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=-elements&page=1171",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1169",
"results": [
{
"id": "jvasp-35104",
"created_at": "2022-09-04T14:37:37.673287Z",
"updated_at": "2022-09-04T14:37:37.673308Z",
"structure_string": "Th2 Bi2 Te2\n1.0\n4.535511 0.000000 0.000000\n0.000000 4.535511 -0.000000\n0.000000 0.000000 9.257750\nTh Bi Te\n2 2 2\ndirect\n0.500000 0.000000 0.724166 Th\n0.000000 0.500000 0.275834 Th\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.367832 Te\n0.000000 0.500000 0.632168 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Bi",
"Te"
],
"chemical_system": "Bi-Te-Th",
"density": 9.916128591673584,
"density_atomic": 0.03150600608039822,
"volume": 190.4398794531104,
"volume_molar": 19.11426267306771,
"formula_full": "Th2 Bi2 Te2",
"formula_reduced": "ThBiTe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2211258888888892,
"spacegroup": 129
},
{
"id": "jvasp-41410",
"created_at": "2022-09-04T14:38:08.940969Z",
"updated_at": "2022-09-04T14:38:08.941002Z",
"structure_string": "Th2 Bi1 Te1\n1.0\n0.000000 3.907416 3.907416\n3.907416 -0.000000 3.907416\n3.907416 3.907416 -0.000000\nTh Bi Te\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.500001 0.500001 0.500001 Th\n0.250001 0.250001 0.250001 Bi\n0.750001 0.750001 0.750001 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Bi",
"Te"
],
"chemical_system": "Bi-Te-Th",
"density": 11.14285283734634,
"density_atomic": 0.033524402338048626,
"volume": 119.31607190682674,
"volume_molar": 17.963454498829805,
"formula_full": "Th2 Bi1 Te1",
"formula_reduced": "Th2BiTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9211033166666671,
"spacegroup": 225
},
{
"id": "jvasp-92357",
"created_at": "2022-09-04T14:35:54.290751Z",
"updated_at": "2022-09-04T14:35:54.290772Z",
"structure_string": "Th2 Bi1 N2\n1.0\n3.935264 0.000000 -1.127996\n-0.323326 3.921959 -1.127996\n0.046461 0.050448 7.590605\nTh Bi N\n2 1 2\ndirect\n0.331951 0.331952 0.663903 Th\n0.668047 0.668049 0.336097 Th\n0.000000 0.000000 0.000000 Bi\n0.749999 0.250000 0.500000 N\n0.249999 0.750000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Bi",
"N"
],
"chemical_system": "Bi-N-Th",
"density": 9.899197079789893,
"density_atomic": 0.0425166995084293,
"volume": 117.60084996740416,
"volume_molar": 14.164177439986984,
"formula_full": "Th2 Bi1 N2",
"formula_reduced": "Th2BiN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.4958344,
"spacegroup": 139
},
{
"id": "jvasp-107993",
"created_at": "2022-09-04T14:36:08.931164Z",
"updated_at": "2022-09-04T14:36:08.931175Z",
"structure_string": "Th1 Bi1 Au2\n1.0\n4.489074 -0.000000 2.591768\n1.496358 4.232340 2.591768\n-0.000000 -0.000000 5.183537\nTh Bi Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500001 Bi\n0.750000 0.750000 0.750001 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Th",
"density": 14.078191916798406,
"density_atomic": 0.04061593682873706,
"volume": 98.48350948709061,
"volume_molar": 14.827038916751377,
"formula_full": "Th1 Bi1 Au2",
"formula_reduced": "ThBiAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.12525376,
"spacegroup": 225
},
{
"id": "jvasp-15169",
"created_at": "2022-09-04T14:36:52.213801Z",
"updated_at": "2022-09-04T14:36:52.213836Z",
"structure_string": "Th1 B2 Ru3\n1.0\n2.780559 -4.816070 0.000000\n2.780559 4.816070 -0.000000\n0.000000 0.000000 3.084202\nTh B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"B",
"Ru"
],
"chemical_system": "B-Ru-Th",
"density": 11.194514179935952,
"density_atomic": 0.07263627010727144,
"volume": 82.60336043052621,
"volume_molar": 8.290817729360718,
"formula_full": "Th1 B2 Ru3",
"formula_reduced": "ThB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.694365377777778,
"spacegroup": 191
},
{
"id": "jvasp-104652",
"created_at": "2022-09-04T14:36:58.070514Z",
"updated_at": "2022-09-04T14:36:58.070524Z",
"structure_string": "Th1 B1 Rh3\n1.0\n4.277093 0.000000 0.000000\n0.000000 4.277093 0.000000\n-0.000000 0.000000 4.277093\nTh B Rh\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 -0.000000 Rh\n-0.000000 0.500000 -0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"B",
"Rh"
],
"chemical_system": "B-Rh-Th",
"density": 11.705774608474192,
"density_atomic": 0.06390339384263462,
"volume": 78.24310571536711,
"volume_molar": 9.423819922350024,
"formula_full": "Th1 B1 Rh3",
"formula_reduced": "ThBRh3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.3399754366666667,
"spacegroup": 221
},
{
"id": "jvasp-112559",
"created_at": "2022-09-04T14:38:42.182878Z",
"updated_at": "2022-09-04T14:38:42.182906Z",
"structure_string": "Th2 B8 O16\n1.0\n7.645317 -0.005614 3.378387\n6.482821 4.052645 3.378387\n-0.016916 -0.004846 7.326590\nTh B O\n2 8 16\ndirect\n0.192642 0.807357 0.750001 Th\n0.807357 0.192644 0.250000 Th\n0.452724 0.829556 0.008693 B\n0.547275 0.170445 0.991307 B\n0.829554 0.452726 0.508693 B\n0.170445 0.547276 0.491307 B\n0.000437 0.607650 0.203539 B\n0.607649 0.000437 0.703539 B\n0.999562 0.392351 0.796462 B\n0.392349 0.999564 0.296462 B\n0.935447 0.329215 0.703782 O\n0.708725 0.187468 0.986911 O\n0.812532 0.291275 0.513090 O\n0.329213 0.935448 0.203782 O\n0.064552 0.670786 0.296219 O\n0.670785 0.064553 0.796219 O\n0.506509 0.808332 0.491053 O\n0.070589 0.361724 0.332804 O\n0.493490 0.191669 0.508948 O\n0.808330 0.506510 0.991053 O\n0.638275 0.929412 0.167197 O\n0.187467 0.708726 0.486911 O\n0.361724 0.070589 0.832804 O\n0.929410 0.638277 0.667197 O\n0.191668 0.493491 0.008948 O\n0.291274 0.812533 0.013090 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Th",
"B",
"O"
],
"chemical_system": "B-O-Th",
"density": 5.886508176629275,
"density_atomic": 0.11427422187862483,
"volume": 227.52287937357934,
"volume_molar": 5.269903098877675,
"formula_full": "Th2 B8 O16",
"formula_reduced": "Th(BO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.607457225641026,
"spacegroup": 15
},
{
"id": "jvasp-24787",
"created_at": "2022-09-04T14:38:16.631938Z",
"updated_at": "2022-09-04T14:38:16.631959Z",
"structure_string": "Th4 B8 O20\n1.0\n6.692289 0.016616 1.172414\n3.049793 5.956993 1.172414\n0.025592 0.015693 10.314091\nTh B O\n4 8 20\ndirect\n0.380825 0.982238 0.693696 Th\n0.619173 0.017762 0.306303 Th\n0.982238 0.380826 0.193696 Th\n0.017762 0.619173 0.806303 Th\n0.772769 0.278938 -0.000954 B\n0.721062 0.227231 0.500953 B\n0.278937 0.772768 0.499046 B\n0.561188 0.169630 0.859094 B\n0.169630 0.561187 0.359095 B\n0.438812 0.830369 0.140905 B\n0.830369 0.438812 0.640905 B\n0.227231 0.721062 0.000954 B\n0.831266 0.216023 0.375102 O\n0.783977 0.168734 0.124897 O\n0.168733 0.783976 0.624897 O\n0.216023 0.831266 0.875102 O\n0.398759 0.893482 0.468074 O\n0.106518 0.601240 0.031926 O\n0.601240 0.106518 0.531925 O\n0.893482 0.398760 0.968074 O\n0.054882 0.319958 0.657259 O\n0.945118 0.680041 0.342740 O\n0.319959 0.054882 0.157259 O\n0.645914 0.719590 0.188529 O\n0.719590 0.645914 0.688529 O\n0.354086 0.280410 0.811470 O\n0.360103 0.711575 0.089848 O\n0.711575 0.360103 0.589848 O\n0.639896 0.288424 0.910152 O\n0.288424 0.639896 0.410152 O\n0.680041 0.945118 0.842740 O\n0.280410 0.354086 0.311470 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Th",
"B",
"O"
],
"chemical_system": "B-O-Th",
"density": 5.399934879652697,
"density_atomic": 0.07797027990677646,
"volume": 410.4127885427644,
"volume_molar": 7.7236361947145085,
"formula_full": "Th4 B8 O20",
"formula_reduced": "ThB2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.155419783333333,
"spacegroup": 15
},
{
"id": "jvasp-21065",
"created_at": "2022-09-04T14:37:55.965701Z",
"updated_at": "2022-09-04T14:37:55.965723Z",
"structure_string": "Th2 B8 Mo2\n1.0\n3.806446 0.000000 0.000000\n0.000000 5.917201 -1.516340\n0.000000 0.020478 6.108366\nTh B Mo\n2 8 2\ndirect\n0.000000 0.698114 0.301886 Th\n0.000000 0.301886 0.698114 Th\n0.500000 0.910336 0.089664 B\n0.500000 0.089664 0.910337 B\n0.500000 0.628962 0.628962 B\n0.500000 0.371039 0.371039 B\n0.500000 0.376741 0.064844 B\n0.500000 0.623259 0.935157 B\n0.500000 0.064844 0.376741 B\n0.500000 0.935156 0.623259 B\n0.000000 0.828319 0.828319 Mo\n0.000000 0.171682 0.171682 Mo\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Th",
"B",
"Mo"
],
"chemical_system": "B-Mo-Th",
"density": 8.953212285346225,
"density_atomic": 0.08714596000326436,
"volume": 137.7000150041436,
"volume_molar": 6.91040727507554,
"formula_full": "Th2 B8 Mo2",
"formula_reduced": "ThB4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.946335305555556,
"spacegroup": 65
},
{
"id": "jvasp-15885",
"created_at": "2022-09-04T14:37:45.632592Z",
"updated_at": "2022-09-04T14:37:45.632608Z",
"structure_string": "Th1 B2 Ir3\n1.0\n2.753101 -4.768511 -0.000000\n2.753101 4.768511 0.000000\n-0.000000 -0.000000 3.253098\nTh B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 -0.000000 0.500000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"B",
"Ir"
],
"chemical_system": "B-Ir-Th",
"density": 16.142018662093268,
"density_atomic": 0.07024560788141211,
"volume": 85.41459289709809,
"volume_molar": 8.572978356407015,
"formula_full": "Th1 B2 Ir3",
"formula_reduced": "ThB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.731550677777778,
"spacegroup": 191
},
{
"id": "jvasp-85900",
"created_at": "2022-09-04T14:35:53.127341Z",
"updated_at": "2022-09-04T14:35:53.127372Z",
"structure_string": "Th3 B2 C3\n1.0\n3.701628 0.000000 -0.644854\n0.000000 3.797612 0.000000\n0.025174 0.000000 9.251546\nTh B C\n3 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.380649 0.500000 0.698775 Th\n0.619350 0.500000 0.301225 Th\n0.862948 0.000000 0.560568 B\n0.137051 0.000000 0.439432 B\n0.500000 0.500000 0.000000 C\n0.884220 0.000000 0.723581 C\n0.115779 0.000000 0.276420 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"B",
"C"
],
"chemical_system": "B-C-Th",
"density": 9.619742779408789,
"density_atomic": 0.061484619769474225,
"volume": 130.1138403391709,
"volume_molar": 9.794548266833166,
"formula_full": "Th3 B2 C3",
"formula_reduced": "Th3B2C3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 5.346940245833333,
"spacegroup": 10
},
{
"id": "jvasp-20831",
"created_at": "2022-09-04T14:38:33.883428Z",
"updated_at": "2022-09-04T14:38:33.883453Z",
"structure_string": "Th3 B6 C3\n1.0\n5.292034 0.012951 1.323236\n1.036187 5.189615 1.323236\n0.015752 0.012951 5.454936\nTh B C\n3 6 3\ndirect\n0.684481 0.684482 0.684483 Th\n0.315518 0.315519 0.315519 Th\n0.000000 0.000000 0.000000 Th\n0.776553 0.500000 0.223448 B\n0.499999 0.223447 0.776554 B\n0.223447 0.776554 0.500001 B\n0.223447 0.500000 0.776554 B\n0.776552 0.223447 0.500001 B\n0.500000 0.776554 0.223448 B\n-0.000000 -0.000000 0.500000 C\n0.500000 -0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Th",
"B",
"C"
],
"chemical_system": "B-C-Th",
"density": 8.849194575476558,
"density_atomic": 0.08023629753543751,
"volume": 149.55824693555965,
"volume_molar": 7.505506790539824,
"formula_full": "Th3 B6 C3",
"formula_reduced": "ThB2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.435735191666667,
"spacegroup": 166
}
]
}