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=986",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=984",
"results": [
{
"id": "jvasp-93414",
"created_at": "2022-09-04T14:36:31.229129Z",
"updated_at": "2022-09-04T14:36:31.229157Z",
"structure_string": "Ce1 Th1 O4\n1.0\n3.918229 -0.000065 -0.000059\n3.918115 6.784751 -0.001594\n3.918105 4.522422 3.197952\nCe Th O\n1 1 4\ndirect\n0.000000 0.500000 0.000001 Ce\n0.000000 -0.000000 0.000000 Th\n0.254689 0.499999 0.245309 O\n0.245315 0.999997 0.254693 O\n0.745315 0.499999 0.754691 O\n0.754688 0.000001 0.745307 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Th",
"O"
],
"chemical_system": "Ce-O-Th",
"density": 8.516082489906386,
"density_atomic": 0.07055121261587388,
"volume": 85.04460486976821,
"volume_molar": 8.535843023405429,
"formula_full": "Ce1 Th1 O4",
"formula_reduced": "CeThO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1556741833333337,
"spacegroup": 123
},
{
"id": "jvasp-101465",
"created_at": "2022-09-04T14:36:36.603641Z",
"updated_at": "2022-09-04T14:36:36.603671Z",
"structure_string": "Ce1 Th1 S2\n1.0\n4.036389 0.000000 0.000000\n0.000000 4.036389 0.000000\n-0.000000 -0.000000 5.701500\nCe Th S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Th",
"S"
],
"chemical_system": "Ce-S-Th",
"density": 7.799078413599586,
"density_atomic": 0.0430610717441339,
"volume": 92.89132476236868,
"volume_molar": 13.985115827546444,
"formula_full": "Ce1 Th1 S2",
"formula_reduced": "CeThS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8154827750000004,
"spacegroup": 123
},
{
"id": "jvasp-52578",
"created_at": "2022-09-04T14:36:06.713266Z",
"updated_at": "2022-09-04T14:36:06.713298Z",
"structure_string": "Ce1 Th2 O6\n1.0\n3.939858 0.000676 -0.000448\n-0.001029 5.565656 -0.000159\n-1.968911 -2.782624 5.900567\nCe Th O\n1 2 6\ndirect\n0.670658 0.667104 0.333522 Ce\n0.336285 0.332737 0.664773 Th\n0.005035 0.001480 0.002275 Th\n0.835179 0.584131 0.662551 O\n0.170680 0.912088 0.333544 O\n0.835190 0.079222 0.662588 O\n0.506131 0.750071 0.004474 O\n0.170647 0.422140 0.333501 O\n0.506138 0.255001 0.004474 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Th",
"O"
],
"chemical_system": "Ce-O-Th",
"density": 8.986606544659843,
"density_atomic": 0.06956233533626477,
"volume": 129.38036016896132,
"volume_molar": 8.657186005744249,
"formula_full": "Ce1 Th2 O6",
"formula_reduced": "CeTh2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.630364188888889,
"spacegroup": 71
},
{
"id": "jvasp-111087",
"created_at": "2022-09-04T14:38:38.192135Z",
"updated_at": "2022-09-04T14:38:38.192160Z",
"structure_string": "Ce1 Th2 O6\n1.0\n3.940714 -0.000000 0.000000\n-1.970357 3.412759 0.000000\n-0.000000 -0.000000 9.626537\nCe Th O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.669999 Th\n0.666666 0.333333 0.330001 Th\n0.000000 0.000000 0.245230 O\n0.333333 0.666667 0.920474 O\n0.666666 0.333333 0.584639 O\n0.666666 0.333333 0.079526 O\n0.000000 0.000000 0.754770 O\n0.333333 0.666667 0.415362 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Th",
"O"
],
"chemical_system": "Ce-O-Th",
"density": 8.980767673336755,
"density_atomic": 0.06951713857339957,
"volume": 129.46447717345794,
"volume_molar": 8.66281449953745,
"formula_full": "Ce1 Th2 O6",
"formula_reduced": "CeTh2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.6269086333333336,
"spacegroup": 164
},
{
"id": "jvasp-106941",
"created_at": "2022-09-04T14:36:56.338697Z",
"updated_at": "2022-09-04T14:36:56.338716Z",
"structure_string": "Ce1 Th3\n1.0\n4.993348 -0.000000 0.000000\n0.000000 4.993348 0.000000\n-0.000000 -0.000000 4.993348\nCe Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 -0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Th"
],
"chemical_system": "Ce-Th",
"density": 11.153198510352329,
"density_atomic": 0.03212805898814856,
"volume": 124.50176344221497,
"volume_molar": 18.74417860793102,
"formula_full": "Ce1 Th3",
"formula_reduced": "CeTh3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.049455575,
"spacegroup": 221
},
{
"id": "jvasp-50834",
"created_at": "2022-09-04T14:36:50.075513Z",
"updated_at": "2022-09-04T14:36:50.075531Z",
"structure_string": "Ce1 Th3 O8\n1.0\n0.000000 2.791679 2.791679\n-5.580355 2.789473 -2.789473\n-5.580355 -2.789473 2.789473\nCe Th O\n1 3 8\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000001 Th\n0.500000 0.000001 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.500000 0.874688 0.874688 O\n0.000000 0.376946 0.870902 O\n0.500000 0.622374 0.622374 O\n0.000000 0.870902 0.376946 O\n0.000000 0.129099 0.623054 O\n0.500000 0.377626 0.377626 O\n0.000000 0.623054 0.129099 O\n0.500000 0.125312 0.125312 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Th",
"O"
],
"chemical_system": "Ce-O-Th",
"density": 9.211242058304698,
"density_atomic": 0.06903539037984595,
"volume": 173.82388850086457,
"volume_molar": 8.723266033356264,
"formula_full": "Ce1 Th3 O8",
"formula_reduced": "CeTh3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.8749333583333336,
"spacegroup": 65
},
{
"id": "jvasp-119203",
"created_at": "2022-09-04T14:38:36.482040Z",
"updated_at": "2022-09-04T14:38:36.482052Z",
"structure_string": "Ce1 Th3 O8\n1.0\n3.903827 0.000131 12.470056\n1.906407 3.406681 12.470056\n0.000224 0.000131 13.066834\nCe Th O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.251207 0.251206 0.251206 Th\n0.500001 0.499999 0.500000 Th\n0.748795 0.748793 0.748794 Th\n0.812141 0.812139 0.812140 O\n0.061065 0.061065 0.061065 O\n0.313571 0.313570 0.313571 O\n0.563310 0.563309 0.563309 O\n0.436691 0.436690 0.436691 O\n0.686430 0.686429 0.686430 O\n0.938936 0.938934 0.938935 O\n0.187860 0.187860 0.187860 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Th",
"O"
],
"chemical_system": "Ce-O-Th",
"density": 9.214575715009119,
"density_atomic": 0.0690603750985761,
"volume": 173.76100235296028,
"volume_molar": 8.720110123068483,
"formula_full": "Ce1 Th3 O8",
"formula_reduced": "CeTh3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.8722941916666667,
"spacegroup": 166
},
{
"id": "jvasp-49836",
"created_at": "2022-09-04T14:35:42.660683Z",
"updated_at": "2022-09-04T14:35:42.660700Z",
"structure_string": "Ce1 Ti1 O3\n1.0\n3.927957 -0.000000 0.000000\n-0.000000 3.927957 0.000000\n-0.000000 -0.000000 3.927957\nCe Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\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": [
"Ce",
"Ti",
"O"
],
"chemical_system": "Ce-O-Ti",
"density": 6.465860464862118,
"density_atomic": 0.08250301690849728,
"volume": 60.60384440905254,
"volume_molar": 7.299297632569069,
"formula_full": "Ce1 Ti1 O3",
"formula_reduced": "CeTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.148904866666667,
"spacegroup": 221
},
{
"id": "jvasp-90224",
"created_at": "2022-09-04T14:35:49.464285Z",
"updated_at": "2022-09-04T14:35:49.464325Z",
"structure_string": "Ce1 Ti2 O6\n1.0\n0.882398 -3.671879 -0.112328\n-4.255993 -2.996703 1.046208\n1.883101 0.654498 -6.652469\nCe Ti O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.177617 0.644867 0.387358 Ti\n0.822383 0.355132 0.612642 Ti\n0.023363 0.953133 0.307359 O\n0.976637 0.046866 0.692641 O\n0.348852 0.302425 0.098229 O\n0.651148 0.697574 0.901771 O\n0.722496 0.555086 0.401875 O\n0.277503 0.444913 0.598125 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Ti",
"O"
],
"chemical_system": "Ce-O-Ti",
"density": 4.859585109475342,
"density_atomic": 0.07936983802481064,
"volume": 113.39320104428893,
"volume_molar": 7.58744242128541,
"formula_full": "Ce1 Ti2 O6",
"formula_reduced": "CeTi2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.818130351851852,
"spacegroup": 12
},
{
"id": "jvasp-104894",
"created_at": "2022-09-04T14:37:11.985248Z",
"updated_at": "2022-09-04T14:37:11.985283Z",
"structure_string": "Ce1 Tl1\n1.0\n3.895287 -0.000000 0.000000\n0.000000 3.895287 0.000000\n-0.000000 0.000000 3.895287\nCe Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Tl"
],
"chemical_system": "Ce-Tl",
"density": 9.678745198511669,
"density_atomic": 0.033838539576570445,
"volume": 59.10420559003041,
"volume_molar": 17.7966922785571,
"formula_full": "Ce1 Tl1",
"formula_reduced": "CeTl",
"formula_anonymous": "AB",
"energy_above_hull": 0.3797740500000001,
"spacegroup": 221
},
{
"id": "jvasp-80071",
"created_at": "2022-09-04T14:36:46.957783Z",
"updated_at": "2022-09-04T14:36:46.957807Z",
"structure_string": "Ce1 Tl1 Ag2\n1.0\n0.000205 3.581983 3.581987\n3.582338 -0.000302 3.582495\n3.582339 3.582493 -0.000304\nCe Tl Ag\n1 1 2\ndirect\n0.250000 0.249999 0.250000 Ce\n0.749999 0.750001 0.750000 Tl\n0.499988 0.499990 0.499989 Ag\n0.000011 0.000010 0.000010 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Tl",
"Ag"
],
"chemical_system": "Ag-Ce-Tl",
"density": 10.117884645962278,
"density_atomic": 0.04350406484448183,
"volume": 91.94543117520594,
"volume_molar": 13.84270821939956,
"formula_full": "Ce1 Tl1 Ag2",
"formula_reduced": "CeTlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.204120655,
"spacegroup": 225
},
{
"id": "jvasp-40448",
"created_at": "2022-09-04T14:38:29.967394Z",
"updated_at": "2022-09-04T14:38:29.967415Z",
"structure_string": "Ce1 Tl1 Au2\n1.0\n-0.000017 3.592507 3.592520\n3.592441 0.000043 3.592460\n3.592474 3.592479 0.000009\nCe Tl Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750001 0.749999 0.749999 Tl\n0.000004 0.000001 0.999993 Au\n0.499997 0.499997 0.500006 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Tl",
"Au"
],
"chemical_system": "Au-Ce-Tl",
"density": 13.223573885872343,
"density_atomic": 0.04313690418811385,
"volume": 92.72802662324987,
"volume_molar": 13.960530718055956,
"formula_full": "Ce1 Tl1 Au2",
"formula_reduced": "CeTlAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.45832831,
"spacegroup": 225
}
]
}