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=188",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=186",
"results": [
{
"id": "jvasp-104015",
"created_at": "2022-09-04T14:36:54.250589Z",
"updated_at": "2022-09-04T14:36:54.250613Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.838345 -0.200944 -0.361401\n-0.396977 4.922657 -0.378883\n0.398266 0.881922 15.875281\nH Pb C O\n20 1 12 4\ndirect\n0.495643 0.562487 0.402388 H\n0.891783 0.306019 0.487460 H\n0.160343 0.307341 0.929779 H\n0.580050 0.286963 0.978262 H\n0.377820 0.420868 0.781001 H\n0.815174 0.391778 0.815746 H\n0.595615 0.585239 0.633460 H\n0.037141 0.574712 0.668492 H\n0.797969 0.794982 0.492739 H\n0.241193 0.795116 0.527707 H\n-0.015361 0.046322 0.354543 H\n0.428161 0.041227 0.389054 H\n0.377331 0.800843 0.891527 H\n0.799209 0.749811 0.929371 H\n0.541034 0.915264 0.754094 H\n0.976986 0.893992 0.790031 H\n0.716580 0.091836 0.619142 H\n0.156626 0.084777 0.654706 H\n0.073417 0.556218 0.355286 H\n0.334045 0.306109 0.521991 H\n0.008817 0.935783 0.161144 Pb\n0.295231 0.566344 0.039167 C\n0.396355 0.431511 0.959194 C\n0.553125 0.642594 0.899115 C\n0.619433 0.535956 0.811368 C\n0.742886 0.775745 0.757126 C\n0.825940 0.705421 0.667239 C\n0.206767 0.159247 0.393279 C\n0.021383 0.916957 0.528489 C\n0.112659 0.185449 0.484859 C\n0.299690 0.440983 0.358235 C\n0.456372 0.459761 0.272931 C\n0.930753 -0.036227 0.619306 C\n0.072650 0.442373 0.084620 O\n0.507939 0.700215 0.244611 O\n0.536795 0.249096 0.236197 O\n0.430496 0.815528 0.056695 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.403712860580186,
"density_atomic": 0.12298785085666059,
"volume": 300.84272342576844,
"volume_molar": 4.8965330461938565,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.670724454594596,
"spacegroup": 1
},
{
"id": "jvasp-112191",
"created_at": "2022-09-04T14:38:44.105376Z",
"updated_at": "2022-09-04T14:38:44.105401Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.996250 -0.251134 -0.348763\n-0.481280 4.711320 -0.310853\n0.513128 1.090021 16.233324\nH Pb C O\n20 1 12 4\ndirect\n0.648471 0.486773 0.377566 H\n0.989567 0.389032 0.479233 H\n0.146031 0.280780 0.901520 H\n0.544941 0.269641 0.950954 H\n0.384374 0.496362 0.778858 H\n0.799878 0.495543 0.819067 H\n0.603351 0.690241 0.646040 H\n0.019241 0.689542 0.686391 H\n0.816522 0.865229 0.510957 H\n0.229559 0.852586 0.551448 H\n0.023702 0.013960 0.372807 H\n0.422621 -0.032937 0.414921 H\n0.292362 0.822703 0.896231 H\n0.700532 0.800755 0.938709 H\n0.511846 0.026424 0.759471 H\n0.929423 0.026547 0.799307 H\n0.743242 0.219014 0.620674 H\n0.160248 0.215094 0.660357 H\n0.251888 0.506775 0.327745 H\n0.403378 0.367247 0.518045 H\n0.857298 0.854120 0.151052 Pb\n0.203922 0.429473 0.024713 C\n0.347181 0.404702 0.941476 C\n0.487489 0.683779 0.900454 C\n0.596971 0.627131 0.814287 C\n0.714454 0.894734 0.765260 C\n0.818738 0.823443 0.679830 C\n0.256299 0.128895 0.404299 C\n0.038563 -0.004821 0.543170 C\n0.174499 0.241389 0.487656 C\n0.423908 0.356679 0.347044 C\n0.531445 0.229956 0.269106 C\n0.941104 0.082865 0.627781 C\n-0.021738 0.229202 0.045436 O\n0.765711 0.367403 0.229063 O\n0.388094 -0.022860 0.246572 O\n0.310514 0.651829 0.070180 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.3624837049451095,
"density_atomic": 0.12087832882208244,
"volume": 306.09291475612065,
"volume_molar": 4.981985454864972,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.670674454594595,
"spacegroup": 1
},
{
"id": "jvasp-36349",
"created_at": "2022-09-04T14:36:36.365625Z",
"updated_at": "2022-09-04T14:36:36.365645Z",
"structure_string": "Os1 C1\n1.0\n2.189139 2.189139 0.000000\n2.189139 0.000000 -2.189139\n0.000000 2.189139 -2.189139\nOs C\n1 1\ndirect\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 16.005441091943084,
"density_atomic": 0.0953191115486434,
"volume": 20.982151087081384,
"volume_molar": 6.317873364699556,
"formula_full": "Os1 C1",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy_above_hull": 4.6706325,
"spacegroup": 225
},
{
"id": "jvasp-112124",
"created_at": "2022-09-04T14:38:44.399085Z",
"updated_at": "2022-09-04T14:38:44.399111Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n4.062518 -0.188638 -0.299567\n-0.520637 4.482624 -0.154698\n0.203465 1.838311 16.614214\nH Pb C O\n20 1 12 4\ndirect\n0.637015 0.467581 0.376571 H\n0.983112 0.342436 0.470623 H\n0.110358 0.335903 0.924753 H\n0.503271 0.314497 0.973023 H\n0.356719 0.479242 0.790083 H\n0.763625 0.463844 0.830629 H\n0.591171 0.629994 0.651593 H\n-0.000436 0.624779 0.692439 H\n0.814360 0.792333 0.512954 H\n0.220602 0.779353 0.554424 H\n0.033923 -0.041036 0.373182 H\n0.427785 -0.086891 0.417030 H\n0.312941 0.889529 0.883352 H\n0.708485 0.849203 0.927151 H\n0.519826 0.022613 0.745929 H\n0.927077 0.013383 0.787251 H\n0.743004 0.178440 0.608385 H\n0.151493 0.172636 0.649105 H\n0.245977 0.491947 0.327673 H\n0.389129 0.322548 0.511109 H\n0.874374 0.902539 0.150623 Pb\n0.217568 0.577496 0.030152 C\n0.327269 0.471024 0.954012 C\n0.485566 0.725483 0.896817 C\n0.577305 0.615678 0.818187 C\n0.709566 0.874039 0.758777 C\n0.807633 0.771132 0.679906 C\n0.257934 0.079611 0.403831 C\n0.032563 0.929640 0.541729 C\n0.167419 0.188455 0.482753 C\n0.419782 0.333767 0.347036 C\n0.530706 0.227338 0.270990 C\n0.934909 0.031965 0.620706 C\n-0.017529 0.418926 0.067837 O\n0.765426 0.386805 0.233357 O\n0.389447 -0.027910 0.246629 O\n0.360482 0.831932 0.054724 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.3893858103010124,
"density_atomic": 0.1222547961096283,
"volume": 302.64661328150567,
"volume_molar": 4.925893258698682,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.670607427567568,
"spacegroup": 2
},
{
"id": "jvasp-64945",
"created_at": "2022-09-04T14:35:42.374480Z",
"updated_at": "2022-09-04T14:35:42.374511Z",
"structure_string": "Mn1 Be1 Ir4\n1.0\n0.000000 3.597077 3.597077\n3.597077 -0.000000 3.597077\n3.597077 3.597077 0.000000\nMn Be Ir\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Mn\n0.000000 0.000000 0.000000 Be\n0.374817 0.374817 0.374817 Ir\n0.374817 0.875549 0.374817 Ir\n0.374817 0.374817 0.875549 Ir\n0.875549 0.374817 0.374817 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Mn",
"density": 14.85662357570314,
"density_atomic": 0.06445729129470934,
"volume": 93.0848920189186,
"volume_molar": 9.342838706122139,
"formula_full": "Mn1 Be1 Ir4",
"formula_reduced": "MnBeIr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.670602956896551,
"spacegroup": 216
},
{
"id": "jvasp-92373",
"created_at": "2022-09-04T14:36:13.185813Z",
"updated_at": "2022-09-04T14:36:13.185839Z",
"structure_string": "Mn4 N1\n1.0\n3.741625 -0.000000 -0.000000\n0.000000 3.741625 -0.000000\n-0.000000 -0.000000 3.741625\nMn N\n4 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.500001 0.500001 Mn\n0.500001 0.500001 0.500001 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 7.41031107010148,
"density_atomic": 0.09545292216269839,
"volume": 52.38184318210351,
"volume_molar": 6.309016658217472,
"formula_full": "Mn4 N1",
"formula_reduced": "Mn4N",
"formula_anonymous": "AB4",
"energy_above_hull": 4.670360443103448,
"spacegroup": 221
},
{
"id": "jvasp-23420",
"created_at": "2022-09-04T14:37:31.415432Z",
"updated_at": "2022-09-04T14:37:31.415457Z",
"structure_string": "Ho2 B4 C4\n1.0\n5.337019 -0.000000 -0.000000\n0.000000 5.337019 0.000000\n-0.000000 -0.000000 3.539153\nHo B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.136967 0.636967 0.500000 B\n0.636967 0.863033 0.500000 B\n0.863033 0.363033 0.500000 B\n0.363033 0.136967 0.500000 B\n0.838119 0.661881 0.500000 C\n0.338119 0.838119 0.500000 C\n0.661881 0.161881 0.500000 C\n0.161881 0.338119 0.500000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"B",
"C"
],
"chemical_system": "B-C-Ho",
"density": 6.937235324630478,
"density_atomic": 0.09919805668201681,
"volume": 100.80842643979796,
"volume_molar": 6.07082533814569,
"formula_full": "Ho2 B4 C4",
"formula_reduced": "Ho(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.670222146666667,
"spacegroup": 127
},
{
"id": "jvasp-7577",
"created_at": "2022-09-04T14:36:32.288922Z",
"updated_at": "2022-09-04T14:36:32.288942Z",
"structure_string": "Si1\n1.0\n20.000000 0.000000 0.000000\n0.000000 20.000000 0.000000\n0.000000 0.000000 20.000000\nSi\n1\ndirect\n0.500000 0.500000 0.500000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 0.005829633744374287,
"density_atomic": 0.000125,
"volume": 8000.0,
"volume_molar": 4817.712608,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 4.66963,
"spacegroup": 221
},
{
"id": "jvasp-51276",
"created_at": "2022-09-04T14:36:59.582379Z",
"updated_at": "2022-09-04T14:36:59.582404Z",
"structure_string": "Be1 W2 Cl1\n1.0\n-0.000000 3.002374 3.002374\n3.002374 0.000000 3.002374\n3.002374 3.002374 -0.000000\nBe W Cl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.749999 0.749999 0.749999 W\n0.250000 0.250000 0.250000 W\n0.499999 0.499999 0.499999 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"W",
"Cl"
],
"chemical_system": "Be-Cl-W",
"density": 12.643722558784086,
"density_atomic": 0.07389850017045525,
"volume": 54.128297472527144,
"volume_molar": 8.149205661967768,
"formula_full": "Be1 W2 Cl1",
"formula_reduced": "BeW2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.669570041875,
"spacegroup": 225
},
{
"id": "jvasp-101854",
"created_at": "2022-09-04T14:36:40.363133Z",
"updated_at": "2022-09-04T14:36:40.363151Z",
"structure_string": "H2 C6 S4 N2 O2\n1.0\n4.127794 -0.002097 0.356320\n0.113596 4.425245 0.046546\n-0.027881 -0.066929 12.106913\nH C S N O\n2 6 4 2 2\ndirect\n0.921696 0.730591 0.361114 H\n0.421681 0.730600 0.861114 H\n0.857660 0.688396 0.197195 C\n0.357649 0.688405 0.697195 C\n0.389645 0.165489 0.806716 C\n0.889657 0.165480 0.306717 C\n0.734356 0.372850 0.225102 C\n0.234346 0.372859 0.725101 C\n0.464072 0.296460 0.930161 S\n0.964076 0.296451 0.430162 S\n0.916792 0.793562 0.067931 S\n0.416790 0.793569 0.567931 S\n0.895441 0.860450 0.289915 N\n0.395423 0.860459 0.789915 N\n0.482864 0.293576 0.188113 O\n0.982852 0.293583 0.688111 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9693969545015626,
"density_atomic": 0.07233013977342088,
"volume": 221.20792314408757,
"volume_molar": 8.325907815005982,
"formula_full": "H2 C6 S4 N2 O2",
"formula_reduced": "HC3S2NO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.6695533437500005,
"spacegroup": 1
},
{
"id": "jvasp-22138",
"created_at": "2022-09-04T14:37:44.187121Z",
"updated_at": "2022-09-04T14:37:44.187150Z",
"structure_string": "Tb8 C10\n1.0\n3.685119 0.000000 0.000000\n0.000000 6.619714 0.000000\n0.000000 0.000000 12.014895\nTb C\n8 10\ndirect\n0.000000 0.254591 0.542495 Tb\n0.000000 0.745408 0.457505 Tb\n0.000000 0.754591 0.957504 Tb\n0.000000 0.245408 0.042495 Tb\n0.500000 0.107986 0.803985 Tb\n0.500000 0.892014 0.196015 Tb\n0.500000 0.607985 0.696014 Tb\n0.500000 0.392014 0.303985 Tb\n0.000000 0.596820 0.156007 C\n0.000000 0.403180 0.843993 C\n0.000000 0.137892 0.236208 C\n0.000000 0.862107 0.763791 C\n0.500000 0.500000 0.500000 C\n0.000000 0.362108 0.736208 C\n0.500000 0.000000 0.000000 C\n0.000000 0.096820 0.343993 C\n0.000000 0.637892 0.263792 C\n0.000000 0.903179 0.656007 C\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Tb",
"C"
],
"chemical_system": "C-Tb",
"density": 7.883601143592085,
"density_atomic": 0.06141320775309485,
"volume": 293.0965611235787,
"volume_molar": 9.805937485322971,
"formula_full": "Tb8 C10",
"formula_reduced": "Tb4C5",
"formula_anonymous": "A4B5",
"energy_above_hull": 4.6687504,
"spacegroup": 55
},
{
"id": "jvasp-16233",
"created_at": "2022-09-04T14:36:56.858362Z",
"updated_at": "2022-09-04T14:36:56.858384Z",
"structure_string": "Nb4 As2 C2\n1.0\n1.679883 -2.909643 0.000000\n1.679883 2.909643 -0.000000\n0.000000 -0.000000 12.033647\nNb As C\n4 2 2\ndirect\n0.333332 0.666666 0.594446 Nb\n0.666666 0.333332 0.094446 Nb\n0.666666 0.333332 0.405554 Nb\n0.333332 0.666666 0.905554 Nb\n0.666666 0.333332 0.750000 As\n0.333332 0.666666 0.250000 As\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"As",
"C"
],
"chemical_system": "As-C-Nb",
"density": 7.699986819477262,
"density_atomic": 0.06800549127168265,
"volume": 117.63755912062919,
"volume_molar": 8.855374246090635,
"formula_full": "Nb4 As2 C2",
"formula_reduced": "Nb2AsC",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.6678101375,
"spacegroup": 194
}
]
}