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=-updated_at&page=488",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=486",
"results": [
{
"id": "jvasp-116261",
"created_at": "2022-09-04T14:38:40.973861Z",
"updated_at": "2022-09-04T14:38:40.973887Z",
"structure_string": "Li2 H1\n1.0\n2.819996 0.096156 0.078859\n1.493962 -2.392792 0.267038\n-1.245853 0.188724 -4.962758\nLi H\n2 1\ndirect\n-0.197601 0.652143 0.226185 Li\n0.308658 0.175759 0.752283 Li\n0.055574 -0.086040 0.989208 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"H"
],
"chemical_system": "H-Li",
"density": 0.7312376968156507,
"density_atomic": 0.08872331938403744,
"volume": 33.812981985204466,
"volume_molar": 6.787551234341517,
"formula_full": "Li2 H1",
"formula_reduced": "Li2H",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0642933333333335,
"spacegroup": 166
},
{
"id": "jvasp-114521",
"created_at": "2022-09-04T14:38:40.972630Z",
"updated_at": "2022-09-04T14:38:40.972659Z",
"structure_string": "Y1 B1 O1\n1.0\n3.401559 -0.000000 0.000000\n0.000000 3.401559 0.000000\n0.000000 0.000000 6.087804\nY B O\n1 1 1\ndirect\n0.000000 0.000000 0.668839 Y\n0.000000 0.000000 0.234660 B\n0.000000 0.000000 0.028714 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"B",
"O"
],
"chemical_system": "B-O-Y",
"density": 2.727889477099035,
"density_atomic": 0.04258969958279048,
"volume": 70.43956706405676,
"volume_molar": 14.139899597773658,
"formula_full": "Y1 B1 O1",
"formula_reduced": "YBO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5861338444444444,
"spacegroup": 99
},
{
"id": "jvasp-111971",
"created_at": "2022-09-04T14:38:40.967943Z",
"updated_at": "2022-09-04T14:38:40.967970Z",
"structure_string": "Na8 Fe4 O12\n1.0\n5.183917 -0.000000 0.000000\n-2.591958 4.489404 -0.000000\n0.000000 -0.000000 10.636523\nNa Fe O\n8 4 12\ndirect\n-0.000000 0.681785 0.750000 Na\n0.318214 0.000000 0.250000 Na\n-0.000000 0.318214 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.318214 0.318214 0.750000 Na\n0.681786 0.000000 0.750000 Na\n0.681786 0.681785 0.250000 Na\n0.666667 0.333333 0.000000 Fe\n0.333333 0.666666 0.000000 Fe\n0.333333 0.666666 0.500000 Fe\n0.666667 0.333333 0.500000 Fe\n0.621639 0.621639 0.598413 O\n-0.000000 0.621639 0.098413 O\n-0.000000 0.621639 0.401587 O\n-0.000000 0.378361 0.598413 O\n-0.000000 0.378361 0.901587 O\n0.378361 0.000000 0.598413 O\n0.378361 0.000000 0.901587 O\n0.621640 0.000000 0.098413 O\n0.621640 0.000000 0.401587 O\n0.378361 0.378361 0.098413 O\n0.378361 0.378361 0.401587 O\n0.621639 0.621639 0.901587 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 4.020132875159168,
"density_atomic": 0.09695379869237816,
"volume": 247.54058452262288,
"volume_molar": 6.211351015866301,
"formula_full": "Na8 Fe4 O12",
"formula_reduced": "Na2FeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.436675666666667,
"spacegroup": 193
},
{
"id": "jvasp-111680",
"created_at": "2022-09-04T14:38:40.966618Z",
"updated_at": "2022-09-04T14:38:40.966642Z",
"structure_string": "Mn2 Nb6 Se12\n1.0\n6.095085 0.000000 -0.000000\n-3.047542 5.278498 -0.000000\n-0.000000 0.000000 12.926882\nMn Nb Se\n2 6 12\ndirect\n0.333333 0.666667 0.250000 Mn\n0.666667 0.333333 0.750000 Mn\n0.333333 0.666667 0.001383 Nb\n0.666667 0.333333 -0.001383 Nb\n0.666667 0.333333 0.501383 Nb\n0.333333 0.666667 0.498617 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.673761 0.665859 0.129691 Se\n0.007903 0.334141 0.870309 Se\n0.326238 -0.007903 0.870309 Se\n0.665859 0.673762 0.870309 Se\n0.665858 -0.007903 0.629691 Se\n0.673761 0.007903 0.370309 Se\n0.326238 0.334141 0.629691 Se\n-0.007903 0.665859 0.370309 Se\n-0.007903 0.326238 0.129691 Se\n0.334141 0.326238 0.370309 Se\n0.007903 0.673762 0.629691 Se\n0.334141 0.007903 0.129691 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Se"
],
"chemical_system": "Mn-Nb-Se",
"density": 6.447526999557526,
"density_atomic": 0.04808903734028645,
"volume": 415.89520410809007,
"volume_molar": 12.522897302739246,
"formula_full": "Mn2 Nb6 Se12",
"formula_reduced": "Mn(NbSe2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.3989795641379312,
"spacegroup": 182
},
{
"id": "jvasp-111527",
"created_at": "2022-09-04T14:38:40.959903Z",
"updated_at": "2022-09-04T14:38:40.959927Z",
"structure_string": "Cr9 Fe1 B6\n1.0\n4.870102 -0.000314 -4.000431\n-1.088357 4.746934 -4.000431\n0.000250 0.000314 6.302487\nCr Fe B\n9 1 6\ndirect\n0.522444 0.025128 0.843415 Cr\n0.181713 0.679029 0.156585 Cr\n0.025128 0.181713 0.502684 Cr\n0.679029 0.522444 0.497316 Cr\n0.477554 0.974871 0.156585 Cr\n0.818286 0.320970 0.843415 Cr\n0.974870 0.818286 0.497316 Cr\n0.320970 0.477555 0.502683 Cr\n0.499999 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.885452 0.377572 0.263025 B\n0.114547 0.622427 0.736975 B\n0.377572 0.114547 0.492120 B\n0.622427 0.885452 0.507879 B\n0.252047 0.252048 -0.000000 B\n0.747951 0.747952 -0.000000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"B"
],
"chemical_system": "B-Cr-Fe",
"density": 6.708603190398889,
"density_atomic": 0.10980616731081703,
"volume": 145.7113055836877,
"volume_molar": 5.484337453427134,
"formula_full": "Cr9 Fe1 B6",
"formula_reduced": "Cr9FeB6",
"formula_anonymous": "AB6C9",
"energy_above_hull": 5.700626725,
"spacegroup": 87
},
{
"id": "jvasp-114627",
"created_at": "2022-09-04T14:38:40.951233Z",
"updated_at": "2022-09-04T14:38:40.951259Z",
"structure_string": "Ba1 Ag1 O1\n1.0\n4.348869 -0.000000 0.000000\n0.000000 4.348869 0.000000\n0.000000 -0.000000 7.329386\nBa Ag O\n1 1 1\ndirect\n0.000000 0.000000 0.406383 Ba\n0.000000 0.000000 -0.023593 Ag\n0.000000 0.000000 0.697611 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 3.128909816087888,
"density_atomic": 0.0216421802108527,
"volume": 138.6181970010405,
"volume_molar": 27.825943141255856,
"formula_full": "Ba1 Ag1 O1",
"formula_reduced": "BaAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5077122433333332,
"spacegroup": 99
},
{
"id": "jvasp-116265",
"created_at": "2022-09-04T14:38:40.951102Z",
"updated_at": "2022-09-04T14:38:40.951127Z",
"structure_string": "Li2 H1\n1.0\n2.652844 0.000000 -0.231936\n0.000000 3.060337 0.000000\n-0.652010 0.000000 5.212943\nLi H\n2 1\ndirect\n-0.138806 0.000000 -0.109549 Li\n0.072141 0.000000 0.376208 Li\n0.466665 0.000000 0.133342 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"H"
],
"chemical_system": "H-Li",
"density": 0.5906814998120947,
"density_atomic": 0.07166920358494988,
"volume": 41.85898335599731,
"volume_molar": 8.402689661343768,
"formula_full": "Li2 H1",
"formula_reduced": "Li2H",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0995833333333336,
"spacegroup": 10
},
{
"id": "jvasp-114368",
"created_at": "2022-09-04T14:38:40.950445Z",
"updated_at": "2022-09-04T14:38:40.950466Z",
"structure_string": "Sc1 Pd1 O1\n1.0\n4.195677 -0.000000 -0.000000\n-2.097838 3.633563 0.000000\n-0.000000 0.000000 3.173738\nSc Pd O\n1 1 1\ndirect\n0.666666 0.333334 0.000000 Sc\n0.333333 0.666667 0.000000 Pd\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"O"
],
"chemical_system": "O-Pd-Sc",
"density": 5.744267865166988,
"density_atomic": 0.06200339090474973,
"volume": 48.384450531240006,
"volume_molar": 9.71259905647947,
"formula_full": "Sc1 Pd1 O1",
"formula_reduced": "ScPdO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.72534815,
"spacegroup": 187
},
{
"id": "jvasp-111685",
"created_at": "2022-09-04T14:38:40.950053Z",
"updated_at": "2022-09-04T14:38:40.950086Z",
"structure_string": "Lu10 Pt6\n1.0\n8.258583 0.000000 -0.000000\n-4.129292 7.152143 0.000000\n0.000000 -0.000000 5.970473\nLu Pt\n10 6\ndirect\n0.666667 0.333333 0.500000 Lu\n0.333333 0.666667 0.500000 Lu\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.000000 Lu\n0.754592 0.754592 0.250000 Lu\n0.245408 -0.000000 0.250000 Lu\n0.000000 0.245408 0.250000 Lu\n0.245408 0.245408 0.750000 Lu\n0.754592 -0.000000 0.750000 Lu\n0.000000 0.754592 0.750000 Lu\n0.394098 0.394098 0.250000 Pt\n0.605902 -0.000000 0.250000 Pt\n0.000000 0.605902 0.250000 Pt\n0.605902 0.605902 0.750000 Pt\n0.394098 -0.000000 0.750000 Pt\n0.000000 0.394098 0.750000 Pt\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Lu",
"Pt"
],
"chemical_system": "Lu-Pt",
"density": 13.750147647994709,
"density_atomic": 0.04537007706287245,
"volume": 352.6553410484116,
"volume_molar": 13.273375647245878,
"formula_full": "Lu10 Pt6",
"formula_reduced": "Lu5Pt3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.97794036875,
"spacegroup": 193
},
{
"id": "jvasp-112467",
"created_at": "2022-09-04T14:38:40.948138Z",
"updated_at": "2022-09-04T14:38:40.948178Z",
"structure_string": "Na2 Al2 F8\n1.0\n7.706507 0.004969 0.000000\n-6.844009 3.542573 0.000000\n-0.000000 -0.000000 5.283811\nNa Al F\n2 2 8\ndirect\n0.694428 0.305573 0.750000 Na\n0.305572 0.694427 0.250000 Na\n0.914461 0.085540 0.750000 Al\n0.085539 0.914460 0.250000 Al\n0.829246 0.170755 0.511944 F\n0.170754 0.829245 0.488056 F\n0.829246 0.170755 0.988056 F\n0.170754 0.829245 0.011944 F\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.418765 0.581235 0.750000 F\n0.581235 0.418765 0.250000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Al",
"F"
],
"chemical_system": "Al-F-Na",
"density": 2.8964390851492903,
"density_atomic": 0.08308391154648803,
"volume": 144.43229473236377,
"volume_molar": 7.248263409734177,
"formula_full": "Na2 Al2 F8",
"formula_reduced": "NaAlF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-115864",
"created_at": "2022-09-04T14:38:40.945243Z",
"updated_at": "2022-09-04T14:38:40.945267Z",
"structure_string": "Li1 I1 Cl1\n1.0\n3.477735 0.000000 0.000000\n0.000000 3.477735 0.000000\n0.000000 -0.000000 8.357025\nLi I Cl\n1 1 1\ndirect\n0.000000 0.000000 0.005255 Li\n0.000000 0.000000 0.692888 I\n0.000000 0.000000 0.255625 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"I",
"Cl"
],
"chemical_system": "Cl-I-Li",
"density": 2.781361617621336,
"density_atomic": 0.029680866882433144,
"volume": 101.07521494850859,
"volume_molar": 20.289639058905827,
"formula_full": "Li1 I1 Cl1",
"formula_reduced": "LiICl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-111794",
"created_at": "2022-09-04T14:38:40.943989Z",
"updated_at": "2022-09-04T14:38:40.944020Z",
"structure_string": "Nd2 Co19 Si3\n1.0\n6.882893 0.014014 3.119681\n-0.046711 6.882748 3.119681\n0.002742 0.002766 6.305000\nNd Co Si\n2 19 3\ndirect\n0.747289 0.747289 0.126704 Nd\n0.252711 0.252712 0.873296 Nd\n0.500000 0.500000 -0.000000 Co\n0.921485 0.330898 0.308859 Co\n0.330898 0.921486 0.308859 Co\n0.418422 0.669185 0.641841 Co\n0.669185 0.418423 0.641841 Co\n0.167745 0.581115 0.061052 Co\n0.581115 0.167744 0.061052 Co\n0.832071 0.079950 0.228762 Co\n0.079950 0.832072 0.228762 Co\n0.078514 0.669102 0.691141 Co\n0.669101 0.078514 0.691141 Co\n0.581577 0.330815 0.358159 Co\n0.330815 0.581578 0.358158 Co\n0.832255 0.418885 0.938948 Co\n0.418884 0.832256 0.938948 Co\n0.167929 0.920050 0.771237 Co\n0.920049 0.167929 0.771238 Co\n0.746597 0.746597 0.626461 Co\n0.253403 0.253403 0.373539 Co\n-0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n-0.000000 0.000000 0.500000 Si\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Co",
"Si"
],
"chemical_system": "Co-Nd-Si",
"density": 8.300485334603534,
"density_atomic": 0.0803821595932057,
"volume": 298.5737148822336,
"volume_molar": 7.491887242737157,
"formula_full": "Nd2 Co19 Si3",
"formula_reduced": "Nd2Co19Si3",
"formula_anonymous": "A2B3C19",
"energy_above_hull": 3.982792329166667,
"spacegroup": 12
}
]
}