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=261",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=259",
"results": [
{
"id": "jvasp-49894",
"created_at": "2022-09-04T14:35:49.271087Z",
"updated_at": "2022-09-04T14:35:49.271116Z",
"structure_string": "Pr1 Ti1 O3\n1.0\n3.934841 0.000000 0.000000\n0.000000 3.934841 0.000000\n-0.000000 -0.000000 3.934841\nPr Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Ti",
"O"
],
"chemical_system": "O-Pr-Ti",
"density": 6.453561235346542,
"density_atomic": 0.082070757217238,
"volume": 60.923039698113186,
"volume_molar": 7.33774241178211,
"formula_full": "Pr1 Ti1 O3",
"formula_reduced": "PrTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0478077366666665,
"spacegroup": 221
},
{
"id": "jvasp-2017",
"created_at": "2022-09-04T14:35:49.272977Z",
"updated_at": "2022-09-04T14:35:49.272997Z",
"structure_string": "Li1 Co1 O2\n1.0\n2.719107 -0.002637 4.091454\n1.233611 2.423171 4.091454\n-0.004307 -0.002637 4.912589\nLi Co O\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.260021 0.260020 0.260021 O\n0.739979 0.739977 0.739979 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 5.009441717839867,
"density_atomic": 0.12329269443230238,
"volume": 32.443122590660245,
"volume_molar": 4.884426273372296,
"formula_full": "Li1 Co1 O2",
"formula_reduced": "LiCoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.777779475,
"spacegroup": 166
},
{
"id": "jvasp-74754",
"created_at": "2022-09-04T14:35:49.277301Z",
"updated_at": "2022-09-04T14:35:49.277326Z",
"structure_string": "Ta1 Be2 Pd1\n1.0\n-1.878544 1.878544 3.676361\n1.878544 -1.878544 3.676361\n1.878544 1.878544 -3.676361\nTa Be Pd\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Pd"
],
"chemical_system": "Be-Pd-Ta",
"density": 9.772062039381654,
"density_atomic": 0.07707953858441256,
"volume": 51.89444661269549,
"volume_molar": 7.812891554098936,
"formula_full": "Ta1 Be2 Pd1",
"formula_reduced": "TaBe2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.008324275,
"spacegroup": 119
},
{
"id": "jvasp-90460",
"created_at": "2022-09-04T14:35:49.278875Z",
"updated_at": "2022-09-04T14:35:49.278895Z",
"structure_string": "Sr1 Hf1 Mg6\n1.0\n6.359079 -1.702624 0.000000\n-4.654055 8.061061 0.000000\n0.000000 0.000000 4.664325\nSr Hf Mg\n1 1 6\ndirect\n0.249983 0.374991 0.250000 Sr\n0.250020 0.875008 0.250000 Hf\n0.750030 0.375035 0.250000 Mg\n0.750030 0.874994 0.250000 Mg\n0.249997 0.103966 0.750001 Mg\n0.249998 0.646033 0.750001 Mg\n0.707950 0.103975 0.750001 Mg\n0.791998 0.646000 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg-Sr",
"density": 3.384053642472416,
"density_atomic": 0.03957711779657666,
"volume": 202.13700353621968,
"volume_molar": 15.21621860124666,
"formula_full": "Sr1 Hf1 Mg6",
"formula_reduced": "SrHfMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-71173",
"created_at": "2022-09-04T14:35:49.279002Z",
"updated_at": "2022-09-04T14:35:49.279037Z",
"structure_string": "Be2 In1 Sb1\n1.0\n3.132856 -3.757367 0.000000\n3.132856 3.757367 0.000000\n0.000000 0.000000 3.119361\nBe In Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.500001 0.000000 0.500000 In\n0.000000 0.500001 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Sb"
],
"chemical_system": "Be-In-Sb",
"density": 5.756941887255773,
"density_atomic": 0.05446785938590141,
"volume": 73.43780433264777,
"volume_molar": 11.05631986991357,
"formula_full": "Be2 In1 Sb1",
"formula_reduced": "Be2InSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3801995675000005,
"spacegroup": 65
},
{
"id": "jvasp-42842",
"created_at": "2022-09-04T14:35:49.280251Z",
"updated_at": "2022-09-04T14:35:49.280277Z",
"structure_string": "Na14 Co2 O9\n1.0\n3.300444 -5.716536 -0.000000\n3.300443 5.716536 0.000000\n0.000000 -0.000000 9.285795\nNa Co O\n14 2 9\ndirect\n0.674822 0.034963 0.092200 Na\n0.325177 0.965036 0.907800 Na\n0.622145 0.934186 0.593201 Na\n0.639857 0.674821 0.907800 Na\n0.034964 0.360142 0.907800 Na\n0.687958 0.622145 0.406800 Na\n0.312041 0.377854 0.593201 Na\n0.065812 0.687958 0.593201 Na\n0.360142 0.325178 0.092200 Na\n0.000000 0.000000 0.250942 Na\n0.000000 0.000000 0.749059 Na\n0.377854 0.065812 0.406800 Na\n0.934187 0.312041 0.406800 Na\n0.965035 0.639857 0.092200 Na\n0.666667 0.333332 0.737178 Co\n0.333332 0.666667 0.262823 Co\n0.333332 0.666667 0.044898 O\n0.695879 0.637066 0.663364 O\n0.304120 0.362933 0.336637 O\n0.941186 0.304119 0.663364 O\n0.666667 0.333332 0.955103 O\n0.362933 0.058813 0.663364 O\n0.637065 0.941186 0.336637 O\n0.000000 0.000000 0.000000 O\n0.058813 0.695880 0.336637 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 2.7662897783851466,
"density_atomic": 0.07134863618174263,
"volume": 350.39212153009925,
"volume_molar": 8.440442708197137,
"formula_full": "Na14 Co2 O9",
"formula_reduced": "Na14Co2O9",
"formula_anonymous": "A2B9C14",
"energy_above_hull": 0.8854643719999999,
"spacegroup": 147
},
{
"id": "jvasp-72022",
"created_at": "2022-09-04T14:35:49.286393Z",
"updated_at": "2022-09-04T14:35:49.286419Z",
"structure_string": "Na2 Be1 Pt1\n1.0\n-1.816107 1.816107 4.829184\n1.816107 -1.816107 4.829184\n1.816107 1.816107 -4.829184\nNa Be Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.750001 0.250000 0.500001 Be\n0.250000 0.750001 0.500001 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Pt"
],
"chemical_system": "Be-Na-Pt",
"density": 6.517844832295231,
"density_atomic": 0.06278319055938487,
"volume": 63.71132088638456,
"volume_molar": 9.591963559583396,
"formula_full": "Na2 Be1 Pt1",
"formula_reduced": "Na2BePt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7753013750000001,
"spacegroup": 139
},
{
"id": "jvasp-70764",
"created_at": "2022-09-04T14:35:49.288211Z",
"updated_at": "2022-09-04T14:35:49.288239Z",
"structure_string": "Be2 Se1 Cl1\n1.0\n4.380306 0.000000 -0.000000\n0.000000 4.380306 -0.000000\n-0.000000 0.000000 3.133138\nBe Se Cl\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Se",
"Cl"
],
"chemical_system": "Be-Cl-Se",
"density": 3.658231630302482,
"density_atomic": 0.06653827938761771,
"volume": 60.11577150497179,
"volume_molar": 9.050640947473429,
"formula_full": "Be2 Se1 Cl1",
"formula_reduced": "Be2SeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3922299085416667,
"spacegroup": 123
},
{
"id": "jvasp-36921",
"created_at": "2022-09-04T14:35:49.288286Z",
"updated_at": "2022-09-04T14:35:49.288312Z",
"structure_string": "Ni1 Ag1 F3\n1.0\n3.978137 -0.008798 -0.000567\n0.010077 3.978359 -0.004888\n0.001824 0.004250 3.977905\nNi Ag F\n1 1 3\ndirect\n0.511878 0.502154 0.500002 Ni\n0.011998 0.001972 0.000003 Ag\n0.511997 0.501817 0.000003 F\n0.011943 0.501963 0.500033 F\n0.512181 0.002096 0.499958 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ni",
"density": 5.896521085518255,
"density_atomic": 0.07941981290372269,
"volume": 62.9565824596098,
"volume_molar": 7.582668026806345,
"formula_full": "Ni1 Ag1 F3",
"formula_reduced": "NiAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-98029",
"created_at": "2022-09-04T14:35:49.290149Z",
"updated_at": "2022-09-04T14:35:49.290171Z",
"structure_string": "Nd8 N4 Cl12\n1.0\n6.251099 -0.000000 0.000000\n0.000000 6.854459 0.000000\n0.000000 0.000000 13.463579\nNd N Cl\n8 4 12\ndirect\n0.006022 0.823149 0.907545 Nd\n0.493979 0.823149 0.092455 Nd\n0.993979 0.676851 0.407545 Nd\n0.993979 0.176851 0.092455 Nd\n0.493979 0.323149 0.407545 Nd\n0.506022 0.176851 0.907545 Nd\n0.006022 0.323149 0.592455 Nd\n0.506022 0.676851 0.592455 Nd\n0.750000 0.492516 0.500000 N\n0.750000 0.992516 0.000000 N\n0.250000 0.507484 0.500000 N\n0.250000 0.007484 0.000000 N\n0.250000 0.997575 0.500000 Cl\n0.250000 0.497575 0.000000 Cl\n0.911302 0.151237 0.786349 Cl\n0.088698 0.848763 0.213651 Cl\n0.588698 0.651237 0.286349 Cl\n0.411302 0.848763 0.786349 Cl\n0.911302 0.651237 0.713651 Cl\n0.411302 0.348763 0.713651 Cl\n0.588698 0.151237 0.213651 Cl\n0.088698 0.348763 0.286349 Cl\n0.750000 0.502425 0.000000 Cl\n0.750000 0.002425 0.500000 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"N",
"Cl"
],
"chemical_system": "Cl-N-Nd",
"density": 4.707417193238054,
"density_atomic": 0.041602665669345576,
"volume": 576.8861108744796,
"volume_molar": 14.475372342396179,
"formula_full": "Nd8 N4 Cl12",
"formula_reduced": "Nd2NCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2405480754166662,
"spacegroup": 60
},
{
"id": "jvasp-3396",
"created_at": "2022-09-04T14:35:49.299480Z",
"updated_at": "2022-09-04T14:35:49.299510Z",
"structure_string": "K3 Cr1 O4\n1.0\n5.201286 0.580670 -2.421789\n-3.256953 4.676982 -0.879613\n0.404367 -0.580670 5.723192\nK Cr O\n3 1 4\ndirect\n0.500001 0.750000 0.250000 K\n0.500001 0.250000 0.750000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.690230 0.984184 0.984185 O\n0.000000 0.015815 0.706044 O\n0.000000 0.706044 0.015816 O\n0.309772 0.293956 0.293956 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cr",
"O"
],
"chemical_system": "Cr-K-O",
"density": 2.6319617529757813,
"density_atomic": 0.05435342886650763,
"volume": 147.18482654788994,
"volume_molar": 11.079596790094726,
"formula_full": "K3 Cr1 O4",
"formula_reduced": "K3CrO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.445091925,
"spacegroup": 121
},
{
"id": "jvasp-86810",
"created_at": "2022-09-04T14:35:49.300074Z",
"updated_at": "2022-09-04T14:35:49.300106Z",
"structure_string": "Rb6 Bi2\n1.0\n6.432406 -0.000000 -0.000000\n-3.216203 5.570628 -0.000000\n-0.000000 -0.000000 11.370204\nRb Bi\n6 2\ndirect\n0.333334 0.666667 0.917981 Rb\n0.666668 0.333333 0.417981 Rb\n0.000000 0.000000 0.250000 Rb\n0.666668 0.333333 0.082019 Rb\n0.000000 0.000000 0.750000 Rb\n0.333334 0.666667 0.582019 Rb\n0.666668 0.333333 0.750000 Bi\n0.333334 0.666667 0.250000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Bi"
],
"chemical_system": "Bi-Rb",
"density": 3.793538462705742,
"density_atomic": 0.019635597636860427,
"volume": 407.42330067826424,
"volume_molar": 30.66950581985388,
"formula_full": "Rb6 Bi2",
"formula_reduced": "Rb3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0003374999999999,
"spacegroup": 194
}
]
}