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=4569",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4567",
"results": [
{
"id": "jvasp-117470",
"created_at": "2022-09-04T14:38:51.180205Z",
"updated_at": "2022-09-04T14:38:51.180235Z",
"structure_string": "B2 H2\n1.0\n2.811175 -0.093941 0.295229\n-0.164185 -4.779819 0.033314\n0.202687 -0.020179 -1.934288\nB H\n2 2\ndirect\n0.234914 0.143450 0.055558 B\n0.734963 0.311615 0.555623 B\n0.735028 0.557422 0.555703 H\n0.234861 0.897649 0.055458 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.4919501915625974,
"density_atomic": 0.15203959176717807,
"volume": 26.308936728304936,
"volume_molar": 3.960903005594655,
"formula_full": "B2 H2",
"formula_reduced": "BH",
"formula_anonymous": "AB",
"energy_above_hull": 2.446581291666667,
"spacegroup": 59
},
{
"id": "jvasp-102005",
"created_at": "2022-09-04T14:37:00.008644Z",
"updated_at": "2022-09-04T14:37:00.008671Z",
"structure_string": "H24 C16 O8\n1.0\n5.073944 -0.057272 0.587773\n0.834787 5.786277 0.908845\n0.263129 -0.055492 13.061668\nH C O\n24 16 8\ndirect\n0.920553 0.268231 0.902384 H\n0.909297 0.825909 0.523368 H\n0.639755 0.613125 0.940226 H\n0.360245 0.386877 0.059774 H\n0.721930 0.969618 0.359938 H\n0.278070 0.030383 0.640062 H\n0.501620 0.541245 0.315357 H\n0.498380 0.458756 0.684643 H\n0.715585 0.544024 0.410291 H\n0.284415 0.455977 0.589709 H\n0.353356 0.928459 0.198962 H\n0.646644 0.071542 0.801039 H\n0.090703 0.174092 0.476633 H\n0.563818 0.810833 0.769075 H\n0.436182 0.189168 0.230925 H\n0.268630 0.923201 0.927567 H\n0.731370 0.076801 0.072433 H\n0.083453 0.928461 0.822397 H\n0.079447 0.731770 0.097616 H\n0.918923 0.355146 0.719141 H\n0.081077 0.644855 0.280859 H\n0.038305 0.592416 0.755436 H\n-0.038304 0.407585 0.244565 H\n0.916547 0.071541 0.177603 H\n0.320112 0.928234 0.411020 C\n0.679888 0.071767 0.588980 C\n0.566557 0.883316 0.335684 C\n0.433443 0.116685 0.664316 C\n0.664446 0.626881 0.332879 C\n0.335554 0.373120 0.667121 C\n0.510189 0.006760 0.226385 C\n0.489810 0.993241 0.773615 C\n0.090708 0.407338 0.748208 C\n0.764982 -0.013539 0.150707 C\n0.235017 0.013539 0.849293 C\n0.881289 0.731671 0.143132 C\n0.118711 0.268330 0.856869 C\n0.711242 0.633230 0.079953 C\n0.288757 0.366772 0.920047 C\n0.909292 0.592663 0.251792 C\n0.825319 0.221618 0.550635 O\n0.467760 0.485144 0.880388 O\n0.532240 0.514857 0.119612 O\n0.239475 0.309956 0.022523 O\n0.760524 0.690046 0.977477 O\n0.733068 0.854129 0.571021 O\n0.266932 0.145872 0.428979 O\n0.174680 0.778383 0.449365 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.491341971431016,
"density_atomic": 0.1251873698923184,
"volume": 383.42526120077326,
"volume_molar": 4.810501862272549,
"formula_full": "H24 C16 O8",
"formula_reduced": "H3C2O",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.03115225,
"spacegroup": 2
},
{
"id": "jvasp-120215",
"created_at": "2022-09-04T14:38:53.272415Z",
"updated_at": "2022-09-04T14:38:53.272443Z",
"structure_string": "H2 Cl1\n1.0\n6.457903 -0.391929 -0.264027\n3.095362 -2.256834 -0.218095\n2.245268 0.002369 -3.210226\nH Cl\n2 1\ndirect\n0.586059 0.758249 0.002745 H\n0.365875 0.198667 0.002741 H\n0.975962 0.978461 0.002712 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 1.4903327439273828,
"density_atomic": 0.07185958240227061,
"volume": 41.74808563743068,
"volume_molar": 8.38042827230473,
"formula_full": "H2 Cl1",
"formula_reduced": "H2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.604691355833333,
"spacegroup": 71
},
{
"id": "jvasp-93192",
"created_at": "2022-09-04T14:35:44.815165Z",
"updated_at": "2022-09-04T14:35:44.815195Z",
"structure_string": "K1 Li1 Mg6\n1.0\n7.157030 0.450020 0.000000\n-3.188786 5.523139 0.000000\n0.000000 0.000000 5.219719\nK Li Mg\n1 1 6\ndirect\n0.116651 0.308326 0.250000 K\n0.213630 0.856814 0.250000 Li\n0.639859 0.327901 0.250000 Mg\n0.639859 0.811957 0.250000 Mg\n0.362999 0.177300 0.750000 Mg\n0.362999 0.685699 0.750000 Mg\n0.779437 0.139719 0.750000 Mg\n0.884567 0.692283 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Li",
"Mg"
],
"chemical_system": "K-Li-Mg",
"density": 1.4900541232251834,
"density_atomic": 0.03741428429949523,
"volume": 213.8220775776788,
"volume_molar": 16.09583310960527,
"formula_full": "K1 Li1 Mg6",
"formula_reduced": "KLiMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-104135",
"created_at": "2022-09-04T14:37:02.239032Z",
"updated_at": "2022-09-04T14:37:02.239063Z",
"structure_string": "H12 C17 S1\n1.0\n3.749427 -0.195753 0.536067\n0.734272 5.325045 1.317650\n1.164302 0.111216 13.994081\nH C S\n12 17 1\ndirect\n0.528209 0.778750 0.957235 H\n-0.159221 0.082800 0.037168 H\n0.414506 0.221460 0.020068 H\n0.758865 0.030954 0.790114 H\n0.324020 0.700075 0.115581 H\n0.577940 0.577311 0.582394 H\n0.109555 0.455183 0.476869 H\n0.730464 0.796552 0.408034 H\n0.442358 0.397144 0.718620 H\n0.206672 0.633314 0.309458 H\n0.956995 0.235423 0.652657 H\n0.203267 0.145905 0.884684 H\n0.426909 0.143415 0.426678 C\n0.214055 0.262025 0.499471 C\n0.865562 0.837777 0.809887 C\n0.424376 0.532739 0.164437 C\n0.126232 0.135298 0.599894 C\n0.734884 0.694159 0.906040 C\n0.355848 0.494914 0.270571 C\n0.120514 0.737720 0.738243 C\n0.242046 0.485786 0.769517 C\n0.484477 0.262921 0.319700 C\n0.244089 0.883177 0.633906 C\n0.849722 0.441403 0.935076 C\n0.560974 0.895936 0.461326 C\n0.679006 0.262744 0.031049 C\n0.473044 0.770438 0.561537 C\n0.108843 0.342446 0.864821 C\n0.609430 0.330875 0.131032 C\n0.701605 0.096028 0.231571 S\n",
"nsites": 30,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4872086542016982,
"density_atomic": 0.10819160713884195,
"volume": 277.28583384015263,
"volume_molar": 5.5661810737979005,
"formula_full": "H12 C17 S1",
"formula_reduced": "H12C17S",
"formula_anonymous": "AB12C17",
"energy_above_hull": 5.804564,
"spacegroup": 1
},
{
"id": "jvasp-68683",
"created_at": "2022-09-04T14:35:44.176726Z",
"updated_at": "2022-09-04T14:35:44.176745Z",
"structure_string": "Na2 Be1 Cl1\n1.0\n-1.980956 1.980956 6.435692\n1.980956 -1.980956 6.435692\n1.980956 1.980956 -6.435692\nNa Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750001 0.500001 Na\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Na",
"density": 1.4867139531059272,
"density_atomic": 0.03959634412321288,
"volume": 101.0194271358261,
"volume_molar": 15.20883024266271,
"formula_full": "Na2 Be1 Cl1",
"formula_reduced": "Na2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.074827041875,
"spacegroup": 119
},
{
"id": "jvasp-78446",
"created_at": "2022-09-04T14:37:15.269866Z",
"updated_at": "2022-09-04T14:37:15.269881Z",
"structure_string": "B1 N1\n1.0\n-2.298536 2.298536 -1.312045\n2.298536 -2.298536 -1.312045\n-2.298536 -2.298536 1.312045\nB N\n1 1\ndirect\n0.595001 0.595001 0.000000 B\n0.095001 0.095001 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 1.4862753867484553,
"density_atomic": 0.07213045197754632,
"volume": 27.727540105011197,
"volume_molar": 8.34895747204613,
"formula_full": "B1 N1",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.9149029166666667,
"spacegroup": 139
},
{
"id": "jvasp-36572",
"created_at": "2022-09-04T14:37:29.723114Z",
"updated_at": "2022-09-04T14:37:29.723138Z",
"structure_string": "Li1 Mg2 Al1\n1.0\n-10.491078 0.000001 -6.057028\n-6.719479 0.261005 -0.475573\n-5.859891 2.692287 -1.964425\nLi Mg Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735302 -0.000000 -0.000000 Mg\n0.264699 -0.000000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Al"
],
"chemical_system": "Al-Li-Mg",
"density": 1.4854796239876882,
"density_atomic": 0.043356317625044896,
"volume": 92.25875764157122,
"volume_molar": 13.889880621506688,
"formula_full": "Li1 Mg2 Al1",
"formula_reduced": "LiMg2Al",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4781504666666668,
"spacegroup": 71
},
{
"id": "jvasp-86988",
"created_at": "2022-09-04T14:35:54.817349Z",
"updated_at": "2022-09-04T14:35:54.817376Z",
"structure_string": "Li6 P2\n1.0\n4.215268 -0.000000 0.000000\n-2.107633 3.650529 -0.000000\n0.000000 -0.000000 7.525481\nLi P\n6 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333334 0.666667 0.584014 Li\n0.666668 0.333333 0.084014 Li\n0.666668 0.333333 0.415986 Li\n0.333334 0.666667 0.915986 Li\n0.333334 0.666667 0.250000 P\n0.666668 0.333333 0.750000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"P"
],
"chemical_system": "Li-P",
"density": 1.4854787597785115,
"density_atomic": 0.06908356310356147,
"volume": 115.80178613554423,
"volume_molar": 8.717183204595798,
"formula_full": "Li6 P2",
"formula_reduced": "Li3P",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0657488750000002,
"spacegroup": 194
},
{
"id": "jvasp-86319",
"created_at": "2022-09-04T14:36:04.573136Z",
"updated_at": "2022-09-04T14:36:04.573161Z",
"structure_string": "Li6 P2\n1.0\n4.215268 -0.000000 0.000000\n-2.107633 3.650529 -0.000000\n0.000000 -0.000000 7.525481\nLi P\n6 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333334 0.666667 0.584014 Li\n0.666668 0.333333 0.084014 Li\n0.666668 0.333333 0.415986 Li\n0.333334 0.666667 0.915986 Li\n0.333334 0.666667 0.250000 P\n0.666668 0.333333 0.750000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"P"
],
"chemical_system": "Li-P",
"density": 1.4854787597785115,
"density_atomic": 0.06908356310356147,
"volume": 115.80178613554423,
"volume_molar": 8.717183204595798,
"formula_full": "Li6 P2",
"formula_reduced": "Li3P",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0657488750000002,
"spacegroup": 194
},
{
"id": "jvasp-78963",
"created_at": "2022-09-04T14:37:12.191316Z",
"updated_at": "2022-09-04T14:37:12.191342Z",
"structure_string": "Li1 Mg2\n1.0\n3.446448 -0.000000 -0.000000\n-1.723225 2.478902 4.915037\n0.000000 -2.437158 2.437881\nLi Mg\n1 2\ndirect\n0.694915 0.389828 0.213403 Li\n0.036426 0.072851 0.872014 Mg\n0.353376 0.706754 0.554967 Mg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4851369663681926,
"density_atomic": 0.048299961454011955,
"volume": 62.11185081082109,
"volume_molar": 12.468210281562826,
"formula_full": "Li1 Mg2",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2668404761904762,
"spacegroup": 139
},
{
"id": "jvasp-103786",
"created_at": "2022-09-04T14:37:03.333687Z",
"updated_at": "2022-09-04T14:37:03.333699Z",
"structure_string": "H8 C12 S2\n1.0\n3.953421 0.005556 0.598814\n0.139636 6.237265 0.388710\n-0.077077 0.020574 9.806654\nH C S\n8 12 2\ndirect\n0.317535 0.269624 0.150915 H\n0.688483 0.812180 0.030319 H\n0.241647 0.671392 0.605041 H\n0.159346 0.862554 0.836453 H\n0.254072 0.799966 0.083091 H\n0.831403 0.673626 0.484442 H\n0.778039 0.839313 0.256632 H\n0.385078 0.098472 0.380877 H\n0.476852 0.259593 0.351936 C\n0.440588 0.356642 0.222249 C\n0.609190 0.373260 0.450276 C\n0.544673 0.567320 0.186156 C\n0.720604 0.582340 0.412289 C\n0.691603 0.675787 0.282433 C\n0.439953 0.596922 0.925586 C\n0.481408 0.697233 0.056678 C\n0.523876 0.415509 0.702959 C\n0.336452 0.606860 0.697884 C\n0.289275 0.707938 0.822956 C\n0.638345 0.280995 0.591577 C\n0.628520 0.359066 0.869381 S\n0.817648 0.041679 0.618071 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4839264672611578,
"density_atomic": 0.09088358196032009,
"volume": 242.06792388096272,
"volume_molar": 6.626214141327832,
"formula_full": "H8 C12 S2",
"formula_reduced": "H4C6S",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.329367272727273,
"spacegroup": 1
}
]
}