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=formula_reduced&page=944",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=942",
"results": [
{
"id": "jvasp-39901",
"created_at": "2022-09-04T14:37:46.366504Z",
"updated_at": "2022-09-04T14:37:46.366531Z",
"structure_string": "Cd1 Pd3\n1.0\n-2.019123 2.019123 3.993371\n2.019123 -2.019123 3.993371\n2.019123 2.019123 -3.993371\nCd Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.250000 0.500001 Pd\n0.250000 0.750001 0.500001 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd",
"density": 11.007197727378937,
"density_atomic": 0.06142353237566146,
"volume": 65.12162106757906,
"volume_molar": 9.804289214708565,
"formula_full": "Cd1 Pd3",
"formula_reduced": "CdPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0611088000000002,
"spacegroup": 139
},
{
"id": "jvasp-35525",
"created_at": "2022-09-04T14:37:44.312919Z",
"updated_at": "2022-09-04T14:37:44.312947Z",
"structure_string": "Cd1 Pd5 Se1\n1.0\n4.054183 0.000000 0.000000\n0.000000 4.054183 -0.000000\n-0.000000 0.000000 7.167863\nCd Pd Se\n1 5 1\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.281988 Pd\n0.000000 0.500000 0.718012 Pd\n0.500000 0.000000 0.281988 Pd\n0.500000 0.000000 0.718012 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"Se"
],
"chemical_system": "Cd-Pd-Se",
"density": 10.197033176311969,
"density_atomic": 0.059415758752394084,
"volume": 117.81386196162889,
"volume_molar": 10.135595145887699,
"formula_full": "Cd1 Pd5 Se1",
"formula_reduced": "CdPd5Se",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.2365373738095242,
"spacegroup": 123
},
{
"id": "jvasp-81103",
"created_at": "2022-09-04T14:37:17.841243Z",
"updated_at": "2022-09-04T14:37:17.841263Z",
"structure_string": "Cd1 Pd1 Au2\n1.0\n-9.736063 0.000000 -5.621119\n-6.273993 0.292536 -0.375363\n-5.474588 2.553595 -1.759973\nCd Pd Au\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 Cd\n0.000000 0.000000 0.000000 Pd\n0.756768 -0.000001 -0.000000 Au\n0.243232 -0.000000 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"Au"
],
"chemical_system": "Au-Cd-Pd",
"density": 13.260099010869444,
"density_atomic": 0.05212719074796016,
"volume": 76.73538402137137,
"volume_molar": 11.55278209623383,
"formula_full": "Cd1 Pd1 Au2",
"formula_reduced": "CdPdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1470751475,
"spacegroup": 71
},
{
"id": "jvasp-85389",
"created_at": "2022-09-04T14:36:12.485486Z",
"updated_at": "2022-09-04T14:36:12.485499Z",
"structure_string": "Cd1 Pd1 C6 N6\n1.0\n6.746639 0.000015 3.895170\n2.248887 6.360804 3.895182\n-0.000006 0.000010 7.790352\nCd Pd C N\n1 1 6 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499998 0.499999 0.499999 Pd\n0.317459 0.682542 0.317457 C\n0.317457 0.682542 0.682543 C\n0.682544 0.317456 0.317457 C\n0.317457 0.317458 0.682543 C\n0.682544 0.682542 0.317457 C\n0.682545 0.317456 0.682544 C\n0.787822 0.787819 0.212178 N\n0.787820 0.212180 0.787820 N\n0.212179 0.787821 0.787821 N\n0.787820 0.212180 0.212181 N\n0.212179 0.787819 0.212179 N\n0.212179 0.212178 0.787821 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cd",
"Pd",
"C",
"N"
],
"chemical_system": "C-Cd-N-Pd",
"density": 1.8622987543384895,
"density_atomic": 0.041876641510896546,
"volume": 334.3152529640448,
"volume_molar": 14.380667939746322,
"formula_full": "Cd1 Pd1 C6 N6",
"formula_reduced": "CdPd(CN)6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 5.940072496428571,
"spacegroup": 225
},
{
"id": "jvasp-115821",
"created_at": "2022-09-04T14:38:40.210832Z",
"updated_at": "2022-09-04T14:38:40.210857Z",
"structure_string": "Cd1 Pd1 F1\n1.0\n4.544428 0.000000 0.000000\n-2.272214 3.935590 -0.000000\n-0.000000 -0.000000 2.867797\nCd Pd F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.666668 0.333333 0.000000 Pd\n0.333335 0.666666 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"F"
],
"chemical_system": "Cd-F-Pd",
"density": 7.69975953014734,
"density_atomic": 0.058490289805414895,
"volume": 51.29056480965268,
"volume_molar": 10.295966698121035,
"formula_full": "Cd1 Pd1 F1",
"formula_reduced": "CdPdF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-117386",
"created_at": "2022-09-04T14:38:49.800222Z",
"updated_at": "2022-09-04T14:38:49.800249Z",
"structure_string": "Cd2 Pd2 F8\n1.0\n5.450136 -0.000000 0.000000\n0.000000 5.453220 0.114204\n-0.000000 0.011603 5.482443\nCd Pd F\n2 2 8\ndirect\n0.500000 -0.000000 0.500000 Cd\n-0.000000 0.500000 0.499999 Cd\n0.500000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.831931 0.672909 0.839522 F\n0.331931 0.827090 0.160477 F\n0.154270 0.149068 0.660792 F\n0.654270 0.350931 0.339207 F\n0.168069 0.327090 0.160477 F\n0.668070 0.172909 0.839522 F\n0.845731 0.850931 0.339207 F\n0.345731 0.649068 0.660792 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"F"
],
"chemical_system": "Cd-F-Pd",
"density": 6.0093513385230155,
"density_atomic": 0.07364885714057223,
"volume": 162.9353185629998,
"volume_molar": 8.17682852634855,
"formula_full": "Cd2 Pd2 F8",
"formula_reduced": "CdPdF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-3264",
"created_at": "2022-09-04T14:37:40.280978Z",
"updated_at": "2022-09-04T14:37:40.281004Z",
"structure_string": "Cd1 Pd1 F6\n1.0\n4.559390 0.013280 3.371710\n1.707423 4.227638 3.371710\n0.019624 0.013280 5.670634\nCd Pd F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n0.398143 0.054418 0.780851 F\n0.054417 0.780852 0.398144 F\n0.219147 0.601856 0.945582 F\n0.945581 0.219149 0.601856 F\n0.601855 0.945582 0.219149 F\n0.780851 0.398144 0.054418 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"F"
],
"chemical_system": "Cd-F-Pd",
"density": 5.081075479436893,
"density_atomic": 0.07355043875115547,
"volume": 108.76889568349885,
"volume_molar": 8.187770001447332,
"formula_full": "Cd1 Pd1 F6",
"formula_reduced": "CdPdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-113581",
"created_at": "2022-09-04T14:38:48.080035Z",
"updated_at": "2022-09-04T14:38:48.080061Z",
"structure_string": "Cd1 Pd1 Se1\n1.0\n2.826801 0.000000 0.000000\n0.000000 2.826801 0.000000\n0.000000 -0.000000 8.127634\nCd Pd Se\n1 1 1\ndirect\n0.000000 0.000000 0.014750 Cd\n0.000000 0.000000 0.346270 Pd\n0.000000 0.000000 0.647084 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"Se"
],
"chemical_system": "Cd-Pd-Se",
"density": 7.613880471021279,
"density_atomic": 0.04619198693931381,
"volume": 64.94632941296388,
"volume_molar": 13.037197919006553,
"formula_full": "Cd1 Pd1 Se1",
"formula_reduced": "CdPdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3928829388888887,
"spacegroup": 99
},
{
"id": "jvasp-97429",
"created_at": "2022-09-04T14:35:48.395837Z",
"updated_at": "2022-09-04T14:35:48.395868Z",
"structure_string": "Cd4 P8 O24\n1.0\n7.478228 0.000000 0.000000\n0.000000 7.396209 0.000000\n0.000000 0.000000 8.512433\nCd P O\n4 8 24\ndirect\n0.856915 0.977724 0.796364 Cd\n0.356915 0.022276 0.703635 Cd\n0.643085 0.477724 0.203635 Cd\n0.143085 0.522276 0.296365 Cd\n0.163587 0.654409 0.906606 P\n0.663588 0.345591 0.593394 P\n0.440230 0.881350 0.336988 P\n0.336413 0.154409 0.093394 P\n0.059770 0.381350 0.663012 P\n0.559770 0.618650 0.836988 P\n0.940230 0.118650 0.163012 P\n0.836413 0.845591 0.406606 P\n0.396920 0.168387 0.927842 O\n0.364270 0.578553 0.903032 O\n0.922494 0.316903 0.203004 O\n0.077506 0.183097 0.703004 O\n0.864271 0.421447 0.596968 O\n0.853027 0.676654 0.308606 O\n0.603080 0.331613 0.427842 O\n0.442340 0.988871 0.173102 O\n0.646974 0.176654 0.691393 O\n0.577506 0.816904 0.796996 O\n0.810025 0.037981 0.048997 O\n0.557660 0.511129 0.673101 O\n0.689975 0.537981 0.951003 O\n0.057660 0.488871 0.826898 O\n0.942340 0.011129 0.326898 O\n0.135730 0.078553 0.096968 O\n0.103080 0.668387 0.072158 O\n0.146974 0.823346 0.808606 O\n0.189975 0.462019 0.548997 O\n0.353027 0.323346 0.191393 O\n0.310025 0.962019 0.451003 O\n0.896920 0.831613 0.572158 O\n0.422494 0.683097 0.296996 O\n0.635730 0.921447 0.403032 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Cd",
"P",
"O"
],
"chemical_system": "Cd-O-P",
"density": 3.814009663783454,
"density_atomic": 0.07646116612589417,
"volume": 470.8272424295177,
"volume_molar": 7.876077576536666,
"formula_full": "Cd4 P8 O24",
"formula_reduced": "Cd(PO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.207316861111111,
"spacegroup": 19
},
{
"id": "jvasp-51180",
"created_at": "2022-09-04T14:37:04.644605Z",
"updated_at": "2022-09-04T14:37:04.644615Z",
"structure_string": "Cd1 P1 Os2\n1.0\n0.000000 3.167891 3.167891\n3.167891 -0.000000 3.167891\n3.167891 3.167891 -0.000000\nCd P Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"P",
"Os"
],
"chemical_system": "Cd-Os-P",
"density": 13.680784982742349,
"density_atomic": 0.06290994499003122,
"volume": 63.582951799335454,
"volume_molar": 9.572637141797335,
"formula_full": "Cd1 P1 Os2",
"formula_reduced": "CdPOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4602813125,
"spacegroup": 216
},
{
"id": "jvasp-94908",
"created_at": "2022-09-04T14:36:37.696227Z",
"updated_at": "2022-09-04T14:36:37.696241Z",
"structure_string": "Cd1 P1 Pd5\n1.0\n3.972441 -0.000000 -0.000000\n-0.000000 3.972441 -0.000000\n0.000000 0.000000 7.050692\nCd P Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.700345 Pd\n0.000000 0.500000 0.700345 Pd\n0.500000 0.000000 0.299655 Pd\n0.000000 0.500000 0.299655 Pd\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"P",
"Pd"
],
"chemical_system": "Cd-P-Pd",
"density": 10.081333899145049,
"density_atomic": 0.06291459209428345,
"volume": 111.26194682324,
"volume_molar": 9.571930071445516,
"formula_full": "Cd1 P1 Pd5",
"formula_reduced": "CdPPd5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.4721319642857145,
"spacegroup": 123
},
{
"id": "jvasp-35391",
"created_at": "2022-09-04T14:37:48.848377Z",
"updated_at": "2022-09-04T14:37:48.848402Z",
"structure_string": "Cd1 P1 Pt5\n1.0\n3.975711 0.000000 -0.000000\n0.000000 3.975711 0.000000\n-0.000000 -0.000000 7.164726\nCd P Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.298021 Pt\n0.000000 0.500000 0.701980 Pt\n0.500000 0.000000 0.298021 Pt\n0.500000 0.000000 0.701980 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"P",
"Pt"
],
"chemical_system": "Cd-P-Pt",
"density": 16.404923235450607,
"density_atomic": 0.06181143680233387,
"volume": 113.24765063114816,
"volume_molar": 9.742761326286816,
"formula_full": "Cd1 P1 Pt5",
"formula_reduced": "CdPPt5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.269650321428572,
"spacegroup": 123
}
]
}