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=-chemical_system&page=1207",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1205",
"results": [
{
"id": "jvasp-92563",
"created_at": "2022-09-04T14:36:04.154487Z",
"updated_at": "2022-09-04T14:36:04.154514Z",
"structure_string": "Tl1 H1 Pd3\n1.0\n4.126646 0.000000 0.000000\n0.000000 4.126646 0.000000\n-0.000000 0.000000 4.126646\nTl H Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 H\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"H",
"Pd"
],
"chemical_system": "H-Pd-Tl",
"density": 12.397329842671812,
"density_atomic": 0.07115056602793762,
"volume": 70.27350981349502,
"volume_molar": 8.463939355922168,
"formula_full": "Tl1 H1 Pd3",
"formula_reduced": "TlHPd3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.43115594,
"spacegroup": 221
},
{
"id": "jvasp-90047",
"created_at": "2022-09-04T14:36:02.606490Z",
"updated_at": "2022-09-04T14:36:02.606507Z",
"structure_string": "Ti4 H3 Pd2\n1.0\n2.833826 0.000000 0.000000\n0.000000 2.833821 0.000000\n0.000000 0.000000 12.673012\nTi H Pd\n4 3 2\ndirect\n0.000000 0.000000 0.339484 Ti\n0.000000 0.000000 0.660498 Ti\n0.500001 0.500000 0.827469 Ti\n0.500001 0.500000 0.172511 Ti\n0.500001 0.500000 -0.000016 H\n0.500001 0.500000 0.321202 H\n0.500001 0.500000 0.678779 H\n0.000000 0.000000 -0.000017 Pd\n0.500001 0.500000 0.499989 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"H",
"Pd"
],
"chemical_system": "H-Pd-Ti",
"density": 6.646178392641912,
"density_atomic": 0.08843355186283383,
"volume": 101.77132785483482,
"volume_molar": 6.809791796376935,
"formula_full": "Ti4 H3 Pd2",
"formula_reduced": "Ti4H3Pd2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.426712748148148,
"spacegroup": 123
},
{
"id": "jvasp-37546",
"created_at": "2022-09-04T14:38:03.031859Z",
"updated_at": "2022-09-04T14:38:03.031881Z",
"structure_string": "Ti2 H4 Pd1\n1.0\n-1.463163 1.463163 6.702265\n1.463163 -1.463163 6.702265\n1.463163 1.463163 -6.702265\nTi H Pd\n2 4 1\ndirect\n0.345546 0.345546 0.000000 Ti\n0.654455 0.654455 0.000000 Ti\n0.870377 0.870377 0.000000 H\n0.129625 0.129625 0.000000 H\n0.750001 0.250000 0.500000 H\n0.250000 0.750001 0.500000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"H",
"Pd"
],
"chemical_system": "H-Pd-Ti",
"density": 5.965416320800592,
"density_atomic": 0.12196382403806194,
"volume": 57.39406791488819,
"volume_molar": 4.937645082463662,
"formula_full": "Ti2 H4 Pd1",
"formula_reduced": "Ti2H4Pd",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1440331952380958,
"spacegroup": 139
},
{
"id": "jvasp-91573",
"created_at": "2022-09-04T14:35:52.300926Z",
"updated_at": "2022-09-04T14:35:52.300937Z",
"structure_string": "Ti4 H2 Pd2\n1.0\n2.879343 0.000000 0.000000\n0.000000 2.879343 -0.000000\n0.000000 -0.000000 11.978631\nTi H Pd\n4 2 2\ndirect\n0.000000 0.000000 0.332856 Ti\n0.000000 0.000000 0.667144 Ti\n0.499999 0.499999 0.841504 Ti\n0.499999 0.499999 0.158496 Ti\n0.499999 0.499999 0.316785 H\n0.499999 0.499999 0.683215 H\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.500000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"H",
"Pd"
],
"chemical_system": "H-Pd-Ti",
"density": 6.7940298650357835,
"density_atomic": 0.08055564775376432,
"volume": 99.31023116409817,
"volume_molar": 7.475752387229222,
"formula_full": "Ti4 H2 Pd2",
"formula_reduced": "Ti2HPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8547705916666666,
"spacegroup": 123
},
{
"id": "jvasp-92719",
"created_at": "2022-09-04T14:36:21.045778Z",
"updated_at": "2022-09-04T14:36:21.045805Z",
"structure_string": "Ti2 H2 Pd1\n1.0\n-0.000000 -2.827940 0.000000\n-2.827968 -0.000000 0.000000\n1.413984 1.413971 -6.344326\nTi H Pd\n2 2 1\ndirect\n0.342071 0.342072 0.684141 Ti\n0.657929 0.657930 0.315859 Ti\n0.809916 0.809917 0.619833 H\n0.190085 0.190085 0.380168 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"H",
"Pd"
],
"chemical_system": "H-Pd-Ti",
"density": 6.682063498886876,
"density_atomic": 0.0985461885256069,
"volume": 50.73762947920372,
"volume_molar": 6.110982931049806,
"formula_full": "Ti2 H2 Pd1",
"formula_reduced": "Ti2H2Pd",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9845244733333334,
"spacegroup": 139
},
{
"id": "jvasp-101060",
"created_at": "2022-09-04T14:36:54.976689Z",
"updated_at": "2022-09-04T14:36:54.976710Z",
"structure_string": "Sr1 H3 Pd1\n1.0\n3.837905 -0.000000 0.000000\n0.000000 3.837905 0.000000\n-0.000000 0.000000 3.837905\nSr H Pd\n1 3 1\ndirect\n0.499999 0.499999 0.499999 Sr\n0.499999 0.000000 -0.000000 H\n-0.000000 0.499999 -0.000000 H\n0.000000 0.000000 0.499999 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"H",
"Pd"
],
"chemical_system": "H-Pd-Sr",
"density": 5.78859724274171,
"density_atomic": 0.08844786275528721,
"volume": 56.530478456373004,
"volume_molar": 6.8086899698885155,
"formula_full": "Sr1 H3 Pd1",
"formula_reduced": "SrH3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.767834402,
"spacegroup": 221
},
{
"id": "jvasp-37646",
"created_at": "2022-09-04T14:38:04.457235Z",
"updated_at": "2022-09-04T14:38:04.457260Z",
"structure_string": "Sc1 H4 Pd3\n1.0\n4.216342 0.000000 0.000000\n-0.000000 4.216342 -0.000000\n-0.000000 -0.000000 4.216342\nSc H Pd\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"H",
"Pd"
],
"chemical_system": "H-Pd-Sc",
"density": 8.157960831268529,
"density_atomic": 0.10672901352640388,
"volume": 74.95618797245668,
"volume_molar": 5.642458935039414,
"formula_full": "Sc1 H4 Pd3",
"formula_reduced": "ScH4Pd3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.56873029375,
"spacegroup": 221
},
{
"id": "jvasp-53967",
"created_at": "2022-09-04T14:35:56.497299Z",
"updated_at": "2022-09-04T14:35:56.497329Z",
"structure_string": "Rb4 H8 Pd2\n1.0\n5.844560 -0.000000 0.000000\n-0.000000 5.844560 0.000000\n0.000000 0.000000 8.491059\nRb H Pd\n4 8 2\ndirect\n0.000000 0.500000 0.250000 Rb\n0.500000 0.000000 0.750000 Rb\n0.000000 0.500000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.500000 0.500000 0.303661 H\n0.000000 0.000000 0.803661 H\n0.500000 0.500000 0.696339 H\n0.000000 0.000000 0.196339 H\n0.298079 0.701921 0.500000 H\n0.701921 0.298079 0.500000 H\n0.201921 0.201921 0.000000 H\n0.798080 0.798080 0.000000 H\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"H",
"Pd"
],
"chemical_system": "H-Pd-Rb",
"density": 3.2219454007779595,
"density_atomic": 0.048268359004673585,
"volume": 290.0450789852717,
"volume_molar": 12.476373517104458,
"formula_full": "Rb4 H8 Pd2",
"formula_reduced": "Rb2H4Pd",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5991508142857145,
"spacegroup": 136
},
{
"id": "jvasp-116146",
"created_at": "2022-09-04T14:38:40.940874Z",
"updated_at": "2022-09-04T14:38:40.940908Z",
"structure_string": "Rb1 H1 Pd1\n1.0\n3.419811 0.000000 0.000000\n0.000000 3.419811 0.000000\n-0.000000 0.000000 6.756381\nRb H Pd\n1 1 1\ndirect\n0.000000 0.000000 0.658999 Rb\n0.000000 0.000000 0.014551 H\n0.000000 0.000000 0.250818 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"H",
"Pd"
],
"chemical_system": "H-Pd-Rb",
"density": 4.053716683031367,
"density_atomic": 0.037966705446390074,
"volume": 79.01660059064314,
"volume_molar": 15.861636371118403,
"formula_full": "Rb1 H1 Pd1",
"formula_reduced": "RbHPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1964885666666667,
"spacegroup": 99
},
{
"id": "jvasp-51716",
"created_at": "2022-09-04T14:38:15.400946Z",
"updated_at": "2022-09-04T14:38:15.400972Z",
"structure_string": "Rb6 H10 Pd2\n1.0\n7.685193 -0.000000 0.000000\n-0.000000 7.685193 0.000000\n0.000000 0.000000 6.013351\nRb H Pd\n6 10 2\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.184561 0.684560 0.500000 Rb\n0.815439 0.315439 0.500000 Rb\n0.684560 0.815439 0.500000 Rb\n0.315439 0.184561 0.500000 Rb\n0.109871 0.390128 0.193285 H\n0.890128 0.609871 0.193285 H\n0.609871 0.109871 0.193285 H\n0.390128 0.890128 0.193285 H\n0.890128 0.609871 0.806715 H\n0.609871 0.109871 0.806715 H\n0.390128 0.890128 0.806715 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.109871 0.390128 0.806715 Pd\n0.000000 0.500000 0.000000 Pd\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"H",
"Pd"
],
"chemical_system": "H-Pd-Rb",
"density": 3.439847648815048,
"density_atomic": 0.050681142161717804,
"volume": 355.1616880015062,
"volume_molar": 11.882409320579297,
"formula_full": "Rb6 H10 Pd2",
"formula_reduced": "Rb3H5Pd",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.5058795222222223,
"spacegroup": 8
},
{
"id": "jvasp-104959",
"created_at": "2022-09-04T14:36:51.018433Z",
"updated_at": "2022-09-04T14:36:51.018454Z",
"structure_string": "H4 Pd3\n1.0\n3.009023 -0.000000 0.000000\n0.000000 3.009023 0.000000\n0.000000 -0.000000 6.881932\nH Pd\n4 3\ndirect\n0.500000 0.000000 0.094534 H\n0.500000 0.000000 0.672538 H\n-0.000000 0.500000 0.094534 H\n-0.000000 0.500000 0.672538 H\n0.000000 0.000000 0.931423 Pd\n0.000000 0.000000 0.534855 Pd\n0.500000 0.500000 0.249578 Pd\n",
"nsites": 7,
"nelements": 2,
"elements": [
"H",
"Pd"
],
"chemical_system": "H-Pd",
"density": 8.61553678846682,
"density_atomic": 0.11234057650193396,
"volume": 62.31052232386838,
"volume_molar": 5.360610518049396,
"formula_full": "H4 Pd3",
"formula_reduced": "H4Pd3",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.503968157142857,
"spacegroup": 99
},
{
"id": "jvasp-107558",
"created_at": "2022-09-04T14:36:50.233159Z",
"updated_at": "2022-09-04T14:36:50.233179Z",
"structure_string": "H3 Pd4\n1.0\n2.870793 -0.000401 9.149651\n1.401375 2.505515 9.149651\n-0.000683 -0.000401 9.589451\nH Pd\n3 4\ndirect\n0.262566 0.262566 0.262567 H\n0.499999 0.499999 0.500001 H\n0.737433 0.737432 0.737435 H\n0.125167 0.125167 0.125167 Pd\n0.874832 0.874832 0.874834 Pd\n0.374264 0.374263 0.374265 Pd\n0.625735 0.625735 0.625737 Pd\n",
"nsites": 7,
"nelements": 2,
"elements": [
"H",
"Pd"
],
"chemical_system": "H-Pd",
"density": 10.316856155342034,
"density_atomic": 0.10144694300304803,
"volume": 69.0015863739697,
"volume_molar": 5.936246654390622,
"formula_full": "H3 Pd4",
"formula_reduced": "H3Pd4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.3403418285714284,
"spacegroup": 166
}
]
}