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=id&page=30",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=28",
"results": [
{
"id": "jvasp-100383",
"created_at": "2022-09-04T14:36:38.455539Z",
"updated_at": "2022-09-04T14:36:38.455563Z",
"structure_string": "In1 Ga1 Cu1 Ag1 Se4\n1.0\n5.389000 -0.007490 -4.642840\n-1.137192 5.267653 -4.642840\n0.006054 0.007490 7.113173\nIn Ga Cu Ag Se\n1 1 1 1 4\ndirect\n0.500000 0.500000 -0.000000 In\n0.750000 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.499999 Ag\n0.654332 0.626654 0.529964 Se\n0.096689 0.124367 0.470034 Se\n0.875632 0.345667 0.972321 Se\n0.373346 0.903311 0.027678 Se\n",
"nsites": 8,
"nelements": 5,
"elements": [
"In",
"Ga",
"Cu",
"Ag",
"Se"
],
"chemical_system": "Ag-Cu-Ga-In-Se",
"density": 5.515959913567513,
"density_atomic": 0.0395571591312357,
"volume": 202.23899227593733,
"volume_molar": 15.223895983078092,
"formula_full": "In1 Ga1 Cu1 Ag1 Se4",
"formula_reduced": "InGaCuAgSe4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 0.5203579339583333,
"spacegroup": 82
},
{
"id": "jvasp-100384",
"created_at": "2022-09-04T14:36:38.363789Z",
"updated_at": "2022-09-04T14:36:38.363809Z",
"structure_string": "Ho1 Cu1 Ge1\n1.0\n4.190400 0.000000 0.000000\n-2.095200 3.628992 -0.000000\n0.000000 0.000000 3.721245\nHo Cu Ge\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.500001 Cu\n0.666667 0.333333 0.500001 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ho",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Ho",
"density": 8.835957852757613,
"density_atomic": 0.053014112908714904,
"volume": 56.58870507115163,
"volume_molar": 11.359504912153364,
"formula_full": "Ho1 Cu1 Ge1",
"formula_reduced": "HoCuGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3086439888888889,
"spacegroup": 187
},
{
"id": "jvasp-100385",
"created_at": "2022-09-04T14:36:39.146710Z",
"updated_at": "2022-09-04T14:36:39.146727Z",
"structure_string": "Hf2 Al1 Si1\n1.0\n5.391587 -0.005795 0.000000\n-4.067093 3.539491 0.000000\n0.000000 0.000000 3.829980\nHf Al Si\n2 1 1\ndirect\n0.852641 0.147357 0.500000 Hf\n0.147947 0.852053 0.000000 Hf\n0.578774 0.421225 0.500000 Al\n0.420638 0.579361 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Si"
],
"chemical_system": "Al-Hf-Si",
"density": 9.373000930086421,
"density_atomic": 0.05479523032698501,
"volume": 72.9990544091229,
"volume_molar": 10.99026452496592,
"formula_full": "Hf2 Al1 Si1",
"formula_reduced": "Hf2AlSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.79416435,
"spacegroup": 38
},
{
"id": "jvasp-100387",
"created_at": "2022-09-04T14:38:40.016707Z",
"updated_at": "2022-09-04T14:38:40.016724Z",
"structure_string": "K1 Si4 Pd4\n1.0\n6.365928 0.014016 -0.833704\n-4.901492 4.062094 -0.833704\n-0.005036 -0.014016 6.420287\nK Si Pd\n1 4 4\ndirect\n0.480237 0.480237 0.000001 K\n0.369293 0.870762 0.273841 Si\n0.596923 0.095453 0.726161 Si\n0.095452 0.369292 0.498531 Si\n0.870762 0.596923 0.501471 Si\n0.152927 0.667582 0.854348 Pd\n0.813237 0.298582 0.145654 Pd\n0.298581 0.152928 0.485347 Pd\n0.667583 0.813236 0.514655 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Si",
"Pd"
],
"chemical_system": "K-Pd-Si",
"density": 5.762156820622692,
"density_atomic": 0.054114311210813594,
"volume": 166.3145995693934,
"volume_molar": 11.12855476722136,
"formula_full": "K1 Si4 Pd4",
"formula_reduced": "K(SiPd)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.3493927999999995,
"spacegroup": 87
},
{
"id": "jvasp-100388",
"created_at": "2022-09-04T14:36:58.163684Z",
"updated_at": "2022-09-04T14:36:58.163694Z",
"structure_string": "In1 Ga1 Ag2 Se4\n1.0\n5.523892 0.000161 -4.653176\n-1.195025 5.393079 -4.653176\n-0.000129 -0.000161 7.222563\nIn Ga Ag Se\n1 1 2 4\ndirect\n0.499999 0.500000 -0.000001 In\n0.749999 0.250000 0.499999 Ga\n0.249999 0.750000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.104811 0.134475 0.501520 Se\n0.632954 0.603291 0.498478 Se\n0.396708 0.895189 0.029662 Se\n0.865524 0.367046 0.970335 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Ga",
"Ag",
"Se"
],
"chemical_system": "Ag-Ga-In-Se",
"density": 5.526802089401306,
"density_atomic": 0.037181814207043404,
"volume": 215.15894720609273,
"volume_molar": 16.196468323106238,
"formula_full": "In1 Ga1 Ag2 Se4",
"formula_reduced": "InGa(AgSe2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.5454600352083333,
"spacegroup": 82
},
{
"id": "jvasp-100389",
"created_at": "2022-09-04T14:36:39.937825Z",
"updated_at": "2022-09-04T14:36:39.937842Z",
"structure_string": "K4 Na1 Cl5\n1.0\n5.957714 0.005202 -9.863887\n-0.214864 4.233769 -10.715394\n-0.010639 -0.005202 11.523476\nK Na Cl\n4 1 5\ndirect\n0.598961 0.598961 0.000000 K\n0.194673 0.194673 0.000000 K\n0.805327 0.805327 0.000000 K\n0.401039 0.401039 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.297774 0.797774 0.500001 Cl\n0.910944 0.410945 0.500000 Cl\n0.500000 -0.000000 0.500000 Cl\n0.089056 0.589056 0.500001 Cl\n0.702226 0.202226 0.500000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.0429440420500007,
"density_atomic": 0.034495910954202645,
"volume": 289.88943104810795,
"volume_molar": 17.457549586080205,
"formula_full": "K4 Na1 Cl5",
"formula_reduced": "K4NaCl5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0022239999999999,
"spacegroup": 71
},
{
"id": "jvasp-10039",
"created_at": "2022-09-04T14:38:11.355408Z",
"updated_at": "2022-09-04T14:38:11.355434Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n6.802713 -0.023364 0.033924\n-3.211122 5.994765 -0.040823\n-3.282825 -2.087606 5.597668\nMg Sb O\n2 4 8\ndirect\n0.249800 0.124773 0.875016 Mg\n0.750193 0.875449 0.124760 Mg\n0.065986 0.587105 0.005007 Sb\n0.582236 0.995156 0.559979 Sb\n0.435112 0.439538 0.522970 Sb\n0.916721 0.478209 0.412114 Sb\n0.002627 0.246410 0.293125 O\n0.953148 0.707280 0.209092 O\n0.498442 0.790411 0.243844 O\n0.525388 0.254047 0.219450 O\n0.465881 0.271201 0.746128 O\n0.973755 0.194160 0.728005 O\n0.546397 0.756391 0.754072 O\n0.034311 0.779861 0.806436 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 4.829795712616381,
"density_atomic": 0.06135807730826723,
"volume": 228.16881842080923,
"volume_molar": 9.814748154092813,
"formula_full": "Mg2 Sb4 O8",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.722226464285714,
"spacegroup": 82
},
{
"id": "jvasp-100391",
"created_at": "2022-09-04T14:36:59.758016Z",
"updated_at": "2022-09-04T14:36:59.758041Z",
"structure_string": "Hf1 Ti1 Se4\n1.0\n3.662358 0.000000 0.000000\n0.000000 6.344740 0.002064\n0.000000 -0.006246 6.127543\nHf Ti Se\n1 1 4\ndirect\n0.500000 0.500000 -0.000000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.675465 0.743034 Se\n0.500000 0.157519 0.750201 Se\n0.500000 0.842481 0.249798 Se\n0.000000 0.324535 0.256965 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"Se"
],
"chemical_system": "Hf-Se-Ti",
"density": 6.32331870335587,
"density_atomic": 0.04213957139022459,
"volume": 142.3839826095588,
"volume_molar": 14.290939754069255,
"formula_full": "Hf1 Ti1 Se4",
"formula_reduced": "HfTiSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.540507466666667,
"spacegroup": 10
},
{
"id": "jvasp-100392",
"created_at": "2022-09-04T14:36:37.546527Z",
"updated_at": "2022-09-04T14:36:37.546555Z",
"structure_string": "Hf1 Ti1 Mo4\n1.0\n4.584552 0.000000 2.646892\n1.528184 4.322357 2.646892\n0.000000 0.000000 5.293785\nHf Ti Mo\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Ti\n0.625115 0.625116 0.124653 Mo\n0.625115 0.124653 0.625115 Mo\n0.124652 0.625116 0.625115 Mo\n0.625115 0.625116 0.625115 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"Mo"
],
"chemical_system": "Hf-Mo-Ti",
"density": 9.657804001299521,
"density_atomic": 0.05719623136062364,
"volume": 104.90201639632257,
"volume_molar": 10.528911812441374,
"formula_full": "Hf1 Ti1 Mo4",
"formula_reduced": "HfTiMo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 6.137947488888889,
"spacegroup": 216
},
{
"id": "jvasp-100393",
"created_at": "2022-09-04T14:36:37.756322Z",
"updated_at": "2022-09-04T14:36:37.756350Z",
"structure_string": "Hf1 Sc1\n1.0\n3.213944 0.000000 -0.000000\n-1.606973 2.783357 0.000000\n-0.000000 -0.000000 5.055248\nHf Sc\n1 1\ndirect\n0.666667 0.333333 0.500000 Hf\n0.333334 0.666668 0.000000 Sc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Sc"
],
"chemical_system": "Hf-Sc",
"density": 8.204872299743807,
"density_atomic": 0.044226269777499855,
"volume": 45.22199159146588,
"volume_molar": 13.616659940567196,
"formula_full": "Hf1 Sc1",
"formula_reduced": "HfSc",
"formula_anonymous": "AB",
"energy_above_hull": 2.694124125,
"spacegroup": 187
},
{
"id": "jvasp-100394",
"created_at": "2022-09-04T14:37:02.066450Z",
"updated_at": "2022-09-04T14:37:02.066474Z",
"structure_string": "Hf1 Al1 W4\n1.0\n4.604278 0.000000 2.658281\n1.534759 4.340955 2.658281\n0.000000 0.000000 5.316563\nHf Al W\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Al\n0.624403 0.624404 0.126790 W\n0.624403 0.126791 0.624403 W\n0.126790 0.624404 0.624402 W\n0.624403 0.624404 0.624402 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Al",
"W"
],
"chemical_system": "Al-Hf-W",
"density": 14.702228855002254,
"density_atomic": 0.05646423703837835,
"volume": 106.26195118729474,
"volume_molar": 10.665407124702302,
"formula_full": "Hf1 Al1 W4",
"formula_reduced": "HfAlW4",
"formula_anonymous": "ABC4",
"energy_above_hull": 7.178230966666668,
"spacegroup": 216
},
{
"id": "jvasp-100395",
"created_at": "2022-09-04T14:37:02.577761Z",
"updated_at": "2022-09-04T14:37:02.577788Z",
"structure_string": "Ge1 Te2 Pb1\n1.0\n4.473255 0.000000 -0.000000\n0.000000 4.473255 0.000000\n0.000000 0.000000 6.323325\nGe Te Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Te\n0.500001 0.500001 0.000000 Te\n0.500001 0.500001 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ge",
"Te",
"Pb"
],
"chemical_system": "Ge-Pb-Te",
"density": 7.02170424507096,
"density_atomic": 0.03161310657410279,
"volume": 126.52979834878896,
"volume_molar": 19.049506399770568,
"formula_full": "Ge1 Te2 Pb1",
"formula_reduced": "GeTe2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6692455758333334,
"spacegroup": 123
}
]
}