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=-formula_full&page=4434",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4432",
"results": [
{
"id": "jvasp-22547",
"created_at": "2022-09-04T14:37:29.700898Z",
"updated_at": "2022-09-04T14:37:29.700909Z",
"structure_string": "Ba1 Ga2 Te4\n1.0\n6.781679 0.019675 0.019675\n3.372586 6.057560 0.009823\n3.372586 0.009823 6.057560\nBa Ga Te\n1 2 4\ndirect\n0.750001 -0.000008 0.000007 Ba\n0.250001 0.500028 0.499971 Ga\n0.750002 0.500017 0.499982 Ga\n0.170928 0.499956 0.158071 Te\n0.329075 0.841928 0.500043 Te\n0.670864 0.158116 0.500041 Te\n0.829140 0.499957 0.841883 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Te"
],
"chemical_system": "Ba-Ga-Te",
"density": 5.269758841157385,
"density_atomic": 0.028220811265846125,
"volume": 248.04389689787763,
"volume_molar": 21.33936088254209,
"formula_full": "Ba1 Ga2 Te4",
"formula_reduced": "Ba(GaTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3444493749999997,
"spacegroup": 97
},
{
"id": "jvasp-101232",
"created_at": "2022-09-04T14:36:40.996260Z",
"updated_at": "2022-09-04T14:36:40.996281Z",
"structure_string": "Ba1 Ga2 Si1 Se6\n1.0\n6.295310 0.016008 -1.476750\n-1.207717 6.380232 -1.076440\n-0.063072 0.047662 6.703247\nBa Ga Si Se\n1 2 1 6\ndirect\n0.994087 0.979870 0.964795 Ba\n0.529897 0.376300 0.798071 Ga\n0.794504 0.516848 0.388631 Ga\n0.375865 0.808146 0.529281 Si\n0.696980 0.864996 0.438729 Se\n0.432683 0.725784 0.857537 Se\n0.883104 0.432290 0.734533 Se\n0.121886 0.580135 0.258881 Se\n0.235210 0.113075 0.546445 Se\n0.568095 0.234964 0.115409 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Si",
"Se"
],
"chemical_system": "Ba-Ga-Se-Si",
"density": 4.8031338423948196,
"density_atomic": 0.03714932036423123,
"volume": 269.18392858751673,
"volume_molar": 16.210635082838138,
"formula_full": "Ba1 Ga2 Si1 Se6",
"formula_reduced": "BaGa2SiSe6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.1476809419999998,
"spacegroup": 1
},
{
"id": "jvasp-106846",
"created_at": "2022-09-04T14:36:45.906602Z",
"updated_at": "2022-09-04T14:36:45.906622Z",
"structure_string": "Ba1 Ga2 Si1 S6\n1.0\n5.993393 0.022882 -1.400718\n-1.176347 6.048658 -1.052870\n-0.049526 0.041928 6.385950\nBa Ga Si S\n1 2 1 6\ndirect\n0.469521 0.457671 0.443441 Ba\n0.998026 0.845686 0.265994 Ga\n0.263455 0.984416 0.858410 Ga\n0.844882 0.274512 0.995552 Si\n0.036739 0.711036 0.581899 S\n0.591320 0.049761 0.734940 S\n0.711954 0.575882 0.017470 S\n0.896590 0.190434 0.313701 S\n0.345240 0.899780 0.198530 S\n0.158311 0.326867 0.906104 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Si",
"S"
],
"chemical_system": "Ba-Ga-S-Si",
"density": 3.565347269243741,
"density_atomic": 0.04317966393279689,
"volume": 231.59050092570433,
"volume_molar": 13.946705952535018,
"formula_full": "Ba1 Ga2 Si1 S6",
"formula_reduced": "BaGa2SiS6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.4877709220000002,
"spacegroup": 1
},
{
"id": "jvasp-102630",
"created_at": "2022-09-04T14:36:55.307058Z",
"updated_at": "2022-09-04T14:36:55.307069Z",
"structure_string": "Ba1 Ga2 H2\n1.0\n4.549723 0.000000 0.000000\n-2.274862 3.940176 0.000000\n-0.000000 -0.000000 4.963279\nBa Ga H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666667 0.471594 Ga\n0.666667 0.333334 0.528406 Ga\n0.333334 0.666667 0.128160 H\n0.666667 0.333334 0.871840 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"H"
],
"chemical_system": "Ba-Ga-H",
"density": 5.203017397575422,
"density_atomic": 0.056195396236313644,
"volume": 88.97526016141842,
"volume_molar": 10.716430816993642,
"formula_full": "Ba1 Ga2 H2",
"formula_reduced": "Ba(GaH)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7533821240000003,
"spacegroup": 164
},
{
"id": "jvasp-100037",
"created_at": "2022-09-04T14:36:37.602505Z",
"updated_at": "2022-09-04T14:36:37.602532Z",
"structure_string": "Ba1 Ga2 Ge1 Se6\n1.0\n6.409620 0.025931 -1.281312\n-1.316743 6.368900 -1.131126\n-0.059890 0.048914 6.656464\nBa Ga Ge Se\n1 2 1 6\ndirect\n0.004059 0.000025 0.987267 Ba\n0.814563 0.534461 0.403204 Ga\n0.547233 0.396113 0.820862 Ga\n0.396399 0.823409 0.544083 Ge\n0.253643 0.137992 0.573423 Se\n0.134627 0.591098 0.261447 Se\n0.582844 0.254134 0.136296 Se\n0.733705 0.885542 0.455243 Se\n0.895461 0.451182 0.747611 Se\n0.453097 0.741670 0.886189 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"Se"
],
"chemical_system": "Ba-Ga-Ge-Se",
"density": 5.027086789259552,
"density_atomic": 0.03677698888097576,
"volume": 271.9091558138101,
"volume_molar": 16.37475210243537,
"formula_full": "Ba1 Ga2 Ge1 Se6",
"formula_reduced": "BaGa2GeSe6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.8758356769999999,
"spacegroup": 1
},
{
"id": "jvasp-100665",
"created_at": "2022-09-04T14:36:40.473153Z",
"updated_at": "2022-09-04T14:36:40.473168Z",
"structure_string": "Ba1 Ga2 Ge1 S6\n1.0\n6.115308 0.016487 -1.238458\n-1.280620 6.053418 -1.092226\n-0.036179 0.046505 6.356507\nBa Ga Ge S\n1 2 1 6\ndirect\n0.051631 0.053466 0.066524 Ba\n0.515648 0.665939 0.242529 Ga\n0.248923 0.530134 0.658420 Ga\n0.665579 0.241168 0.520516 Ge\n0.928620 0.471385 0.793819 S\n0.801341 0.929153 0.488526 S\n0.480160 0.802133 0.928882 S\n0.335127 0.183832 0.609309 S\n0.613971 0.325554 0.187044 S\n0.173840 0.612084 0.319270 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"S"
],
"chemical_system": "Ba-Ga-Ge-S",
"density": 3.8194029892605443,
"density_atomic": 0.04245266716581565,
"volume": 235.55646011453302,
"volume_molar": 14.185541597370436,
"formula_full": "Ba1 Ga2 Ge1 S6",
"formula_reduced": "BaGa2GeS6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.220472657,
"spacegroup": 1
},
{
"id": "jvasp-65761",
"created_at": "2022-09-04T14:36:15.312619Z",
"updated_at": "2022-09-04T14:36:15.312639Z",
"structure_string": "Ba1 Ga2 Co1\n1.0\n4.263745 -0.000000 -0.000000\n0.000000 4.263745 0.000000\n0.000000 0.000000 5.114276\nBa Ga Co\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ba\n0.000000 0.500001 0.000000 Ga\n0.500001 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Co"
],
"chemical_system": "Ba-Co-Ga",
"density": 5.99572693077989,
"density_atomic": 0.04302227612827594,
"volume": 92.97509011549117,
"volume_molar": 13.997726996229312,
"formula_full": "Ba1 Ga2 Co1",
"formula_reduced": "BaGa2Co",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6214078800000002,
"spacegroup": 123
},
{
"id": "jvasp-65640",
"created_at": "2022-09-04T14:36:01.734489Z",
"updated_at": "2022-09-04T14:36:01.734523Z",
"structure_string": "Ba1 Ga2 Cl1\n1.0\n-2.121640 2.121640 6.595719\n2.121640 -2.121640 6.595719\n2.121640 2.121640 -6.595719\nBa Ga Cl\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.750000 0.250000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Cl"
],
"chemical_system": "Ba-Cl-Ga",
"density": 4.365687417009608,
"density_atomic": 0.0336817358560507,
"volume": 118.75872482033692,
"volume_molar": 17.879543933654368,
"formula_full": "Ba1 Ga2 Cl1",
"formula_reduced": "BaGa2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-65583",
"created_at": "2022-09-04T14:36:20.612654Z",
"updated_at": "2022-09-04T14:36:20.612679Z",
"structure_string": "Ba1 Ga2 Cl1\n1.0\n4.232949 0.000000 0.000000\n-0.000000 4.232949 0.000000\n-0.000000 0.000000 6.671060\nBa Ga Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Cl"
],
"chemical_system": "Ba-Cl-Ga",
"density": 4.337477590232998,
"density_atomic": 0.03346409408666228,
"volume": 119.53110069679946,
"volume_molar": 17.99582783984651,
"formula_full": "Ba1 Ga2 Cl1",
"formula_reduced": "BaGa2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0011499999999999,
"spacegroup": 123
},
{
"id": "jvasp-65773",
"created_at": "2022-09-04T14:36:06.783416Z",
"updated_at": "2022-09-04T14:36:06.783430Z",
"structure_string": "Ba1 Ga2 Br1\n1.0\n4.234083 0.000000 -0.000000\n-0.000000 4.234083 0.000000\n-0.000000 -0.000000 6.818378\nBa Ga Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.686117 Ga\n0.000000 0.000000 0.313883 Ga\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Br"
],
"chemical_system": "Ba-Br-Ga",
"density": 4.845341528496177,
"density_atomic": 0.032723532748073214,
"volume": 122.23619102480684,
"volume_molar": 18.40308870794089,
"formula_full": "Ba1 Ga2 Br1",
"formula_reduced": "BaGa2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-19628",
"created_at": "2022-09-04T14:37:54.746704Z",
"updated_at": "2022-09-04T14:37:54.746725Z",
"structure_string": "Ba1 Ga2\n1.0\n2.221800 -3.848271 -0.000000\n2.221800 3.848271 -0.000000\n-0.000000 0.000000 5.092719\nBa Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Ga"
],
"chemical_system": "Ba-Ga",
"density": 5.277430208710672,
"density_atomic": 0.03444854907694914,
"volume": 87.08639639070941,
"volume_molar": 17.481551244866935,
"formula_full": "Ba1 Ga2",
"formula_reduced": "BaGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-65725",
"created_at": "2022-09-04T14:36:19.294460Z",
"updated_at": "2022-09-04T14:36:19.294484Z",
"structure_string": "Ba1 Ga1 W2\n1.0\n-2.085945 2.085945 5.024358\n2.085945 -2.085945 5.024358\n2.085945 2.085945 -5.024358\nBa Ga W\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Ba\n0.749999 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"W"
],
"chemical_system": "Ba-Ga-W",
"density": 10.91356628009262,
"density_atomic": 0.04574184911525051,
"volume": 87.44727371912003,
"volume_molar": 13.16549478536974,
"formula_full": "Ba1 Ga1 W2",
"formula_reduced": "BaGaW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.19800207375,
"spacegroup": 139
}
]
}