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=-energy_above_hull&page=983",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=981",
"results": [
{
"id": "jvasp-88447",
"created_at": "2022-09-04T14:35:51.299537Z",
"updated_at": "2022-09-04T14:35:51.299561Z",
"structure_string": "La4 Zr4 O14\n1.0\n6.643415 -0.000000 3.835577\n2.214472 6.263472 3.835577\n-0.000000 -0.000000 7.671154\nLa Zr O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 La\n-0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000001 La\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Zr\n-0.000000 0.500000 0.000000 Zr\n0.082188 0.667812 0.082188 O\n0.667812 0.082188 0.667812 O\n0.667812 0.082188 0.082188 O\n0.624999 0.625000 0.625000 O\n0.917812 0.332188 0.332188 O\n0.332187 0.917812 0.332188 O\n0.332187 0.332188 0.917812 O\n0.917811 0.917812 0.332189 O\n0.917812 0.332188 0.917813 O\n0.082188 0.667812 0.667812 O\n0.332187 0.917812 0.917813 O\n0.375000 0.375000 0.375000 O\n0.667812 0.667812 0.082189 O\n0.082188 0.082188 0.667812 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"La",
"Zr",
"O"
],
"chemical_system": "La-O-Zr",
"density": 5.953896315481019,
"density_atomic": 0.06892161673336099,
"volume": 319.2031911426574,
"volume_molar": 8.737666127737583,
"formula_full": "La4 Zr4 O14",
"formula_reduced": "La2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8764030454545457,
"spacegroup": 227
},
{
"id": "jvasp-112697",
"created_at": "2022-09-04T14:38:43.454267Z",
"updated_at": "2022-09-04T14:38:43.454330Z",
"structure_string": "Be4 B2 H6 O10\n1.0\n10.543668 0.000000 0.000000\n-0.000000 3.851505 2.209628\n-0.000000 0.009647 4.453186\nBe B H O\n4 2 6 10\ndirect\n0.800102 0.014490 0.976846 Be\n0.300102 0.985512 0.023154 Be\n0.696829 0.349782 0.311081 Be\n0.196829 0.650220 0.688919 Be\n0.751080 0.683020 0.644066 B\n0.251080 0.316982 0.355934 B\n0.011366 0.768619 0.449771 H\n0.496655 0.747042 0.141964 H\n0.511366 0.231383 0.550229 H\n0.996655 0.252960 0.858037 H\n0.994766 0.872556 0.857370 H\n0.494766 0.127446 0.142631 H\n0.958155 0.007095 -0.029329 O\n0.753109 0.992760 0.334725 O\n0.748680 0.683460 0.952992 O\n0.750749 0.373128 0.644851 O\n0.253109 0.007242 0.665276 O\n0.248680 0.316542 0.047008 O\n0.250749 0.626874 0.355149 O\n0.543288 0.352363 0.310041 O\n0.043288 0.647639 0.689959 O\n0.458155 0.992907 0.029329 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Be",
"B",
"H",
"O"
],
"chemical_system": "B-Be-H-O",
"density": 2.0567720258165627,
"density_atomic": 0.12180629834892187,
"volume": 180.6146340395273,
"volume_molar": 4.944030679554186,
"formula_full": "Be4 B2 H6 O10",
"formula_reduced": "Be2BH3O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 2.876399298484848,
"spacegroup": 4
},
{
"id": "jvasp-37260",
"created_at": "2022-09-04T14:37:54.746255Z",
"updated_at": "2022-09-04T14:37:54.746275Z",
"structure_string": "Si1 Rh3\n1.0\n-1.930863 1.930863 3.672736\n1.930863 -1.930863 3.672736\n1.930863 1.930863 -3.672736\nSi Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750001 0.250000 0.500001 Rh\n0.250000 0.750001 0.500001 Rh\n0.500001 0.500001 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 10.211067215107835,
"density_atomic": 0.07303102012511929,
"volume": 54.77124642579359,
"volume_molar": 8.246003889419397,
"formula_full": "Si1 Rh3",
"formula_reduced": "SiRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8763894,
"spacegroup": 139
},
{
"id": "jvasp-42997",
"created_at": "2022-09-04T14:38:10.617996Z",
"updated_at": "2022-09-04T14:38:10.618012Z",
"structure_string": "Fe2 Ni2 P4 O16\n1.0\n0.000000 4.732915 -0.021332\n5.735550 0.000000 0.000000\n0.000000 0.010993 -9.692121\nFe Ni P O\n2 2 4 16\ndirect\n0.061780 0.750000 0.271287 Fe\n0.938219 0.250000 0.728713 Fe\n0.567523 0.250000 0.224003 Ni\n0.432476 0.750000 0.775996 Ni\n0.615676 0.750000 0.085208 P\n0.107827 0.250000 0.406090 P\n0.892171 0.750000 0.593909 P\n0.384322 0.250000 0.914792 P\n0.232780 0.040760 0.839452 O\n0.232780 0.459240 0.839452 O\n0.738366 0.539587 0.666841 O\n0.738366 0.960413 0.666841 O\n0.212125 0.750000 0.614389 O\n0.162615 0.250000 0.561967 O\n0.837383 0.750000 0.438032 O\n0.767218 0.540761 0.160548 O\n0.261633 0.460413 0.333158 O\n0.261633 0.039587 0.333158 O\n0.702272 0.250000 0.887607 O\n0.767218 0.959240 0.160548 O\n0.297726 0.750000 0.112393 O\n0.322004 0.250000 0.069458 O\n0.787873 0.250000 0.385610 O\n0.677995 0.750000 0.930541 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Fe",
"Ni",
"P",
"O"
],
"chemical_system": "Fe-Ni-O-P",
"density": 3.843430967659333,
"density_atomic": 0.09122016626522764,
"volume": 263.09971777752173,
"volume_molar": 6.601764726552127,
"formula_full": "Fe2 Ni2 P4 O16",
"formula_reduced": "FeNi(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.876374741666667,
"spacegroup": 11
},
{
"id": "jvasp-106611",
"created_at": "2022-09-04T14:36:49.862491Z",
"updated_at": "2022-09-04T14:36:49.862512Z",
"structure_string": "Tb1 Th3\n1.0\n5.041767 0.000000 0.000000\n0.000000 5.041767 0.000000\n-0.000000 -0.000000 5.041767\nTb Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\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": [
"Tb",
"Th"
],
"chemical_system": "Tb-Th",
"density": 11.078653434178674,
"density_atomic": 0.031211287007952677,
"volume": 128.15876509612676,
"volume_molar": 19.294753075916258,
"formula_full": "Tb1 Th3",
"formula_reduced": "TbTh3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8763738,
"spacegroup": 221
},
{
"id": "jvasp-89267",
"created_at": "2022-09-04T14:35:55.627535Z",
"updated_at": "2022-09-04T14:35:55.627548Z",
"structure_string": "Cu2 W2 O8\n1.0\n4.673251 0.010122 0.579241\n0.199923 4.920028 0.167985\n-0.023090 0.029425 5.917594\nCu W O\n2 2 8\ndirect\n0.496195 0.752222 0.658377 Cu\n0.503804 0.247778 0.341623 Cu\n0.017436 0.746159 0.172358 W\n0.982564 0.253842 0.827642 W\n0.218961 0.054662 0.090354 O\n0.781038 0.945339 0.909646 O\n0.265287 0.094418 0.618962 O\n0.734712 0.905583 0.381038 O\n0.251701 0.571905 0.354043 O\n0.748298 0.428096 0.645957 O\n0.216773 0.570499 0.882226 O\n0.783226 0.429502 0.117774 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"W",
"O"
],
"chemical_system": "Cu-O-W",
"density": 7.598610065590686,
"density_atomic": 0.08817400674503137,
"volume": 136.09452992989006,
"volume_molar": 6.829836799198591,
"formula_full": "Cu2 W2 O8",
"formula_reduced": "CuWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8763724083333337,
"spacegroup": 2
},
{
"id": "jvasp-116710",
"created_at": "2022-09-04T14:38:45.018674Z",
"updated_at": "2022-09-04T14:38:45.018701Z",
"structure_string": "Be2 B1 H3 O5\n1.0\n4.438238 -0.002348 0.058709\n-2.219286 3.859425 -0.180725\n0.022628 0.015050 5.280912\nBe B H O\n2 1 3 5\ndirect\n0.326825 0.657434 0.393325 Be\n0.665365 0.334951 0.599649 Be\n0.995601 0.995044 0.501420 B\n0.542849 0.466207 0.992227 H\n0.927199 0.469895 0.989694 H\n0.434309 0.869235 0.016131 H\n0.678586 0.353872 0.914628 O\n0.305591 -0.004365 0.506901 O\n0.686510 0.685653 0.498995 O\n-0.004651 0.303487 0.498774 O\n0.313413 0.637179 0.087439 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Be",
"B",
"H",
"O"
],
"chemical_system": "B-Be-H-O",
"density": 2.053880310371502,
"density_atomic": 0.12163504497235897,
"volume": 90.4344632132927,
"volume_molar": 4.9509915184135505,
"formula_full": "Be2 B1 H3 O5",
"formula_reduced": "Be2BH3O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 2.8763592984848483,
"spacegroup": 1
},
{
"id": "jvasp-114615",
"created_at": "2022-09-04T14:38:42.241591Z",
"updated_at": "2022-09-04T14:38:42.241619Z",
"structure_string": "Be1 Ge1 Ir1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nBe Ge Ir\n1 1 1\ndirect\n0.259656 0.000608 0.000000 Be\n0.000501 0.316748 0.000000 Ge\n-0.021872 -0.045329 0.000000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Ge",
"Ir"
],
"chemical_system": "Be-Ge-Ir",
"density": 2.1893597023897438,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Be1 Ge1 Ir1",
"formula_reduced": "BeGeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.87633105,
"spacegroup": 6
},
{
"id": "jvasp-39185",
"created_at": "2022-09-04T14:37:03.692920Z",
"updated_at": "2022-09-04T14:37:03.692938Z",
"structure_string": "Mn3 Zn1\n1.0\n-1.748093 1.748093 3.798417\n1.748093 -1.748093 3.798417\n1.748093 1.748093 -3.798417\nMn Zn\n3 1\ndirect\n0.749999 0.250001 0.499999 Mn\n0.250001 0.749999 0.499999 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Zn"
],
"chemical_system": "Mn-Zn",
"density": 8.233914654647005,
"density_atomic": 0.0861525807530105,
"volume": 46.42925336697154,
"volume_molar": 6.990087478940163,
"formula_full": "Mn3 Zn1",
"formula_reduced": "Mn3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 2.87620566091954,
"spacegroup": 139
},
{
"id": "jvasp-57185",
"created_at": "2022-09-04T14:37:52.423015Z",
"updated_at": "2022-09-04T14:37:52.423038Z",
"structure_string": "Y4 Si4 O14\n1.0\n0.000000 5.103930 0.003086\n8.078706 0.000000 0.000000\n0.000000 -2.189653 -7.076544\nY Si O\n4 4 14\ndirect\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.499999 Y\n0.500000 0.500000 0.499999 Y\n0.473135 0.250000 0.893487 Si\n0.100992 0.750000 0.681313 Si\n0.526865 0.750000 0.106512 Si\n0.899008 0.250000 0.318686 Si\n0.465470 0.578536 0.202162 O\n0.921849 0.581158 0.669668 O\n0.534530 0.078536 0.797837 O\n0.817774 0.750000 0.057381 O\n0.319350 0.750000 0.559517 O\n0.921849 0.918843 0.669668 O\n0.078152 0.418843 0.330331 O\n0.465470 0.921464 0.202162 O\n0.680650 0.250000 0.440482 O\n0.078152 0.081157 0.330331 O\n0.182226 0.250000 0.942617 O\n0.742511 0.250000 0.085776 O\n0.257489 0.750000 0.914223 O\n0.534530 0.421464 0.797837 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Si",
"O"
],
"chemical_system": "O-Si-Y",
"density": 3.938598752239064,
"density_atomic": 0.0754112631289944,
"volume": 291.7336096382313,
"volume_molar": 7.985731189383279,
"formula_full": "Y4 Si4 O14",
"formula_reduced": "Y2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.876081145454545,
"spacegroup": 11
},
{
"id": "jvasp-48198",
"created_at": "2022-09-04T14:35:43.716772Z",
"updated_at": "2022-09-04T14:35:43.716789Z",
"structure_string": "Li4 Mn1 Sb2 W1 O12\n1.0\n-5.071118 0.001100 0.000752\n0.001141 -5.403141 -0.039549\n0.007487 0.582313 7.391134\nLi Mn Sb W O\n4 1 2 1 12\ndirect\n0.996971 0.444290 0.300323 Li\n0.499500 0.910546 0.772043 Li\n0.002088 0.565273 0.707722 Li\n0.498904 0.896710 0.309095 Li\n0.501485 0.492204 0.499035 Mn\n0.003460 0.006377 0.506325 Sb\n0.499828 0.486273 -0.001085 Sb\n-0.000801 -0.001514 0.006860 W\n0.683154 0.166922 0.929207 O\n0.816777 0.328896 0.554535 O\n0.166905 0.314434 0.066728 O\n0.630226 0.516663 0.251711 O\n0.372765 0.516528 0.746518 O\n0.132689 -0.002006 0.760455 O\n0.199714 0.691787 0.435534 O\n0.311161 0.820648 0.062049 O\n0.866435 0.005479 0.245129 O\n0.315342 0.197995 0.427195 O\n0.817075 0.690250 0.931724 O\n0.686323 0.809849 0.560083 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Sb",
"W",
"O"
],
"chemical_system": "Li-Mn-O-Sb-W",
"density": 5.759828073603108,
"density_atomic": 0.09881420425102108,
"volume": 202.4000512030975,
"volume_molar": 6.094407990881302,
"formula_full": "Li4 Mn1 Sb2 W1 O12",
"formula_reduced": "Li4MnSb2WO12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.8760635720689653,
"spacegroup": 1
},
{
"id": "jvasp-15299",
"created_at": "2022-09-04T14:37:01.873245Z",
"updated_at": "2022-09-04T14:37:01.873267Z",
"structure_string": "Y1 Si2 Pt2\n1.0\n3.938268 -0.000000 -1.537246\n-0.600042 3.892287 -1.537246\n-0.028002 -0.032650 5.741605\nY Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.619526 0.619526 0.239050 Si\n0.380475 0.380474 0.760950 Si\n0.250001 0.750000 0.500000 Pt\n0.750001 0.250000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Y",
"density": 10.144094832831778,
"density_atomic": 0.05706656214180552,
"volume": 87.6169829115591,
"volume_molar": 10.552836081198473,
"formula_full": "Y1 Si2 Pt2",
"formula_reduced": "Y(SiPt)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.8759330899999997,
"spacegroup": 139
}
]
}