98563547882184,
"volume_molar": 8.428113558383837,
"formula_full": "Mg1 Be1 Tc1",
"formula_reduced": "MgBeTc",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9953422166666663,
"spacegroup": 107
}
]
}