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=3569",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3567",
"results": [
{
"id": "jvasp-118709",
"created_at": "2022-09-04T14:38:48.482987Z",
"updated_at": "2022-09-04T14:38:48.483004Z",
"structure_string": "Mg1 Si1 O3\n1.0\n3.518575 -0.000000 -0.000000\n0.000000 3.518575 0.000000\n-0.000000 0.000000 3.518575\nMg Si O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.826779949808507,
"density_atomic": 0.11478088431893511,
"volume": 43.561260480506355,
"volume_molar": 5.24664084593269,
"formula_full": "Mg1 Si1 O3",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.51215763,
"spacegroup": 221
},
{
"id": "jvasp-10693",
"created_at": "2022-09-04T14:36:37.835089Z",
"updated_at": "2022-09-04T14:36:37.835102Z",
"structure_string": "K6 Sb2 O8\n1.0\n0.000000 5.742382 0.000564\n7.363319 0.000000 0.000000\n0.000000 -2.090849 -6.220342\nK Sb O\n6 2 8\ndirect\n0.250000 0.611690 0.000000 K\n0.750000 0.388310 0.000000 K\n0.750000 0.610432 0.500000 K\n0.250000 0.389568 0.500000 K\n0.750000 0.893273 0.000000 K\n0.250000 0.106727 0.000000 K\n0.250000 0.884369 0.500000 Sb\n0.750000 0.115631 0.500000 Sb\n0.005928 0.089399 0.329565 O\n0.494072 0.089399 0.670434 O\n0.432224 0.700001 0.710915 O\n0.067776 0.700001 0.289085 O\n0.567776 0.299999 0.289085 O\n0.932224 0.299999 0.710915 O\n0.994072 0.910601 0.670435 O\n0.505928 0.910601 0.329566 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Sb",
"O"
],
"chemical_system": "K-O-Sb",
"density": 3.8267610368718863,
"density_atomic": 0.06083511900252268,
"volume": 263.00597849305626,
"volume_molar": 9.899118895041985,
"formula_full": "K6 Sb2 O8",
"formula_reduced": "K3SbO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0173517625,
"spacegroup": 13
},
{
"id": "jvasp-109888",
"created_at": "2022-09-04T14:38:11.428156Z",
"updated_at": "2022-09-04T14:38:11.428179Z",
"structure_string": "Rb2 Lu1 Ag1 Cl6\n1.0\n6.428489 -0.000000 3.711490\n2.142830 6.060837 3.711490\n-0.000000 -0.000000 7.422979\nRb Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.756205 0.243796 0.243795 Cl\n0.243796 0.243796 0.756205 Cl\n0.243795 0.756205 0.756204 Cl\n0.243795 0.756205 0.243795 Cl\n0.756205 0.243796 0.756205 Cl\n0.756205 0.756205 0.243795 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Lu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Lu-Rb",
"density": 3.8266805757388305,
"density_atomic": 0.03457643861175291,
"volume": 289.2142858403262,
"volume_molar": 17.416891391333195,
"formula_full": "Rb2 Lu1 Ag1 Cl6",
"formula_reduced": "Rb2LuAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-70252",
"created_at": "2022-09-04T14:36:02.313813Z",
"updated_at": "2022-09-04T14:36:02.313845Z",
"structure_string": "Na1 Be2 Te1\n1.0\n-2.028831 2.028831 4.444172\n2.028831 -2.028831 4.444172\n2.028831 2.028831 -4.444172\nNa Be Te\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Te"
],
"chemical_system": "Be-Na-Te",
"density": 3.8264890730404044,
"density_atomic": 0.05466601256763792,
"volume": 73.17160722214419,
"volume_molar": 11.016242958179621,
"formula_full": "Na1 Be2 Te1",
"formula_reduced": "NaBe2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1128397416666669,
"spacegroup": 139
},
{
"id": "jvasp-40475",
"created_at": "2022-09-04T14:37:49.457137Z",
"updated_at": "2022-09-04T14:37:49.457159Z",
"structure_string": "Li5 Si2 Bi1 O8\n1.0\n3.724233 3.892284 -0.038264\n-3.724233 3.892284 0.038264\n-0.072884 0.000000 6.405369\nLi Si Bi O\n5 2 1 8\ndirect\n0.186281 0.830550 0.529845 Li\n0.673576 0.673575 0.750000 Li\n0.324927 0.324927 0.750000 Li\n0.288639 0.288639 0.250000 Li\n0.830551 0.186280 0.970155 Li\n0.177001 0.838780 0.986037 Si\n0.838781 0.177000 0.513963 Si\n0.680528 0.680527 0.250000 Bi\n0.320853 0.699733 0.796208 O\n0.253528 0.699361 0.220243 O\n0.138210 0.209182 0.503760 O\n0.810536 0.868310 0.534367 O\n0.209183 0.138210 0.996240 O\n0.868311 0.810535 0.965633 O\n0.699733 0.320853 0.703793 O\n0.699361 0.253527 0.279758 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 3.826286793231216,
"density_atomic": 0.08616983146466811,
"volume": 185.6798339748456,
"volume_molar": 6.988688103062191,
"formula_full": "Li5 Si2 Bi1 O8",
"formula_reduced": "Li5Si2BiO8",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.18443309375,
"spacegroup": 5
},
{
"id": "jvasp-110999",
"created_at": "2022-09-04T14:38:49.583332Z",
"updated_at": "2022-09-04T14:38:49.583347Z",
"structure_string": "Sr1 Al1 Ga1\n1.0\n4.397941 0.000000 0.000000\n-2.198971 3.808729 0.000000\n0.000000 -0.000000 4.775631\nSr Al Ga\n1 1 1\ndirect\n0.666667 0.333333 -0.000000 Sr\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.500000 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Sr",
"density": 3.826238336231038,
"density_atomic": 0.03750256915069429,
"volume": 79.99451952065691,
"volume_molar": 16.057941886065457,
"formula_full": "Sr1 Al1 Ga1",
"formula_reduced": "SrAlGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1927946566666666,
"spacegroup": 187
},
{
"id": "jvasp-48613",
"created_at": "2022-09-04T14:37:05.318098Z",
"updated_at": "2022-09-04T14:37:05.318118Z",
"structure_string": "Cr4 P4 O16\n1.0\n4.683332 0.000000 0.000000\n-0.000000 6.290719 0.000000\n0.000000 0.000000 8.660091\nCr P O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.521944 0.750000 0.177004 P\n0.021944 0.250000 0.322996 P\n0.978056 0.750000 0.677004 P\n0.478056 0.250000 0.822996 P\n0.939228 0.750000 0.859454 O\n0.798841 0.250000 0.881226 O\n0.298841 0.750000 0.618774 O\n0.439228 0.250000 0.640546 O\n0.837016 0.545584 0.622964 O\n0.837016 0.954416 0.622964 O\n0.162983 0.045584 0.377036 O\n0.201159 0.750000 0.118774 O\n0.560771 0.750000 0.359454 O\n0.701159 0.250000 0.381226 O\n0.337016 0.454416 0.877036 O\n0.060771 0.250000 0.140546 O\n0.662983 0.545584 0.122964 O\n0.662983 0.954416 0.122964 O\n0.162983 0.454416 0.377036 O\n0.337016 0.045584 0.877036 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.8260672172379757,
"density_atomic": 0.09406619002806663,
"volume": 255.13949265766047,
"volume_molar": 6.402024742580909,
"formula_full": "Cr4 P4 O16",
"formula_reduced": "CrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.851949483333334,
"spacegroup": 62
},
{
"id": "jvasp-110822",
"created_at": "2022-09-04T14:38:48.073999Z",
"updated_at": "2022-09-04T14:38:48.074025Z",
"structure_string": "Mg5 Pb1\n1.0\n8.440450 0.006710 0.000000\n-7.783644 3.264373 0.000000\n-0.000000 -0.000000 5.168526\nMg Pb\n5 1\ndirect\n0.999773 0.000227 -0.000000 Mg\n0.335862 0.664137 -0.000000 Mg\n0.662528 0.337471 -0.000000 Mg\n0.449175 0.550825 0.500000 Mg\n0.109381 0.890618 0.500000 Mg\n0.776619 0.223381 0.500000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 3.8258442921985893,
"density_atomic": 0.04205297350933065,
"volume": 142.67718782522547,
"volume_molar": 14.320368472074435,
"formula_full": "Mg5 Pb1",
"formula_reduced": "Mg5Pb",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0009266666666666,
"spacegroup": 38
},
{
"id": "jvasp-118337",
"created_at": "2022-09-04T14:38:52.761615Z",
"updated_at": "2022-09-04T14:38:52.761631Z",
"structure_string": "Ti1 O1 F1\n1.0\n3.639472 -0.000000 0.000000\n-1.819736 3.151875 -0.000000\n-0.000000 -0.000000 3.135434\nTi O F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Ti\n0.333333 0.666666 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.8257287027532763,
"density_atomic": 0.08340963548748612,
"volume": 35.967067623141546,
"volume_molar": 7.219958131699901,
"formula_full": "Ti1 O1 F1",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0377707052777778,
"spacegroup": 187
},
{
"id": "jvasp-78676",
"created_at": "2022-09-04T14:37:17.849301Z",
"updated_at": "2022-09-04T14:37:17.849331Z",
"structure_string": "Ti2 Al2\n1.0\n3.985387 0.000000 -0.000000\n0.000000 3.985387 0.000000\n-0.000000 -0.000000 4.090871\nTi Al\n2 2\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.825653514669619,
"density_atomic": 0.061560651425439664,
"volume": 64.97657038026433,
"volume_molar": 9.782451323299963,
"formula_full": "Ti2 Al2",
"formula_reduced": "TiAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.631260566666667,
"spacegroup": 123
},
{
"id": "jvasp-9438",
"created_at": "2022-09-04T14:36:50.125456Z",
"updated_at": "2022-09-04T14:36:50.125490Z",
"structure_string": "Mg2 Ti2 O6\n1.0\n4.509343 -0.002424 3.155423\n1.641928 4.199791 3.155423\n-0.003552 -0.002424 5.503712\nMg Ti O\n2 2 6\ndirect\n0.354618 0.354619 0.354618 Mg\n0.645381 0.645383 0.645380 Mg\n0.143758 0.143758 0.143758 Ti\n0.856242 0.856243 0.856240 Ti\n0.048795 0.772856 0.437609 O\n0.772855 0.437610 0.048794 O\n0.437609 0.048796 0.772855 O\n0.951205 0.227146 0.562389 O\n0.562390 0.951206 0.227143 O\n0.227145 0.562391 0.951204 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.8256082458016687,
"density_atomic": 0.09585717322928601,
"volume": 104.32187454641974,
"volume_molar": 6.282410128656007,
"formula_full": "Mg2 Ti2 O6",
"formula_reduced": "MgTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5318135766666665,
"spacegroup": 148
},
{
"id": "jvasp-14160",
"created_at": "2022-09-04T14:36:58.177233Z",
"updated_at": "2022-09-04T14:36:58.177259Z",
"structure_string": "Sn4 Ge4 S12\n1.0\n0.000000 6.930911 -0.084400\n10.205039 0.000000 0.000000\n0.000000 -2.004348 -7.034067\nSn Ge S\n4 4 12\ndirect\n0.727752 0.417131 0.873392 Sn\n0.772248 0.917131 0.126609 Sn\n0.272248 0.582869 0.126609 Sn\n0.227752 0.082869 0.873392 Sn\n0.001809 0.707413 0.679001 Ge\n0.501808 0.792587 0.679001 Ge\n0.998191 0.292587 0.320999 Ge\n0.498191 0.207413 0.320999 Ge\n0.421731 0.322671 0.053714 S\n0.078269 0.822671 0.946287 S\n0.587109 0.996899 0.775086 S\n0.912891 0.496899 0.224914 S\n0.412891 0.003101 0.224914 S\n0.183679 0.787606 0.485602 S\n0.816321 0.212394 0.514399 S\n0.316321 0.287606 0.514399 S\n0.578269 0.677329 0.946287 S\n0.921731 0.177329 0.053714 S\n0.087109 0.503101 0.775086 S\n0.683679 0.712394 0.485602 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sn",
"Ge",
"S"
],
"chemical_system": "Ge-S-Sn",
"density": 3.825595618027194,
"density_atomic": 0.040060295450382546,
"volume": 499.24744126691195,
"volume_molar": 15.032691826895883,
"formula_full": "Sn4 Ge4 S12",
"formula_reduced": "SnGeS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.38085353,
"spacegroup": 14
}
]
}