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=-nelements&page=925",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=923",
"results": [
{
"id": "jvasp-114549",
"created_at": "2022-09-04T14:38:41.777371Z",
"updated_at": "2022-09-04T14:38:41.777390Z",
"structure_string": "Ba1 Zn1 Cl1\n1.0\n-0.000000 3.788895 3.788895\n3.788895 0.000000 3.788895\n3.788895 3.788895 -0.000000\nBa Zn Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Cl"
],
"chemical_system": "Ba-Cl-Zn",
"density": 3.635826015385496,
"density_atomic": 0.02757741463848623,
"volume": 108.78467178041005,
"volume_molar": 21.837220199734308,
"formula_full": "Ba1 Zn1 Cl1",
"formula_reduced": "BaZnCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-116103",
"created_at": "2022-09-04T14:38:41.777876Z",
"updated_at": "2022-09-04T14:38:41.777913Z",
"structure_string": "Al1 Cd1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nAl Cd O\n1 1 1\ndirect\n-0.016502 -0.058384 0.000000 Al\n0.339868 0.001167 0.000000 Cd\n0.046033 0.261115 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"Cd",
"O"
],
"chemical_system": "Al-Cd-O",
"density": 1.3435972564647338,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Al1 Cd1 O1",
"formula_reduced": "AlCdO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8878553499999998,
"spacegroup": 6
},
{
"id": "jvasp-114698",
"created_at": "2022-09-04T14:38:41.780645Z",
"updated_at": "2022-09-04T14:38:41.780681Z",
"structure_string": "Hf1 Sn1 C1\n1.0\n3.140579 1.486029 0.000000\n0.651926 6.736423 0.000000\n0.000000 0.000000 3.230053\nHf Sn C\n1 1 1\ndirect\n0.004011 -0.150009 0.000000 Hf\n-0.066625 0.420488 0.000000 Sn\n0.299589 0.054618 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Sn",
"C"
],
"chemical_system": "C-Hf-Sn",
"density": 7.874295136927477,
"density_atomic": 0.04600757384859074,
"volume": 65.20665510145984,
"volume_molar": 13.089455183658776,
"formula_full": "Hf1 Sn1 C1",
"formula_reduced": "HfSnC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.7303915666666665,
"spacegroup": 25
},
{
"id": "jvasp-54556",
"created_at": "2022-09-04T14:38:35.928142Z",
"updated_at": "2022-09-04T14:38:35.928169Z",
"structure_string": "K6 Mo4 Cl18\n1.0\n3.503182 -6.067689 -0.000000\n3.503182 6.067689 0.000000\n-0.000000 0.000000 16.954665\nK Mo Cl\n6 4 18\ndirect\n0.666667 0.333333 0.433620 K\n0.333333 0.666667 0.566380 K\n0.333333 0.666667 0.933620 K\n0.666667 0.333333 0.066380 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.666667 0.333333 0.830964 Mo\n0.333333 0.666667 0.169036 Mo\n0.333333 0.666667 0.330964 Mo\n0.666667 0.333333 0.669037 Mo\n0.785154 0.128166 0.589272 Cl\n0.656987 0.785154 0.089272 Cl\n0.871833 0.656987 0.589272 Cl\n0.214845 0.871833 0.410728 Cl\n0.006177 0.459528 0.750000 Cl\n0.540471 0.546649 0.750000 Cl\n0.453351 -0.006178 0.750000 Cl\n0.459528 0.453350 0.250000 Cl\n0.343013 0.214845 0.910728 Cl\n-0.006178 0.540472 0.250000 Cl\n0.214845 0.871833 0.089272 Cl\n0.128166 0.343013 0.089272 Cl\n0.656987 0.785154 0.410728 Cl\n0.128166 0.343013 0.410728 Cl\n0.785154 0.128166 0.910728 Cl\n0.546649 0.006177 0.250000 Cl\n0.343013 0.214845 0.589272 Cl\n0.871833 0.656987 0.910728 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Mo",
"Cl"
],
"chemical_system": "Cl-K-Mo",
"density": 2.8947274630643536,
"density_atomic": 0.03884658168261765,
"volume": 720.7841407711022,
"volume_molar": 15.502369833211546,
"formula_full": "K6 Mo4 Cl18",
"formula_reduced": "K3Mo2Cl9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.787183743392857,
"spacegroup": 176
},
{
"id": "jvasp-116114",
"created_at": "2022-09-04T14:38:41.802158Z",
"updated_at": "2022-09-04T14:38:41.802181Z",
"structure_string": "Al1 Cr1 O2\n1.0\n1.478818 0.853796 5.916698\n-1.478818 0.853796 5.916698\n-0.000000 -1.707592 5.916698\nAl Cr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500002 0.500002 0.499999 Cr\n0.891669 0.891669 0.891663 O\n0.108335 0.108335 0.108334 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 4.1113115100650885,
"density_atomic": 0.08924019167569956,
"volume": 44.82285307651591,
"volume_molar": 6.748238262289447,
"formula_full": "Al1 Cr1 O2",
"formula_reduced": "AlCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3343967999999995,
"spacegroup": 166
},
{
"id": "jvasp-116192",
"created_at": "2022-09-04T14:38:42.013540Z",
"updated_at": "2022-09-04T14:38:42.013560Z",
"structure_string": "Na1 I1 O1\n1.0\n4.528323 -1.614993 0.000000\n-2.963631 5.703347 0.000000\n0.000000 0.000000 4.350505\nNa I O\n1 1 1\ndirect\n0.121355 0.332506 0.000000 Na\n0.152454 -0.160392 0.000000 I\n0.726191 0.827886 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"I",
"O"
],
"chemical_system": "I-Na-O",
"density": 3.00944295701372,
"density_atomic": 0.032773931263273944,
"volume": 91.53616561592544,
"volume_molar": 18.37478913232584,
"formula_full": "Na1 I1 O1",
"formula_reduced": "NaIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3813902541666666,
"spacegroup": 25
},
{
"id": "jvasp-115300",
"created_at": "2022-09-04T14:38:42.025656Z",
"updated_at": "2022-09-04T14:38:42.025677Z",
"structure_string": "Y1 Pb1 O3\n1.0\n4.086036 0.000000 0.000000\n0.000000 4.086036 0.000000\n0.000000 0.000000 5.023165\nY Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.575232 Y\n0.000000 0.000000 -0.015056 Pb\n0.000000 0.500000 0.728679 O\n0.500000 0.000000 0.728679 O\n0.500000 0.500000 0.142666 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Pb",
"O"
],
"chemical_system": "O-Pb-Y",
"density": 6.813292913263879,
"density_atomic": 0.05961947988837222,
"volume": 83.86520662980769,
"volume_molar": 10.100961583823741,
"formula_full": "Y1 Pb1 O3",
"formula_reduced": "YPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.780779354,
"spacegroup": 99
},
{
"id": "jvasp-111760",
"created_at": "2022-09-04T14:38:42.026291Z",
"updated_at": "2022-09-04T14:38:42.026322Z",
"structure_string": "Y4 W2 O12\n1.0\n5.319529 0.000000 0.000000\n0.000000 5.399921 0.000000\n0.000000 0.000000 8.136127\nY W O\n4 2 12\ndirect\n0.000000 0.500000 0.004709 Y\n0.500000 0.000000 0.995291 Y\n0.500000 0.500000 0.674754 Y\n0.000000 0.000000 0.325246 Y\n0.500000 0.500000 0.277786 W\n0.000000 0.000000 0.722214 W\n0.734419 0.500000 0.446060 O\n0.265581 0.500000 0.446060 O\n0.766105 0.755827 0.829120 O\n0.233895 0.755827 0.829120 O\n0.766105 0.244173 0.829120 O\n0.266105 0.744173 0.170880 O\n0.733895 0.744173 0.170880 O\n0.234419 0.000000 0.553941 O\n0.733895 0.255827 0.170880 O\n0.266105 0.255827 0.170880 O\n0.233895 0.244173 0.829120 O\n0.765581 0.000000 0.553941 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"W",
"O"
],
"chemical_system": "O-W-Y",
"density": 6.503279964890076,
"density_atomic": 0.0770183480001578,
"volume": 233.7105438818698,
"volume_molar": 7.819098846404317,
"formula_full": "Y4 W2 O12",
"formula_reduced": "Y2WO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.3506268777777777,
"spacegroup": 59
},
{
"id": "jvasp-115309",
"created_at": "2022-09-04T14:38:42.047700Z",
"updated_at": "2022-09-04T14:38:42.047717Z",
"structure_string": "Sr1 S1 O1\n1.0\n4.717598 0.000000 -0.000000\n-2.358799 4.085560 -0.000000\n0.000000 0.000000 4.716926\nSr S O\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Sr\n0.333334 0.666667 0.000000 S\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"S",
"O"
],
"chemical_system": "O-S-Sr",
"density": 2.4782632080638733,
"density_atomic": 0.03299815575949936,
"volume": 90.91417174538228,
"volume_molar": 18.249931310983566,
"formula_full": "Sr1 S1 O1",
"formula_reduced": "SrSO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8888532700000001,
"spacegroup": 187
},
{
"id": "jvasp-114641",
"created_at": "2022-09-04T14:38:42.055564Z",
"updated_at": "2022-09-04T14:38:42.055587Z",
"structure_string": "Be1 Sb1 P1\n1.0\n4.836138 -0.000000 0.000000\n-2.418069 4.188218 -0.000000\n0.000000 0.000000 2.830273\nBe Sb P\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666666 0.333333 0.000000 Sb\n0.333332 0.666666 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Sb",
"P"
],
"chemical_system": "Be-P-Sb",
"density": 4.6851791733380965,
"density_atomic": 0.0523317143780982,
"volume": 57.32661418895835,
"volume_molar": 11.507631331337349,
"formula_full": "Be1 Sb1 P1",
"formula_reduced": "BeSbP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1397792333333334,
"spacegroup": 187
},
{
"id": "jvasp-117577",
"created_at": "2022-09-04T14:38:35.974013Z",
"updated_at": "2022-09-04T14:38:35.974043Z",
"structure_string": "Ba1 I1 F1\n1.0\n5.581436 -0.000000 -0.000000\n-2.790718 4.833665 0.000000\n-0.000000 0.000000 5.179058\nBa I F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.000000 I\n0.333334 0.666667 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"I",
"F"
],
"chemical_system": "Ba-F-I",
"density": 3.3660059814469974,
"density_atomic": 0.021470787947534382,
"volume": 139.72472772451314,
"volume_molar": 28.04806593365642,
"formula_full": "Ba1 I1 F1",
"formula_reduced": "BaIF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3307233333333335,
"spacegroup": 187
},
{
"id": "jvasp-60071",
"created_at": "2022-09-04T14:38:36.002234Z",
"updated_at": "2022-09-04T14:38:36.002271Z",
"structure_string": "Y6 Sn6 O18\n1.0\n3.197421 -5.538095 -0.000000\n3.197421 5.538095 -0.000000\n0.000000 -0.000000 12.551201\nY Sn O\n6 6 18\ndirect\n0.666667 0.333333 0.764041 Y\n0.333333 0.666667 0.264041 Y\n0.666667 0.333333 0.264041 Y\n0.333333 0.666667 0.764041 Y\n0.000000 0.000000 0.231207 Y\n0.000000 0.000000 0.731207 Y\n0.333134 0.333134 0.999697 Sn\n0.333134 0.000000 0.499697 Sn\n0.000000 0.333134 0.499697 Sn\n0.666865 0.000000 0.999697 Sn\n0.666865 0.666865 0.499697 Sn\n0.000000 0.666865 0.999697 Sn\n0.000000 0.636016 0.171501 O\n0.000000 0.694187 0.825834 O\n0.000000 0.305813 0.325834 O\n0.305813 0.000000 0.325834 O\n0.305813 0.305813 0.825834 O\n0.636016 0.636016 0.671501 O\n0.636016 0.000000 0.171501 O\n0.000000 0.363983 0.671501 O\n0.666667 0.333333 0.470831 O\n0.363983 0.363983 0.171501 O\n0.000000 0.000000 0.532952 O\n0.000000 0.000000 0.032952 O\n0.333333 0.666667 0.970831 O\n0.694187 0.000000 0.825834 O\n0.333333 0.666667 0.470831 O\n0.666667 0.333333 0.970831 O\n0.363983 0.000000 0.671501 O\n0.694187 0.694187 0.325834 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Y",
"Sn",
"O"
],
"chemical_system": "O-Sn-Y",
"density": 5.729405553767833,
"density_atomic": 0.06749098245546213,
"volume": 444.5038271564242,
"volume_molar": 8.92288205164899,
"formula_full": "Y6 Sn6 O18",
"formula_reduced": "YSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7264175299999998,
"spacegroup": 185
}
]
}