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=energy_above_hull&page=4358",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4356",
"results": [
{
"id": "jvasp-75706",
"created_at": "2022-09-04T14:35:53.866100Z",
"updated_at": "2022-09-04T14:35:53.866138Z",
"structure_string": "Nb1 As1 Ir2\n1.0\n0.000000 3.172168 3.172168\n3.172168 -0.000000 3.172168\n3.172168 3.172168 -0.000000\nNb As Ir\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Nb\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"As",
"Ir"
],
"chemical_system": "As-Ir-Nb",
"density": 14.364671811119972,
"density_atomic": 0.06265582551792774,
"volume": 63.84083150984066,
"volume_molar": 9.611461839692595,
"formula_full": "Nb1 As1 Ir2",
"formula_reduced": "NbAsIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.257148337499999,
"spacegroup": 216
},
{
"id": "jvasp-92328",
"created_at": "2022-09-04T14:36:07.670550Z",
"updated_at": "2022-09-04T14:36:07.670562Z",
"structure_string": "H2 C2 S1\n1.0\n2.844779 -0.000000 0.000000\n-1.422389 2.463651 0.000000\n0.000000 -0.000000 5.725831\nH C S\n2 2 1\ndirect\n0.666668 0.333333 0.640948 H\n0.333333 0.666665 0.359052 H\n0.333333 0.666665 0.166993 C\n0.666668 0.333333 0.833005 C\n0.000000 0.000000 0.000000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 2.404230086967781,
"density_atomic": 0.1245959023307736,
"volume": 40.1297306449625,
"volume_molar": 4.833337732096995,
"formula_full": "H2 C2 S1",
"formula_reduced": "H2C2S",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.257386,
"spacegroup": 164
},
{
"id": "jvasp-16049",
"created_at": "2022-09-04T14:35:41.777485Z",
"updated_at": "2022-09-04T14:35:41.777513Z",
"structure_string": "Th1 Si2 Tc2\n1.0\n3.993326 -0.000000 -1.533110\n-0.588589 3.949711 -1.533110\n-0.066704 -0.077381 5.793562\nTh Si Tc\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630678 0.630677 0.261354 Si\n0.369324 0.369323 0.738646 Si\n0.750001 0.250000 0.500000 Tc\n0.250001 0.750000 0.500000 Tc\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Si",
"Tc"
],
"chemical_system": "Si-Tc-Th",
"density": 8.891250852692274,
"density_atomic": 0.05529054349570275,
"volume": 90.43137730032635,
"volume_molar": 10.891809664464681,
"formula_full": "Th1 Si2 Tc2",
"formula_reduced": "Th(SiTc)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.257391159999999,
"spacegroup": 139
},
{
"id": "jvasp-79439",
"created_at": "2022-09-04T14:36:50.183218Z",
"updated_at": "2022-09-04T14:36:50.183243Z",
"structure_string": "W2 N2\n1.0\n2.844628 -0.002647 0.003605\n0.003226 3.463673 0.031169\n-0.005272 -0.037480 4.175060\nW N\n2 2\ndirect\n0.628719 0.202566 0.001863 W\n0.128718 0.549797 0.501869 W\n0.635585 0.040339 0.501864 N\n0.135563 0.712015 0.001867 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 15.971535251088902,
"density_atomic": 0.09722965656601606,
"volume": 41.13971129049621,
"volume_molar": 6.193728305428236,
"formula_full": "W2 N2",
"formula_reduced": "WN",
"formula_anonymous": "AB",
"energy_above_hull": 4.257696624999999,
"spacegroup": 59
},
{
"id": "jvasp-103814",
"created_at": "2022-09-04T14:36:52.971144Z",
"updated_at": "2022-09-04T14:36:52.971175Z",
"structure_string": "H6 C4 S2 N2 O2\n1.0\n4.167958 0.067750 0.135451\n1.943747 6.206531 0.178332\n-0.101585 -0.242082 6.816741\nH C S N O\n6 4 2 2 2\ndirect\n0.895900 0.967169 0.157218 H\n0.895902 0.467169 0.657214 H\n0.657599 0.869176 0.332894 H\n0.657601 0.369179 0.832893 H\n0.171987 0.777864 0.537813 H\n0.171994 0.277865 0.037810 H\n0.915717 0.852149 0.276744 C\n0.915719 0.352151 0.776743 C\n0.080203 0.124435 0.699983 C\n0.080203 0.624434 0.199982 C\n0.364186 0.933689 0.817170 S\n0.364186 0.433688 0.317168 S\n0.138099 0.890562 0.427996 N\n0.138102 0.390566 0.927992 N\n0.960141 0.098782 0.523448 O\n0.960141 0.598783 0.023447 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.685031646154789,
"density_atomic": 0.0910944057089019,
"volume": 175.64196039797483,
"volume_molar": 6.610878805493437,
"formula_full": "H6 C4 S2 N2 O2",
"formula_reduced": "H3C2SNO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.25771459375,
"spacegroup": 1
},
{
"id": "jvasp-97896",
"created_at": "2022-09-04T14:35:55.492893Z",
"updated_at": "2022-09-04T14:35:55.492920Z",
"structure_string": "Ga2 H26 C8 N4\n1.0\n5.811723 -0.018060 1.734694\n1.296025 6.647275 1.038347\n-0.013930 0.069511 8.551755\nGa H C N\n2 26 8 4\ndirect\n0.443774 0.911468 0.872499 Ga\n0.556226 0.088533 0.127501 Ga\n0.130060 0.868043 0.202920 H\n0.349092 0.155600 0.547304 H\n0.181618 0.925110 0.877064 H\n0.655140 0.587169 0.531405 H\n0.314443 0.485204 0.937249 H\n0.001919 0.405069 0.364700 H\n0.134536 0.300446 0.969618 H\n0.604587 0.230567 0.408770 H\n0.030771 0.227102 0.226110 H\n0.685557 0.514797 0.062751 H\n0.865464 0.699555 0.030383 H\n0.699907 0.252318 0.657587 H\n0.986968 0.854314 0.563474 H\n0.869940 0.131958 0.797080 H\n0.650908 0.844401 0.452696 H\n0.281652 0.384849 0.767074 H\n0.013032 0.145687 0.436526 H\n0.718348 0.615152 0.232926 H\n0.969229 0.772898 0.773890 H\n0.395413 0.769434 0.591230 H\n0.265182 0.608269 0.194749 H\n0.344860 0.412831 0.468596 H\n0.300093 0.747683 0.342414 H\n0.734818 0.391732 0.805252 H\n0.818382 0.074891 0.122937 H\n0.998081 0.594932 0.635300 H\n0.286267 0.756820 0.215811 C\n0.587241 0.743344 0.564176 C\n0.296844 0.347523 0.894155 C\n0.703156 0.652478 0.105846 C\n0.913209 0.749135 0.668366 C\n0.713733 0.243181 0.784190 C\n0.086791 0.250866 0.331634 C\n0.412759 0.256657 0.435824 C\n0.499052 0.815185 0.097824 N\n0.661093 0.775724 0.703662 N\n0.338907 0.224277 0.296339 N\n0.500948 0.184816 0.902176 N\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ga",
"H",
"C",
"N"
],
"chemical_system": "C-Ga-H-N",
"density": 1.5966970255328279,
"density_atomic": 0.12103962467534078,
"volume": 330.4702910909566,
"volume_molar": 4.975346524869786,
"formula_full": "Ga2 H26 C8 N4",
"formula_reduced": "GaH13(C2N)2",
"formula_anonymous": "AB2C4D13",
"energy_above_hull": 4.25804994125,
"spacegroup": 2
},
{
"id": "jvasp-37615",
"created_at": "2022-09-04T14:37:50.805611Z",
"updated_at": "2022-09-04T14:37:50.805636Z",
"structure_string": "Ti3 Nb1\n1.0\n-1.965072 1.965072 4.486021\n1.965072 -1.965072 4.486021\n1.965072 1.965072 -4.486021\nTi Nb\n3 1\ndirect\n0.750002 0.250001 0.500002 Ti\n0.250001 0.750002 0.500002 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Nb"
],
"chemical_system": "Nb-Ti",
"density": 5.667813690678639,
"density_atomic": 0.05772736877558288,
"volume": 69.29122329393077,
"volume_molar": 10.43203750271605,
"formula_full": "Ti3 Nb1",
"formula_reduced": "Ti3Nb",
"formula_anonymous": "AB3",
"energy_above_hull": 4.2582636,
"spacegroup": 139
},
{
"id": "jvasp-40611",
"created_at": "2022-09-04T14:37:45.878418Z",
"updated_at": "2022-09-04T14:37:45.878437Z",
"structure_string": "Pu2 Si6\n1.0\n2.964849 -5.135269 -0.000000\n2.964849 5.135269 -0.000000\n-0.000000 -0.000000 4.503033\nPu Si\n2 6\ndirect\n0.666667 0.333333 0.250000 Pu\n0.333333 0.666667 0.749999 Pu\n0.855348 0.710695 0.749999 Si\n0.855348 0.144653 0.749999 Si\n0.289305 0.144653 0.749999 Si\n0.144653 0.289305 0.250000 Si\n0.144653 0.855348 0.250000 Si\n0.710695 0.855348 0.250000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Si"
],
"chemical_system": "Pu-Si",
"density": 7.950446594772826,
"density_atomic": 0.05834304394902217,
"volume": 137.1200310869978,
"volume_molar": 10.321951602768458,
"formula_full": "Pu2 Si6",
"formula_reduced": "PuSi3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.258501449999999,
"spacegroup": 194
},
{
"id": "jvasp-100201",
"created_at": "2022-09-04T14:36:38.810034Z",
"updated_at": "2022-09-04T14:36:38.810053Z",
"structure_string": "Lu1 Np1 Ru2\n1.0\n4.095998 -0.000000 2.364826\n1.365332 3.861744 2.364826\n-0.000000 0.000000 4.729651\nLu Np Ru\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Lu\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Ru\n0.750000 0.749999 0.750001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Np",
"Ru"
],
"chemical_system": "Lu-Np-Ru",
"density": 13.630783926521177,
"density_atomic": 0.05346722932845473,
"volume": 74.81218028762227,
"volume_molar": 11.263237006363966,
"formula_full": "Lu1 Np1 Ru2",
"formula_reduced": "LuNpRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2586191875,
"spacegroup": 225
},
{
"id": "jvasp-66828",
"created_at": "2022-09-04T14:36:09.942471Z",
"updated_at": "2022-09-04T14:36:09.942498Z",
"structure_string": "Mn1 Be1 W1\n1.0\n1.334592 -2.311582 -0.000000\n1.334592 2.311582 0.000000\n-0.000000 -0.000000 6.152723\nMn Be W\n1 1 1\ndirect\n0.333332 0.666666 0.686794 Mn\n-0.000000 0.000000 0.984877 Be\n0.666666 0.333332 0.328328 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Be",
"W"
],
"chemical_system": "Be-Mn-W",
"density": 10.838722337555971,
"density_atomic": 0.07902528568797229,
"volume": 37.96253280051859,
"volume_molar": 7.6205238710279986,
"formula_full": "Mn1 Be1 W1",
"formula_reduced": "MnBeW",
"formula_anonymous": "ABC",
"energy_above_hull": 4.259097780459769,
"spacegroup": 156
},
{
"id": "jvasp-37599",
"created_at": "2022-09-04T14:38:26.764460Z",
"updated_at": "2022-09-04T14:38:26.764490Z",
"structure_string": "Ti3 Nb1\n1.0\n4.114253 0.000000 0.000000\n0.000000 4.114253 0.000000\n-0.000000 0.000000 4.114253\nTi Nb\n3 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Nb"
],
"chemical_system": "Nb-Ti",
"density": 5.63924302506747,
"density_atomic": 0.057436373086608074,
"volume": 69.64228040597926,
"volume_molar": 10.484890386304928,
"formula_full": "Ti3 Nb1",
"formula_reduced": "Ti3Nb",
"formula_anonymous": "AB3",
"energy_above_hull": 4.2591186,
"spacegroup": 221
},
{
"id": "jvasp-90418",
"created_at": "2022-09-04T14:36:02.288883Z",
"updated_at": "2022-09-04T14:36:02.288910Z",
"structure_string": "Cu1 Br2 N6\n1.0\n-4.058108 -4.058108 0.000000\n-4.058108 -0.000000 -4.058108\n0.000000 -4.058108 -4.058108\nCu Br N\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n0.650754 0.349247 0.349247 N\n0.650754 0.349247 0.650754 N\n0.650754 0.650754 0.349247 N\n0.349247 0.650754 0.650754 N\n0.349247 0.650754 0.349247 N\n0.349247 0.349247 0.650754 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cu",
"Br",
"N"
],
"chemical_system": "Br-Cu-N",
"density": 3.8189499612357616,
"density_atomic": 0.06733513126440058,
"volume": 133.65979735986957,
"volume_molar": 8.9435345961579,
"formula_full": "Cu1 Br2 N6",
"formula_reduced": "Cu(BrN3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.259222017777777,
"spacegroup": 225
}
]
}