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=nelements&page=3571",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3569",
"results": [
{
"id": "jvasp-106398",
"created_at": "2022-09-04T14:36:51.294825Z",
"updated_at": "2022-09-04T14:36:51.294852Z",
"structure_string": "Th1 In1 Rh2\n1.0\n4.198827 -0.000000 2.424194\n1.399609 3.958692 2.424194\n-0.000000 -0.000000 4.848388\nTh In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500001 0.500000 0.499999 In\n0.250000 0.250000 0.250000 Rh\n0.750001 0.750000 0.749999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"In",
"Rh"
],
"chemical_system": "In-Rh-Th",
"density": 11.387689465663568,
"density_atomic": 0.04963441744987977,
"volume": 80.58924040035629,
"volume_molar": 12.132993735810608,
"formula_full": "Th1 In1 Rh2",
"formula_reduced": "ThInRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9852453925,
"spacegroup": 225
},
{
"id": "jvasp-104733",
"created_at": "2022-09-04T14:36:51.300051Z",
"updated_at": "2022-09-04T14:36:51.300065Z",
"structure_string": "In2 Ga2 Se4\n1.0\n6.451050 -0.029217 -1.487519\n-4.089047 4.989649 -1.487519\n0.013912 0.029217 6.620315\nIn Ga Se\n2 2 4\ndirect\n0.573145 0.573145 -0.000000 In\n0.073145 0.073145 -0.000000 In\n0.258351 0.758352 0.499999 Ga\n0.758351 0.258352 0.499999 Ga\n0.170995 0.346508 0.500000 Se\n0.846507 0.670995 0.499999 Se\n0.346507 0.846508 0.175512 Se\n0.670995 0.170996 0.824487 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Ga",
"Se"
],
"chemical_system": "Ga-In-Se",
"density": 5.342912667777414,
"density_atomic": 0.03758182352426929,
"volume": 212.86886185375823,
"volume_molar": 16.02407811880408,
"formula_full": "In2 Ga2 Se4",
"formula_reduced": "InGaSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3255697570833333,
"spacegroup": 108
},
{
"id": "jvasp-102340",
"created_at": "2022-09-04T14:36:51.302002Z",
"updated_at": "2022-09-04T14:36:51.302026Z",
"structure_string": "Hf1 W1 C2\n1.0\n3.041647 -0.001434 4.608378\n1.382646 2.709226 4.608378\n-0.002342 -0.001434 5.521663\nHf W C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500001 0.500002 0.499998 W\n0.753964 0.753966 0.753959 C\n0.246038 0.246038 0.246036 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"W",
"C"
],
"chemical_system": "C-Hf-W",
"density": 14.08379027250721,
"density_atomic": 0.08781080382746616,
"volume": 45.55248130810127,
"volume_molar": 6.85808636011637,
"formula_full": "Hf1 W1 C2",
"formula_reduced": "HfWC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.252650749999999,
"spacegroup": 166
},
{
"id": "jvasp-104582",
"created_at": "2022-09-04T14:36:51.309351Z",
"updated_at": "2022-09-04T14:36:51.309373Z",
"structure_string": "Ho1 Np1 Ru2\n1.0\n4.125955 0.000000 2.382121\n1.375318 3.889988 2.382121\n0.000000 0.000000 4.764243\nHo Np Ru\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.249999 Ru\n0.750001 0.750000 0.749998 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Np",
"Ru"
],
"chemical_system": "Ho-Np-Ru",
"density": 13.118069945509458,
"density_atomic": 0.0523110380517843,
"volume": 76.46569727865612,
"volume_molar": 11.512179808090405,
"formula_full": "Ho1 Np1 Ru2",
"formula_reduced": "HoNpRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.286919141666667,
"spacegroup": 225
},
{
"id": "jvasp-80089",
"created_at": "2022-09-04T14:36:51.319221Z",
"updated_at": "2022-09-04T14:36:51.319245Z",
"structure_string": "Sm2 Ir1 Ru1\n1.0\n0.000000 3.477192 3.477192\n3.477192 0.000000 3.477192\n3.477192 3.477192 -0.000000\nSm Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.499999 0.499999 0.499999 Sm\n0.250001 0.250001 0.250001 Ir\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Sm",
"density": 11.730719476831554,
"density_atomic": 0.04757118615098222,
"volume": 84.08451257247893,
"volume_molar": 12.659219261186445,
"formula_full": "Sm2 Ir1 Ru1",
"formula_reduced": "Sm2IrRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9135773375,
"spacegroup": 225
},
{
"id": "jvasp-9692",
"created_at": "2022-09-04T14:36:51.326704Z",
"updated_at": "2022-09-04T14:36:51.326719Z",
"structure_string": "Ti2 Al4 O10\n1.0\n3.616516 0.000000 0.000000\n-1.808258 4.721353 -0.000000\n0.000000 0.000000 9.742954\nTi Al O\n2 4 10\ndirect\n0.184041 0.368082 0.750000 Ti\n0.815959 0.631918 0.250000 Ti\n0.140418 0.280835 0.443405 Al\n0.859582 0.719165 0.556595 Al\n0.140418 0.280835 0.056595 Al\n0.859582 0.719165 0.943405 Al\n0.312366 0.624733 0.566517 O\n0.687634 0.375266 0.433482 O\n0.687634 0.375266 0.066517 O\n0.312366 0.624733 0.933482 O\n0.044638 0.089275 0.617004 O\n0.955363 0.910724 0.382996 O\n0.764701 0.529402 0.750000 O\n0.235299 0.470598 0.250000 O\n0.044638 0.089275 0.882996 O\n0.955363 0.910724 0.117004 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Al",
"O"
],
"chemical_system": "Al-O-Ti",
"density": 3.6298621765151617,
"density_atomic": 0.09617727485058405,
"volume": 166.35946511124126,
"volume_molar": 6.261500722863775,
"formula_full": "Ti2 Al4 O10",
"formula_reduced": "TiAl2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.395412679166667,
"spacegroup": 63
},
{
"id": "jvasp-102465",
"created_at": "2022-09-04T14:36:51.471353Z",
"updated_at": "2022-09-04T14:36:51.471385Z",
"structure_string": "Ca1 Ce1 Zn2\n1.0\n4.456509 0.000000 2.572967\n1.485503 4.201637 2.572967\n0.000000 -0.000000 5.145933\nCa Ce Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750001 0.750001 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"Zn"
],
"chemical_system": "Ca-Ce-Zn",
"density": 5.359802652775359,
"density_atomic": 0.041512849706106546,
"volume": 96.35570740911095,
"volume_molar": 14.506690826176028,
"formula_full": "Ca1 Ce1 Zn2",
"formula_reduced": "CaCeZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-50060",
"created_at": "2022-09-04T14:36:51.407121Z",
"updated_at": "2022-09-04T14:36:51.407153Z",
"structure_string": "Dy1 Tl1 O2\n1.0\n-3.495036 0.000000 0.000000\n-1.747518 3.026790 0.000000\n0.000000 2.017861 -6.448041\nDy Tl O\n1 1 2\ndirect\n0.500001 -0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Tl\n0.775550 0.448903 0.326647 O\n0.224452 0.551097 0.673353 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Tl",
"O"
],
"chemical_system": "Dy-O-Tl",
"density": 9.710283525913754,
"density_atomic": 0.05864057999370745,
"volume": 68.2121493414497,
"volume_molar": 10.269579121908784,
"formula_full": "Dy1 Tl1 O2",
"formula_reduced": "DyTlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7511615250000001,
"spacegroup": 166
},
{
"id": "jvasp-10133",
"created_at": "2022-09-04T14:36:51.412821Z",
"updated_at": "2022-09-04T14:36:51.412848Z",
"structure_string": "Rb4 Cu4 O4\n1.0\n5.344051 -0.000000 2.301904\n2.672025 6.736992 1.150953\n0.006855 -0.000000 7.338353\nRb Cu O\n4 4 4\ndirect\n0.500000 0.304770 0.695229 Rb\n0.804770 0.695229 0.695229 Rb\n0.500000 0.695229 0.304770 Rb\n0.195230 0.304770 0.304770 Rb\n0.137320 0.725361 -0.000001 Cu\n0.862681 0.274639 -0.000001 Cu\n0.137319 0.000000 0.725361 Cu\n0.862680 0.000000 0.274639 Cu\n0.726396 0.273604 0.273603 O\n-0.000000 0.273604 0.726396 O\n0.000001 0.726396 0.273603 O\n0.273604 0.726396 0.726395 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"O"
],
"chemical_system": "Cu-O-Rb",
"density": 4.15018381741959,
"density_atomic": 0.04543816701393334,
"volume": 264.0951602717661,
"volume_molar": 13.253485243261126,
"formula_full": "Rb4 Cu4 O4",
"formula_reduced": "RbCuO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-49673",
"created_at": "2022-09-04T14:36:51.421425Z",
"updated_at": "2022-09-04T14:36:51.421443Z",
"structure_string": "Mg4 Sb4 O12\n1.0\n0.000000 5.448752 0.037065\n5.566420 0.000000 0.000000\n0.000000 -5.436094 -8.014012\nMg Sb O\n4 4 12\ndirect\n0.206611 0.026399 0.220219 Mg\n0.206611 0.473601 0.720219 Mg\n0.793390 0.526399 0.279782 Mg\n0.793390 0.973601 0.779782 Mg\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.788261 0.150746 0.963196 O\n0.458443 0.297890 0.108420 O\n0.541558 0.702110 0.891580 O\n0.211739 0.849254 0.036804 O\n0.458443 0.202110 0.608420 O\n0.858153 0.875038 0.223038 O\n0.141848 0.375038 0.276963 O\n0.141848 0.124962 0.776963 O\n0.211740 0.650746 0.536804 O\n0.858153 0.624962 0.723038 O\n0.788261 0.349254 0.463196 O\n0.541557 0.797890 0.391580 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.327676784368073,
"density_atomic": 0.08266384232130629,
"volume": 241.94374999243263,
"volume_molar": 7.285096592283391,
"formula_full": "Mg4 Sb4 O12",
"formula_reduced": "MgSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.30113313,
"spacegroup": 14
},
{
"id": "jvasp-100248",
"created_at": "2022-09-04T14:36:51.459860Z",
"updated_at": "2022-09-04T14:36:51.459889Z",
"structure_string": "Tm2 Ga1 Ru1\n1.0\n4.192711 -0.000000 2.420663\n1.397571 3.952926 2.420663\n-0.000000 -0.000000 4.841326\nTm Ga Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.749999 0.750001 0.750000 Tm\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru-Tm",
"density": 10.526886899889027,
"density_atomic": 0.049851938602018996,
"volume": 80.23760182995171,
"volume_molar": 12.080053311620068,
"formula_full": "Tm2 Ga1 Ru1",
"formula_reduced": "Tm2GaRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.55482283125,
"spacegroup": 225
},
{
"id": "jvasp-15216",
"created_at": "2022-09-04T14:36:51.466573Z",
"updated_at": "2022-09-04T14:36:51.466593Z",
"structure_string": "Nd1 Fe2 Si2\n1.0\n3.779186 0.000000 -1.398730\n-0.517689 3.743560 -1.398730\n-0.054437 -0.062483 5.657719\nNd Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.640498 0.640498 0.280997 Si\n0.359502 0.359503 0.719004 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Si"
],
"chemical_system": "Fe-Nd-Si",
"density": 6.528623211007706,
"density_atomic": 0.06298607824865261,
"volume": 79.3826213510437,
"volume_molar": 9.56106639347533,
"formula_full": "Nd1 Fe2 Si2",
"formula_reduced": "Nd(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.0213879399999994,
"spacegroup": 139
}
]
}