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=created_at&page=7",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=5",
"results": [
{
"id": "jvasp-66365",
"created_at": "2022-09-04T14:35:40.868252Z",
"updated_at": "2022-09-04T14:35:40.868277Z",
"structure_string": "Ba1 Na1 Pb1\n1.0\n-0.000000 4.032198 4.032198\n4.032198 -0.000000 4.032198\n4.032198 4.032198 -0.000000\nBa Na Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Pb"
],
"chemical_system": "Ba-Na-Pb",
"density": 4.65447511068907,
"density_atomic": 0.022880510469020985,
"volume": 131.11595582895072,
"volume_molar": 26.319958062796122,
"formula_full": "Ba1 Na1 Pb1",
"formula_reduced": "BaNaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0758344649999999,
"spacegroup": 216
},
{
"id": "jvasp-18548",
"created_at": "2022-09-04T14:35:40.873521Z",
"updated_at": "2022-09-04T14:35:40.873541Z",
"structure_string": "Ta4 O1\n1.0\n3.244772 0.000000 0.000000\n0.000000 3.244772 0.000000\n0.000000 0.000000 7.417185\nTa O\n4 1\ndirect\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.783587 Ta\n0.500000 0.500000 0.216414 Ta\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 15.730792821392557,
"density_atomic": 0.06402690686549738,
"volume": 78.09216850821174,
"volume_molar": 9.405640620201808,
"formula_full": "Ta4 O1",
"formula_reduced": "Ta4O",
"formula_anonymous": "AB4",
"energy_above_hull": 6.104232059999999,
"spacegroup": 123
},
{
"id": "jvasp-71098",
"created_at": "2022-09-04T14:35:40.882398Z",
"updated_at": "2022-09-04T14:35:40.882421Z",
"structure_string": "Zr1 Be2 Cd1\n1.0\n4.261114 -0.000000 -0.000000\n0.000000 4.261114 -0.000000\n0.000000 0.000000 3.422804\nZr Be Cd\n1 2 1\ndirect\n0.000000 0.000000 0.499999 Zr\n0.499999 0.000000 0.000000 Be\n0.000000 0.499999 0.000000 Be\n0.499999 0.499999 0.499999 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-Zr",
"density": 5.922524184699091,
"density_atomic": 0.06436231461367482,
"volume": 62.1481689092352,
"volume_molar": 9.356625528691753,
"formula_full": "Zr1 Be2 Cd1",
"formula_reduced": "ZrBe2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5467466125,
"spacegroup": 123
},
{
"id": "jvasp-75696",
"created_at": "2022-09-04T14:35:40.885667Z",
"updated_at": "2022-09-04T14:35:40.885687Z",
"structure_string": "As1 Ru1 Au1\n1.0\n0.000000 3.097794 3.097794\n3.097794 0.000000 3.097794\n3.097794 3.097794 -0.000000\nAs Ru Au\n1 1 1\ndirect\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Ru\n0.749999 0.749999 0.749999 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"As",
"Ru",
"Au"
],
"chemical_system": "As-Au-Ru",
"density": 10.416495319968087,
"density_atomic": 0.05045842103359887,
"volume": 59.45489253423889,
"volume_molar": 11.934857723728655,
"formula_full": "As1 Ru1 Au1",
"formula_reduced": "AsRuAu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.43195994,
"spacegroup": 216
},
{
"id": "jvasp-67244",
"created_at": "2022-09-04T14:35:40.893402Z",
"updated_at": "2022-09-04T14:35:40.893428Z",
"structure_string": "Ta1 Be1 Sn1\n1.0\n-1.585399 1.585399 5.057616\n1.585399 -1.585399 5.057616\n1.585399 1.585399 -5.057616\nTa Be Sn\n1 1 1\ndirect\n0.640714 0.640714 0.000000 Ta\n0.016462 0.016462 0.000000 Be\n0.342825 0.342825 0.000000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Sn"
],
"chemical_system": "Be-Sn-Ta",
"density": 10.080001646690148,
"density_atomic": 0.05899813063021731,
"volume": 50.84906874089122,
"volume_molar": 10.20734164908543,
"formula_full": "Ta1 Be1 Sn1",
"formula_reduced": "TaBeSn",
"formula_anonymous": "ABC",
"energy_above_hull": 2.774495666666666,
"spacegroup": 107
},
{
"id": "jvasp-86726",
"created_at": "2022-09-04T14:35:40.894114Z",
"updated_at": "2022-09-04T14:35:40.894135Z",
"structure_string": "Lu1 Ni4 Sn1\n1.0\n4.284492 0.000000 2.473653\n1.428164 4.039457 2.473653\n0.000000 0.000000 4.947304\nLu Ni Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.624876 0.624877 0.125369 Ni\n0.624876 0.125369 0.624876 Ni\n0.125368 0.624877 0.624876 Ni\n0.624876 0.624877 0.624876 Ni\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Sn"
],
"chemical_system": "Lu-Ni-Sn",
"density": 10.248553429008409,
"density_atomic": 0.07007455155565853,
"volume": 85.62309521502031,
"volume_molar": 8.59390552819558,
"formula_full": "Lu1 Ni4 Sn1",
"formula_reduced": "LuNi4Sn",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.020451175,
"spacegroup": 216
},
{
"id": "jvasp-106153",
"created_at": "2022-09-04T14:35:40.895772Z",
"updated_at": "2022-09-04T14:35:40.895805Z",
"structure_string": "Zn1 Ag1 N1\n1.0\n3.452348 0.000028 0.000000\n-1.726149 2.989849 0.000000\n0.000000 0.000000 4.327619\nZn Ag N\n1 1 1\ndirect\n0.000010 0.000036 0.500000 Zn\n0.666668 0.333388 0.000000 Ag\n0.666675 0.333376 0.500000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"N"
],
"chemical_system": "Ag-N-Zn",
"density": 6.96201040249882,
"density_atomic": 0.06715933398053055,
"volume": 44.669889086001035,
"volume_molar": 8.966945326982865,
"formula_full": "Zn1 Ag1 N1",
"formula_reduced": "ZnAgN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0620436366666668,
"spacegroup": 187
},
{
"id": "jvasp-93080",
"created_at": "2022-09-04T14:35:40.896316Z",
"updated_at": "2022-09-04T14:35:40.896332Z",
"structure_string": "Mg6 Si1 Mo1\n1.0\n6.054066 0.203876 0.000000\n-2.850472 4.937162 0.000000\n0.000000 0.000000 4.993121\nMg Si Mo\n6 1 1\ndirect\n0.654023 0.327703 0.250000 Mg\n0.654023 0.826320 0.250000 Mg\n0.337750 0.160674 0.750000 Mg\n0.337750 0.677077 0.750000 Mg\n0.854326 0.177164 0.750000 Mg\n0.854024 0.677013 0.750000 Mg\n0.158243 0.329121 0.250000 Si\n0.149866 0.824932 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Mo"
],
"chemical_system": "Mg-Mo-Si",
"density": 2.9452414076293647,
"density_atomic": 0.052581202414044494,
"volume": 152.1456268155479,
"volume_molar": 11.453029758770752,
"formula_full": "Mg6 Si1 Mo1",
"formula_reduced": "Mg6SiMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6085048499999999,
"spacegroup": 38
},
{
"id": "jvasp-63775",
"created_at": "2022-09-04T14:35:40.897842Z",
"updated_at": "2022-09-04T14:35:40.897869Z",
"structure_string": "Li2 B12 H20 O4\n1.0\n4.464199 5.387480 0.018070\n-4.464199 5.387480 0.018070\n0.000000 3.480553 6.336140\nLi B H O\n2 12 20 4\ndirect\n0.361669 0.361669 0.516499 Li\n0.638330 0.638330 0.483501 Li\n0.798324 0.997157 0.221169 B\n0.949248 0.949248 0.810555 B\n0.823867 0.823867 0.084070 B\n0.176133 0.176133 0.915930 B\n0.090962 0.768707 0.968265 B\n0.050752 0.050752 0.189445 B\n0.909037 0.231293 0.031735 B\n0.768707 0.090962 0.968265 B\n0.997157 0.798324 0.221169 B\n0.201676 0.002843 0.778831 B\n0.002843 0.201676 0.778831 B\n0.231293 0.909037 0.031735 B\n0.603705 0.155356 0.946239 H\n0.087133 0.087133 0.322173 H\n0.912867 0.912867 0.677827 H\n0.698236 0.698236 0.145293 H\n0.301763 0.301763 0.854707 H\n0.155356 0.603705 0.946239 H\n0.396295 0.844644 0.053761 H\n0.844644 0.396295 0.053761 H\n0.992587 0.654158 0.379116 H\n0.721855 0.546534 0.830989 H\n0.007413 0.345841 0.620883 H\n0.654158 0.992587 0.379116 H\n0.453465 0.278145 0.169011 H\n0.546534 0.721855 0.830989 H\n0.278145 0.453465 0.169011 H\n0.757523 0.300956 0.376994 H\n0.699044 0.242476 0.623006 H\n0.242476 0.699044 0.623006 H\n0.300956 0.757523 0.376994 H\n0.345841 0.007413 0.620883 H\n0.376007 0.376007 0.242136 O\n0.337940 0.662059 0.500000 O\n0.662059 0.337940 0.500000 O\n0.623993 0.623993 0.757864 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"B",
"H",
"O"
],
"chemical_system": "B-H-Li-O",
"density": 1.243263859360523,
"density_atomic": 0.12491095361299683,
"volume": 304.2167151948326,
"volume_molar": 4.821147053810822,
"formula_full": "Li2 B12 H20 O4",
"formula_reduced": "LiB6(H5O)2",
"formula_anonymous": "AB2C6D10",
"energy_above_hull": 3.8263180263157897,
"spacegroup": 12
},
{
"id": "jvasp-71866",
"created_at": "2022-09-04T14:35:40.897888Z",
"updated_at": "2022-09-04T14:35:40.897905Z",
"structure_string": "Be1 P1 Cl2\n1.0\n-1.754394 1.754394 6.139304\n1.754394 -1.754394 6.139304\n1.754394 1.754394 -6.139304\nBe P Cl\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 Cl\n0.250000 0.749999 0.499999 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Cl"
],
"chemical_system": "Be-Cl-P",
"density": 2.436215474526072,
"density_atomic": 0.052920823587892955,
"volume": 75.58461355682881,
"volume_molar": 11.379529553235686,
"formula_full": "Be1 P1 Cl2",
"formula_reduced": "BePCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.36389993375,
"spacegroup": 119
},
{
"id": "jvasp-85486",
"created_at": "2022-09-04T14:35:40.898238Z",
"updated_at": "2022-09-04T14:35:40.898266Z",
"structure_string": "Te2 Pb4 O10\n1.0\n5.335403 -0.000803 2.282050\n1.762926 6.141868 3.255544\n0.012907 -0.048641 7.352156\nTe Pb O\n2 4 10\ndirect\n0.048968 0.216168 0.685748 Te\n0.048995 0.716167 0.185750 Te\n0.381840 0.536009 0.684451 Pb\n0.716064 0.896339 0.687068 Pb\n0.397495 0.035967 0.184814 Pb\n0.700492 0.396378 0.186706 Pb\n0.293103 0.696273 0.315879 O\n0.988795 0.422751 0.814623 O\n0.804900 0.736065 0.055609 O\n0.694557 0.196234 0.815963 O\n0.773440 0.922167 0.315207 O\n0.403375 0.236101 0.555524 O\n0.324546 0.510160 0.056303 O\n0.109140 0.009576 0.556887 O\n0.181631 0.966477 0.935946 O\n0.916327 0.465868 0.435556 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Te",
"Pb",
"O"
],
"chemical_system": "O-Pb-Te",
"density": 8.55702859576828,
"density_atomic": 0.06627894437930723,
"volume": 241.403965465016,
"volume_molar": 9.086054125328157,
"formula_full": "Te2 Pb4 O10",
"formula_reduced": "TePb2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8021446133333328,
"spacegroup": 15
},
{
"id": "jvasp-66090",
"created_at": "2022-09-04T14:35:40.898841Z",
"updated_at": "2022-09-04T14:35:40.898868Z",
"structure_string": "Ba4 Mg1 Os1\n1.0\n-0.000000 4.810686 4.810686\n4.810686 0.000000 4.810686\n4.810686 4.810686 -0.000000\nBa Mg Os\n4 1 1\ndirect\n0.121089 0.626304 0.626304 Ba\n0.626304 0.626304 0.626304 Ba\n0.626304 0.121089 0.626304 Ba\n0.626304 0.626304 0.121089 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Os"
],
"chemical_system": "Ba-Mg-Os",
"density": 5.6964222264752715,
"density_atomic": 0.026946367110582913,
"volume": 222.66452376964614,
"volume_molar": 22.348618406652918,
"formula_full": "Ba4 Mg1 Os1",
"formula_reduced": "Ba4MgOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9455529883333332,
"spacegroup": 216
}
]
}