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=-density&page=3547",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3545",
"results": [
{
"id": "jvasp-79089",
"created_at": "2022-09-04T14:37:02.812486Z",
"updated_at": "2022-09-04T14:37:02.812512Z",
"structure_string": "Na3 Tl1\n1.0\n-2.452525 2.452525 4.880872\n2.452525 -2.452525 4.880872\n2.452525 2.452525 -4.880872\nNa Tl\n3 1\ndirect\n0.749999 0.250000 0.499999 Na\n0.250000 0.749999 0.499999 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 3.8653428654543602,
"density_atomic": 0.03406243534811583,
"volume": 117.4314155497182,
"volume_molar": 17.679712852161394,
"formula_full": "Na3 Tl1",
"formula_reduced": "Na3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0053175,
"spacegroup": 139
},
{
"id": "jvasp-50518",
"created_at": "2022-09-04T14:37:05.311301Z",
"updated_at": "2022-09-04T14:37:05.311329Z",
"structure_string": "Ti8 O16\n1.0\n2.968152 -5.140989 0.000000\n2.968152 5.140989 -0.000000\n0.000000 -0.000000 8.993922\nTi O\n8 16\ndirect\n0.335832 0.167916 0.210981 Ti\n0.832083 0.664167 0.210981 Ti\n0.167916 0.335832 0.710981 Ti\n0.664167 0.832083 0.710981 Ti\n0.666667 0.333333 0.490627 Ti\n0.832084 0.167916 0.210981 Ti\n0.333333 0.666667 0.990627 Ti\n0.167916 0.832084 0.710981 Ti\n0.170869 0.829130 0.102466 O\n0.333333 0.666667 0.597741 O\n0.476337 0.523663 0.838401 O\n0.047325 0.523663 0.838401 O\n0.829130 0.658260 0.602466 O\n0.170870 0.341739 0.102466 O\n0.952674 0.476337 0.338402 O\n0.000000 0.000000 0.313936 O\n0.829130 0.170869 0.602466 O\n0.000000 0.000000 0.813936 O\n0.476337 0.952674 0.838401 O\n0.666667 0.333333 0.097741 O\n0.523663 0.047325 0.338402 O\n0.341739 0.170870 0.602466 O\n0.523663 0.476337 0.338402 O\n0.658260 0.829130 0.102466 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.8653427152344952,
"density_atomic": 0.08743781915974165,
"volume": 274.480770799578,
"volume_molar": 6.887340990284818,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.511578444444445,
"spacegroup": 186
},
{
"id": "jvasp-118600",
"created_at": "2022-09-04T14:38:45.796565Z",
"updated_at": "2022-09-04T14:38:45.796593Z",
"structure_string": "Li2 Ag1\n1.0\n4.630460 0.000000 -0.979347\n0.000000 2.698772 0.000000\n-1.432759 0.000000 4.488639\nLi Ag\n2 1\ndirect\n-0.200098 0.000000 -0.200132 Li\n0.133408 0.000000 0.466790 Li\n0.466689 0.000000 0.133342 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Ag"
],
"chemical_system": "Ag-Li",
"density": 3.8651805955944494,
"density_atomic": 0.0573551294803647,
"volume": 52.30569658162899,
"volume_molar": 10.49974224548069,
"formula_full": "Li2 Ag1",
"formula_reduced": "Li2Ag",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3245822222222222,
"spacegroup": 191
},
{
"id": "jvasp-107410",
"created_at": "2022-09-04T14:36:55.226046Z",
"updated_at": "2022-09-04T14:36:55.226069Z",
"structure_string": "Rb2 Ga1 Hg1 Cl6\n1.0\n6.366792 -0.000000 3.675869\n2.122264 6.002669 3.675869\n-0.000000 -0.000000 7.351738\nRb Ga Hg Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.767124 0.232876 0.232876 Cl\n0.232875 0.232876 0.767125 Cl\n0.232875 0.767124 0.767125 Cl\n0.232875 0.767124 0.232876 Cl\n0.767124 0.232876 0.767125 Cl\n0.767124 0.767124 0.232876 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Hg",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-Rb",
"density": 3.8650007837496787,
"density_atomic": 0.03559138764165391,
"volume": 280.9668479544369,
"volume_molar": 16.920219072751372,
"formula_full": "Rb2 Ga1 Hg1 Cl6",
"formula_reduced": "Rb2GaHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2367",
"created_at": "2022-09-04T14:36:48.968890Z",
"updated_at": "2022-09-04T14:36:48.968899Z",
"structure_string": "Cd2 Si2 P4\n1.0\n5.169908 -0.000000 -2.470802\n-1.180847 5.033244 -2.470802\n0.012280 0.015495 6.669855\nCd Si P\n2 2 4\ndirect\n0.249999 0.749999 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Si\n0.750000 0.249999 0.500000 Si\n0.830188 0.874999 0.250000 P\n0.625000 0.169811 0.750000 P\n0.419811 0.374999 0.250000 P\n0.124999 0.580187 0.750000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Si",
"P"
],
"chemical_system": "Cd-P-Si",
"density": 3.8649817485892415,
"density_atomic": 0.04598893792563389,
"volume": 173.95487612556627,
"volume_molar": 13.094759373956544,
"formula_full": "Cd2 Si2 P4",
"formula_reduced": "CdSiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7402723375000002,
"spacegroup": 122
},
{
"id": "jvasp-79451",
"created_at": "2022-09-04T14:37:15.186511Z",
"updated_at": "2022-09-04T14:37:15.186532Z",
"structure_string": "Mn1 H1 O2\n1.0\n-0.700421 2.376961 -1.508519\n-2.131023 -2.381137 0.027000\n-0.712039 2.386217 4.092631\nMn H O\n1 1 2\ndirect\n0.075216 0.053229 0.019451 Mn\n0.581306 0.065530 0.554514 H\n0.651699 0.206370 0.782373 O\n0.487007 0.876673 0.228447 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.8649810508935705,
"density_atomic": 0.10586396876748205,
"volume": 37.78433820845633,
"volume_molar": 5.688565080369256,
"formula_full": "Mn1 H1 O2",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.541481060344827,
"spacegroup": 8
},
{
"id": "jvasp-37216",
"created_at": "2022-09-04T14:37:56.941168Z",
"updated_at": "2022-09-04T14:37:56.941197Z",
"structure_string": "Si3 Se1\n1.0\n-0.000000 3.273125 3.273125\n3.273125 -0.000000 3.273125\n3.273125 3.273125 0.000000\nSi Se\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.249999 0.249999 0.249999 Si\n0.749998 0.749998 0.749998 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 3.8645184825908383,
"density_atomic": 0.057035101916353255,
"volume": 70.13224953759764,
"volume_molar": 10.558656963271446,
"formula_full": "Si3 Se1",
"formula_reduced": "Si3Se",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8659672916666663,
"spacegroup": 225
},
{
"id": "jvasp-90410",
"created_at": "2022-09-04T14:36:19.858867Z",
"updated_at": "2022-09-04T14:36:19.858887Z",
"structure_string": "Sr2 Fe1 H6\n1.0\n-3.707146 -3.707146 0.000000\n-3.707146 0.000000 -3.707146\n0.000000 -3.707146 -3.707146\nSr Fe H\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750001 0.750001 Sr\n0.000000 0.000000 0.000000 Fe\n0.780598 0.219403 0.219403 H\n0.780598 0.219403 0.780598 H\n0.780598 0.780598 0.219403 H\n0.219403 0.780598 0.780598 H\n0.219403 0.780598 0.219403 H\n0.219403 0.219403 0.780598 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"H"
],
"chemical_system": "Fe-H-Sr",
"density": 3.864482696552965,
"density_atomic": 0.08832699241294623,
"volume": 101.89410681984069,
"volume_molar": 6.8180072653728505,
"formula_full": "Sr2 Fe1 H6",
"formula_reduced": "Sr2FeH6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.2681420133333337,
"spacegroup": 225
},
{
"id": "jvasp-16172",
"created_at": "2022-09-04T14:36:58.346619Z",
"updated_at": "2022-09-04T14:36:58.346649Z",
"structure_string": "Ca1 Al2 Ga2\n1.0\n4.006688 0.000000 -1.450556\n-0.525151 3.972124 -1.450556\n0.012644 0.014426 6.293786\nCa Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.387395 0.387396 0.774792 Ga\n0.612605 0.612604 0.225207 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ga"
],
"chemical_system": "Al-Ca-Ga",
"density": 3.864250068206004,
"density_atomic": 0.04983371698701049,
"volume": 100.33367571805421,
"volume_molar": 12.08447036284633,
"formula_full": "Ca1 Al2 Ga2",
"formula_reduced": "Ca(AlGa)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3607141340000002,
"spacegroup": 139
},
{
"id": "jvasp-52874",
"created_at": "2022-09-04T14:37:06.351986Z",
"updated_at": "2022-09-04T14:37:06.352010Z",
"structure_string": "Ba2 H8 Br4 O4\n1.0\n4.828167 3.545454 -2.090145\n-4.828167 3.545454 2.090145\n-0.007890 0.000000 8.367172\nBa H Br O\n2 8 4 4\ndirect\n0.899191 0.899191 0.750000 Ba\n0.100808 0.100808 0.250000 Ba\n0.604941 0.753266 0.368133 H\n0.395058 0.246733 0.631867 H\n0.246733 0.395058 0.868132 H\n0.753266 0.604941 0.131867 H\n0.590354 0.767336 0.049572 H\n0.232663 0.409645 0.549572 H\n0.409645 0.232663 0.950428 H\n0.767336 0.590354 0.450428 H\n0.741728 0.304926 0.852481 Br\n0.304926 0.741728 0.647519 Br\n0.258271 0.695073 0.147519 Br\n0.695073 0.258271 0.352481 Br\n0.748509 0.762709 0.058287 O\n0.251490 0.237290 0.941712 O\n0.237290 0.251490 0.558287 O\n0.762709 0.748509 0.441712 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"H",
"Br",
"O"
],
"chemical_system": "Ba-Br-H-O",
"density": 3.864147419711865,
"density_atomic": 0.0628618267693806,
"volume": 286.3422990559293,
"volume_molar": 9.579964613649006,
"formula_full": "Ba2 H8 Br4 O4",
"formula_reduced": "BaH4(BrO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.768442353333333,
"spacegroup": 15
},
{
"id": "jvasp-68793",
"created_at": "2022-09-04T14:36:09.031032Z",
"updated_at": "2022-09-04T14:36:09.031059Z",
"structure_string": "Sc2 Be1 Br1\n1.0\n-1.940620 1.940620 5.101490\n1.940620 -1.940620 5.101490\n1.940620 1.940620 -5.101490\nSc Be Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.750000 0.500000 Sc\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Br"
],
"chemical_system": "Be-Br-Sc",
"density": 3.8640843190561154,
"density_atomic": 0.0520501462973452,
"volume": 76.84896747742702,
"volume_molar": 11.569882485243191,
"formula_full": "Sc2 Be1 Br1",
"formula_reduced": "Sc2BeBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.72248017625,
"spacegroup": 119
},
{
"id": "jvasp-48686",
"created_at": "2022-09-04T14:36:02.558638Z",
"updated_at": "2022-09-04T14:36:02.558664Z",
"structure_string": "Li4 Fe3 O2 F6\n1.0\n-5.034655 0.007208 0.012705\n0.949704 5.237709 -0.027736\n-0.111745 -1.747446 -5.551726\nLi Fe O F\n4 3 2 6\ndirect\n0.262627 0.972841 0.864224 Li\n0.758991 -0.002350 0.633848 Li\n0.241011 0.002350 0.366152 Li\n0.737375 0.027159 0.135777 Li\n0.499172 0.496436 0.784706 Fe\n0.500831 0.503564 0.215295 Fe\n0.000000 0.500000 0.000000 Fe\n0.641477 0.243626 0.933519 O\n0.358526 0.756375 0.066482 O\n0.132996 0.206678 0.684990 F\n0.875599 0.766002 0.820690 F\n0.597508 0.253251 0.435430 F\n0.402494 0.746749 0.564570 F\n0.124404 0.233998 0.179310 F\n0.867006 0.793322 0.315010 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.863988521783294,
"density_atomic": 0.10227198657394249,
"volume": 146.66772889128367,
"volume_molar": 5.888358055552193,
"formula_full": "Li4 Fe3 O2 F6",
"formula_reduced": "Li4Fe3(OF3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 1.2570756796666664,
"spacegroup": 2
}
]
}