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=structure_string&page=3475",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3473",
"results": [
{
"id": "jvasp-18840",
"created_at": "2022-09-04T14:35:46.778458Z",
"updated_at": "2022-09-04T14:35:46.778482Z",
"structure_string": "Sc4 In2\n1.0\n2.511784 -4.350536 -0.000000\n2.511784 4.350536 0.000000\n-0.000000 -0.000000 6.248157\nSc In\n4 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333332 0.666666 0.750000 Sc\n0.666666 0.333332 0.250000 Sc\n0.333332 0.666666 0.250000 In\n0.666666 0.333332 0.750000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"In"
],
"chemical_system": "In-Sc",
"density": 4.9791271916339666,
"density_atomic": 0.0439384026730645,
"volume": 136.554804794444,
"volume_molar": 13.705870932107745,
"formula_full": "Sc4 In2",
"formula_reduced": "Sc2In",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2649534899999997,
"spacegroup": 194
},
{
"id": "jvasp-4990",
"created_at": "2022-09-04T14:38:35.066927Z",
"updated_at": "2022-09-04T14:38:35.066951Z",
"structure_string": "Sc4 In2 C2\n1.0\n1.674074 -2.899580 0.000000\n1.674074 2.899580 0.000000\n0.000000 0.000000 15.262105\nSc In C\n4 2 2\ndirect\n0.333332 0.666666 0.080239 Sc\n0.333332 0.666666 0.419762 Sc\n0.666666 0.333332 0.580239 Sc\n0.666666 0.333332 0.919762 Sc\n0.333332 0.666666 0.750000 In\n0.666666 0.333332 0.250000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"In",
"C"
],
"chemical_system": "C-In-Sc",
"density": 4.858084141012965,
"density_atomic": 0.05399279468608101,
"volume": 148.16791845120676,
"volume_molar": 11.153600762867104,
"formula_full": "Sc4 In2 C2",
"formula_reduced": "Sc2InC",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5247001175,
"spacegroup": 194
},
{
"id": "jvasp-17622",
"created_at": "2022-09-04T14:37:33.471791Z",
"updated_at": "2022-09-04T14:37:33.471824Z",
"structure_string": "Sc4 In2 C2\n1.0\n1.674138 -2.899692 0.000000\n1.674138 2.899692 0.000000\n-0.000000 0.000000 15.262992\nSc In C\n4 2 2\ndirect\n0.333334 0.666668 0.080238 Sc\n0.333334 0.666668 0.419762 Sc\n0.666668 0.333334 0.580238 Sc\n0.666668 0.333334 0.919762 Sc\n0.333334 0.666668 0.750000 In\n0.666668 0.333334 0.250000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"In",
"C"
],
"chemical_system": "C-In-Sc",
"density": 4.857428484734568,
"density_atomic": 0.053985507715786425,
"volume": 148.18791817457785,
"volume_molar": 11.155106277233374,
"formula_full": "Sc4 In2 C2",
"formula_reduced": "Sc2InC",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5247001175,
"spacegroup": 194
},
{
"id": "jvasp-21888",
"created_at": "2022-09-04T14:37:34.990869Z",
"updated_at": "2022-09-04T14:37:34.990886Z",
"structure_string": "Sc4 In2 Ni4\n1.0\n7.169403 -0.000000 0.000000\n0.000000 7.169403 -0.000000\n0.000000 -0.000000 3.319860\nSc In Ni\n4 2 4\ndirect\n0.670012 0.170013 0.500000 Sc\n0.170013 0.329987 0.500000 Sc\n0.829987 0.670012 0.500000 Sc\n0.329987 0.829987 0.500000 Sc\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.876183 0.376184 0.000000 Ni\n0.376184 0.123816 0.000000 Ni\n0.623816 0.876183 0.000000 Ni\n0.123816 0.623816 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"In",
"Ni"
],
"chemical_system": "In-Ni-Sc",
"density": 6.269118451895334,
"density_atomic": 0.05860224365736833,
"volume": 170.64193068216517,
"volume_molar": 10.276297261261615,
"formula_full": "Sc4 In2 Ni4",
"formula_reduced": "Sc2InNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.330117054,
"spacegroup": 127
},
{
"id": "jvasp-9448",
"created_at": "2022-09-04T14:38:08.429978Z",
"updated_at": "2022-09-04T14:38:08.429996Z",
"structure_string": "Sc4 Mn2 S8\n1.0\n6.471755 0.000000 3.736470\n2.157251 6.101630 3.736470\n-0.000000 -0.000000 7.472940\nSc Mn S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.125000 0.125000 0.125000 Mn\n0.875000 0.875000 0.875000 Mn\n0.255763 0.732711 0.255763 S\n0.744238 0.744237 0.744237 S\n0.255763 0.255763 0.255763 S\n0.744238 0.744237 0.267289 S\n0.267289 0.744237 0.744237 S\n0.255763 0.255763 0.732711 S\n0.732711 0.255763 0.255763 S\n0.744238 0.267289 0.744237 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"S"
],
"chemical_system": "Mn-S-Sc",
"density": 3.073668703704072,
"density_atomic": 0.047442613334476524,
"volume": 295.09335628916983,
"volume_molar": 12.693526635101513,
"formula_full": "Sc4 Mn2 S8",
"formula_reduced": "Sc2MnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.536882534482759,
"spacegroup": 227
},
{
"id": "jvasp-22104",
"created_at": "2022-09-04T14:37:42.983296Z",
"updated_at": "2022-09-04T14:37:42.983313Z",
"structure_string": "Sc4 Mn2 Se8\n1.0\n6.636597 0.000000 3.831641\n2.212199 6.257044 3.831641\n-0.000000 0.000000 7.663283\nSc Mn Se\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 -0.000000 Sc\n0.125000 0.125000 0.125000 Mn\n0.875001 0.874999 0.874999 Mn\n0.250033 0.250033 0.250033 Se\n0.749968 0.749967 0.250098 Se\n0.250099 0.749967 0.749967 Se\n0.749968 0.250099 0.749966 Se\n0.749902 0.250033 0.250032 Se\n0.250033 0.749901 0.250033 Se\n0.250033 0.250033 0.749901 Se\n0.749968 0.749967 0.749966 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Se"
],
"chemical_system": "Mn-Sc-Se",
"density": 4.807931101384682,
"density_atomic": 0.043994513165316426,
"volume": 318.22150065379196,
"volume_molar": 13.688390498539766,
"formula_full": "Sc4 Mn2 Se8",
"formula_reduced": "Sc2MnSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.295997315435139,
"spacegroup": 227
},
{
"id": "jvasp-20365",
"created_at": "2022-09-04T14:37:33.040668Z",
"updated_at": "2022-09-04T14:37:33.040683Z",
"structure_string": "Sc4 Mn8\n1.0\n2.436045 -4.219355 -0.000000\n2.436045 4.219355 -0.000000\n-0.000000 -0.000000 8.022860\nSc Mn\n4 8\ndirect\n0.333334 0.666668 0.062885 Sc\n0.666668 0.333334 0.562885 Sc\n0.666668 0.333334 0.937115 Sc\n0.333334 0.666668 0.437115 Sc\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.828778 0.657555 0.250000 Mn\n0.171225 0.828777 0.750000 Mn\n0.657555 0.828778 0.750000 Mn\n0.342447 0.171224 0.250000 Mn\n0.828777 0.171225 0.250000 Mn\n0.171224 0.342447 0.750000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sc",
"Mn"
],
"chemical_system": "Mn-Sc",
"density": 6.235614170990751,
"density_atomic": 0.07275966038803935,
"volume": 164.9265532027226,
"volume_molar": 8.276757653736869,
"formula_full": "Sc4 Mn8",
"formula_reduced": "ScMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.217306577586207,
"spacegroup": 194
},
{
"id": "jvasp-119237",
"created_at": "2022-09-04T14:38:49.124795Z",
"updated_at": "2022-09-04T14:38:49.124818Z",
"structure_string": "Sc4 Mo4 N12\n1.0\n10.638726 -0.364520 -1.867364\n-3.936642 3.769415 -0.785844\n-0.072389 0.793536 6.427779\nSc Mo N\n4 4 12\ndirect\n0.635381 0.533566 0.388716 Sc\n0.364619 0.466433 0.611286 Sc\n0.805200 0.050303 0.889373 Sc\n0.194800 -0.050302 0.110629 Sc\n-0.022083 0.771584 0.662162 Mo\n0.022083 0.228415 0.337839 Mo\n0.575458 0.944231 0.194064 Mo\n0.424542 0.055768 0.805937 Mo\n0.241933 0.106686 0.811791 N\n0.758067 0.893314 0.188210 N\n0.435608 0.050951 0.129135 N\n0.564392 0.949049 0.870866 N\n0.083429 0.428718 0.119266 N\n0.094859 0.009004 0.360837 N\n0.238463 0.655455 0.584276 N\n0.761538 0.344544 0.415725 N\n0.558695 0.441208 0.693941 N\n0.905141 0.990995 0.639165 N\n0.916571 0.571281 0.880735 N\n0.441305 0.558792 0.306060 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Mo",
"N"
],
"chemical_system": "Mo-N-Sc",
"density": 4.664318170776762,
"density_atomic": 0.0767816340308972,
"volume": 260.4789576626089,
"volume_molar": 7.843204740311556,
"formula_full": "Sc4 Mo4 N12",
"formula_reduced": "ScMoN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.927466179999999,
"spacegroup": 2
},
{
"id": "jvasp-23528",
"created_at": "2022-09-04T14:37:33.093941Z",
"updated_at": "2022-09-04T14:37:33.093968Z",
"structure_string": "Sc4 Ni4 B16\n1.0\n3.272956 0.000000 0.000000\n0.000000 5.783416 -0.000000\n0.000000 0.000000 11.216229\nSc Ni B\n4 4 16\ndirect\n0.000000 0.126934 0.150545 Sc\n0.000000 0.873067 0.849455 Sc\n0.000000 0.626934 0.349455 Sc\n0.000000 0.373067 0.650545 Sc\n0.000000 0.135318 0.410937 Ni\n0.000000 0.864683 0.589063 Ni\n0.000000 0.635318 0.089063 Ni\n0.000000 0.364682 0.910937 Ni\n0.500001 0.633989 0.532134 B\n0.500001 0.366012 0.467867 B\n0.500001 0.210634 0.813571 B\n0.500001 0.789366 0.186429 B\n0.500001 0.710635 0.686429 B\n0.500001 0.289366 0.313571 B\n0.500001 0.383817 0.049183 B\n0.500001 0.478075 0.194001 B\n0.500001 0.883818 0.450817 B\n0.500001 0.116183 0.549183 B\n0.500001 0.866012 0.032134 B\n0.500001 0.521926 0.805999 B\n0.500001 0.978075 0.305999 B\n0.500001 0.021926 0.694001 B\n0.500001 0.616183 0.950817 B\n0.500001 0.133989 0.967867 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"B"
],
"chemical_system": "B-Ni-Sc",
"density": 4.595572744699494,
"density_atomic": 0.11304198499233453,
"volume": 212.31049686209474,
"volume_molar": 5.327348737204471,
"formula_full": "Sc4 Ni4 B16",
"formula_reduced": "ScNiB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.888224663888889,
"spacegroup": 55
},
{
"id": "jvasp-21455",
"created_at": "2022-09-04T14:37:33.178783Z",
"updated_at": "2022-09-04T14:37:33.178798Z",
"structure_string": "Sc4 Ni4 Ge4\n1.0\n4.093469 -0.000000 0.000000\n-0.000000 6.477667 0.000000\n0.000000 0.000000 7.081534\nSc Ni Ge\n4 4 4\ndirect\n0.750000 0.505288 0.291792 Sc\n0.250000 0.494712 0.708207 Sc\n0.750000 0.005288 0.208208 Sc\n0.250000 0.994713 0.791792 Sc\n0.750000 0.809451 0.579725 Ni\n0.250000 0.190549 0.420275 Ni\n0.750000 0.309451 0.920275 Ni\n0.250000 0.690550 0.079725 Ni\n0.750000 0.205782 0.592224 Ge\n0.250000 0.794218 0.407776 Ge\n0.750000 0.705782 0.907775 Ge\n0.250000 0.294218 0.092224 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Sc",
"density": 6.235877898575187,
"density_atomic": 0.06390631522863464,
"volume": 187.77486946428002,
"volume_molar": 9.423389125871003,
"formula_full": "Sc4 Ni4 Ge4",
"formula_reduced": "ScNiGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0358045333333332,
"spacegroup": 62
},
{
"id": "jvasp-21583",
"created_at": "2022-09-04T14:37:46.007559Z",
"updated_at": "2022-09-04T14:37:46.007579Z",
"structure_string": "Sc4 Ni4 P4\n1.0\n3.746857 -0.000000 0.000000\n0.000000 6.358632 0.000000\n0.000000 0.000000 7.102611\nSc Ni P\n4 4 4\ndirect\n0.750001 0.478270 0.814422 Sc\n0.250000 0.021730 0.314422 Sc\n0.750001 0.978270 0.685578 Sc\n0.250000 0.521730 0.185578 Sc\n0.250000 0.641484 0.561398 Ni\n0.250000 0.141485 0.938602 Ni\n0.750001 0.858515 0.061398 Ni\n0.750001 0.358515 0.438602 Ni\n0.250000 0.764474 0.881619 P\n0.250000 0.264475 0.618381 P\n0.750001 0.235525 0.118381 P\n0.750001 0.735525 0.381619 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"P"
],
"chemical_system": "Ni-P-Sc",
"density": 5.284206153870797,
"density_atomic": 0.07091406917613226,
"volume": 169.21888899359442,
"volume_molar": 8.49216640641867,
"formula_full": "Sc4 Ni4 P4",
"formula_reduced": "ScNiP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.54839105,
"spacegroup": 62
},
{
"id": "jvasp-20871",
"created_at": "2022-09-04T14:38:29.048625Z",
"updated_at": "2022-09-04T14:38:29.048659Z",
"structure_string": "Sc4 Ni4 Sn2\n1.0\n7.129369 0.000000 0.000000\n0.000000 7.129369 -0.000000\n-0.000000 -0.000000 3.349395\nSc Ni Sn\n4 4 2\ndirect\n0.669430 0.169430 0.500001 Sc\n0.169430 0.330570 0.500001 Sc\n0.830570 0.669430 0.500001 Sc\n0.330570 0.830570 0.500001 Sc\n0.876132 0.376132 0.000000 Ni\n0.376132 0.123868 0.000000 Ni\n0.623868 0.876132 0.000000 Ni\n0.123868 0.623868 0.000000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sc-Sn",
"density": 6.359743899693797,
"density_atomic": 0.05873966232062434,
"volume": 170.24272195192475,
"volume_molar": 10.252256349600327,
"formula_full": "Sc4 Ni4 Sn2",
"formula_reduced": "Sc2Ni2Sn",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5081794000000002,
"spacegroup": 127
}
]
}