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=4538",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4536",
"results": [
{
"id": "jvasp-93162",
"created_at": "2022-09-04T14:35:51.385214Z",
"updated_at": "2022-09-04T14:35:51.385239Z",
"structure_string": "Li1 Mg6 C1\n1.0\n7.654925 -0.477772 0.000000\n-4.241226 7.346016 0.000000\n0.000000 0.000000 3.055494\nLi Mg C\n1 6 1\ndirect\n0.387054 0.443526 0.250000 Li\n0.652084 0.271787 0.250000 Mg\n0.652084 0.880297 0.250000 Mg\n0.205595 0.025970 0.749999 Mg\n0.205595 0.679626 0.749999 Mg\n0.981450 0.240726 0.749999 Mg\n0.827046 0.663523 0.749999 Mg\n0.089098 0.794548 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"C"
],
"chemical_system": "C-Li-Mg",
"density": 1.6520468919959477,
"density_atomic": 0.048300795193438245,
"volume": 165.6287431285772,
"volume_molar": 12.467995062777185,
"formula_full": "Li1 Mg6 C1",
"formula_reduced": "LiMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2625017874999999,
"spacegroup": 38
},
{
"id": "jvasp-98257",
"created_at": "2022-09-04T14:35:46.138928Z",
"updated_at": "2022-09-04T14:35:46.138960Z",
"structure_string": "Li4 Be4 H32 C4 N4 O4 F16\n1.0\n4.745512 0.000000 0.000000\n0.000000 9.819957 -1.644965\n0.000000 0.181006 12.227003\nLi Be H C N O F\n4 4 32 4 4 4 16\ndirect\n0.674482 0.149699 0.494784 Li\n0.325517 0.850302 0.505217 Li\n0.174482 0.350302 0.505216 Li\n0.825517 0.649699 0.494784 Li\n0.826527 0.883394 0.369367 Be\n0.326527 0.616607 0.630633 Be\n0.173473 0.116607 0.630633 Be\n0.673472 0.383394 0.369367 Be\n0.916445 0.329392 0.731460 H\n0.413355 0.259391 0.988021 H\n0.242856 0.573498 0.085649 H\n0.535407 0.539397 0.852218 H\n0.762549 0.748084 0.123182 H\n0.938992 0.824171 0.731625 H\n0.237450 0.251917 0.876818 H\n0.964592 0.039397 0.852218 H\n0.586645 0.740610 0.011979 H\n0.088797 0.446203 0.155802 H\n0.913355 0.240610 0.011979 H\n0.416446 0.170608 0.268540 H\n0.911203 0.553797 0.844199 H\n0.767086 0.943863 0.673748 H\n0.737450 0.248083 0.123182 H\n0.267086 0.556137 0.326253 H\n0.438992 0.675830 0.268375 H\n0.257143 0.073497 0.085649 H\n0.035407 0.960604 0.147782 H\n0.742856 0.926503 0.914351 H\n0.583554 0.829392 0.731460 H\n0.411203 0.946204 0.155802 H\n0.232914 0.056137 0.326253 H\n0.061008 0.175830 0.268375 H\n0.588797 0.053797 0.844198 H\n0.083554 0.670608 0.268540 H\n0.561008 0.324171 0.731625 H\n0.732914 0.443863 0.673747 H\n0.262550 0.751917 0.876818 H\n0.757143 0.426503 0.914351 H\n0.086645 0.759391 0.988021 H\n0.464593 0.460603 0.147782 H\n0.234544 0.016350 0.154687 C\n0.765455 0.983650 0.845314 C\n0.265456 0.516351 0.154687 C\n0.734544 0.483650 0.845314 C\n0.764364 0.887900 0.738589 N\n0.235636 0.112101 0.261411 N\n0.735635 0.387899 0.738589 N\n0.264364 0.612101 0.261411 N\n0.274228 0.780250 0.957422 O\n0.725771 0.219750 0.042578 O\n0.225771 0.280250 0.957422 O\n0.774228 0.719751 0.042578 O\n0.208385 0.675724 0.526647 F\n0.214213 0.472019 0.632977 F\n0.708385 0.824276 0.473354 F\n0.751530 0.280297 0.262957 F\n0.844616 0.111862 0.621616 F\n0.655383 0.611862 0.621617 F\n0.714213 0.027982 0.367023 F\n0.344617 0.388139 0.378384 F\n0.791614 0.324276 0.473354 F\n0.248470 0.719704 0.737043 F\n0.291615 0.175724 0.526646 F\n0.748470 0.780297 0.262957 F\n0.251530 0.219703 0.737043 F\n0.285787 0.972019 0.632977 F\n0.155383 0.888139 0.378384 F\n0.785786 0.527982 0.367024 F\n",
"nsites": 68,
"nelements": 7,
"elements": [
"Li",
"Be",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "Be-C-F-H-Li-N-O",
"density": 1.651551170164124,
"density_atomic": 0.11904758596323928,
"volume": 571.200158741545,
"volume_molar": 5.058599644229307,
"formula_full": "Li4 Be4 H32 C4 N4 O4 F16",
"formula_reduced": "LiBeH8CNOF4",
"formula_anonymous": "ABCDEF4G8",
"energy_above_hull": 2.573200234117647,
"spacegroup": 14
},
{
"id": "jvasp-101821",
"created_at": "2022-09-04T14:36:51.146230Z",
"updated_at": "2022-09-04T14:36:51.146249Z",
"structure_string": "H10 C12 S2 N2 O2\n1.0\n5.118479 0.103579 -0.720583\n-0.891901 7.283854 -1.453439\n-0.194540 -0.062025 7.529260\nH C S N O\n10 12 2 2 2\ndirect\n0.936777 0.948707 0.859179 H\n0.936775 0.448706 0.359179 H\n0.177029 0.772462 0.338580 H\n0.177026 0.272463 0.838582 H\n0.848535 0.961455 0.159646 H\n0.848533 0.461456 0.659648 H\n0.677709 0.090460 0.707041 H\n0.677708 0.590459 0.207041 H\n0.144740 0.961990 0.699541 H\n0.144738 0.461990 0.199542 H\n0.761743 0.340521 0.076810 C\n0.761745 0.840522 0.576810 C\n0.995109 0.368303 0.235116 C\n0.995110 0.868303 0.735115 C\n0.426964 0.528468 0.954059 C\n0.426964 0.028468 0.454059 C\n0.212189 0.418839 0.843834 C\n0.120296 0.205379 0.281732 C\n0.212191 0.918838 0.343833 C\n0.036401 0.521069 0.747260 C\n0.036402 0.021069 0.247260 C\n0.120296 0.705379 0.781732 C\n0.420903 0.253970 0.431343 S\n0.420904 0.753970 0.931342 S\n0.630566 0.992752 0.585378 N\n0.630565 0.492752 0.085378 N\n0.703754 0.701894 0.450180 O\n0.703753 0.201894 0.950180 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.651282862409086,
"density_atomic": 0.10003205295215128,
"volume": 279.91028049172746,
"volume_molar": 6.020211104615232,
"formula_full": "H10 C12 S2 N2 O2",
"formula_reduced": "H5C6SNO",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 5.159081196428572,
"spacegroup": 1
},
{
"id": "jvasp-112069",
"created_at": "2022-09-04T14:38:43.692504Z",
"updated_at": "2022-09-04T14:38:43.692532Z",
"structure_string": "H12 C24 S2 O4\n1.0\n5.882047 -0.048570 -0.416230\n-0.832689 7.269382 -1.850950\n0.047842 -0.104795 10.111583\nH C S O\n12 24 2 4\ndirect\n0.307109 0.018716 0.760121 H\n0.144539 0.859270 0.523112 H\n0.682392 0.762307 0.841005 H\n0.682393 0.262307 0.841006 H\n0.520566 0.603140 0.603347 H\n0.520567 0.103140 0.603347 H\n0.144538 0.359270 0.523112 H\n0.354433 0.030927 0.172289 H\n0.164124 0.589561 0.401377 H\n0.164125 0.089561 0.401377 H\n0.307108 0.518716 0.760120 H\n0.354433 0.530928 0.172289 H\n0.690978 0.081572 0.639489 C\n0.690977 0.581571 0.639489 C\n0.010021 0.154013 0.815024 C\n0.010020 0.654013 0.815023 C\n0.820958 0.973164 0.546864 C\n0.135559 0.037266 0.724281 C\n0.135557 0.537265 0.724281 C\n0.043143 0.947833 0.591855 C\n0.043142 0.447833 0.591855 C\n0.783469 0.671476 0.773515 C\n0.820957 0.473164 0.546864 C\n0.783470 0.171477 0.773515 C\n0.144349 0.275046 0.941482 C\n0.720803 0.883697 0.402300 C\n0.186778 0.965901 0.183498 C\n0.186778 0.465902 0.183499 C\n0.720802 0.383697 0.402299 C\n0.083784 0.496039 0.306258 C\n0.052752 0.839793 0.074986 C\n0.083784 0.996039 0.306258 C\n0.870269 0.892225 0.293320 C\n0.870268 0.392226 0.293320 C\n0.144349 0.775045 0.941482 C\n0.052753 0.339793 0.074986 C\n0.793680 0.762379 0.125234 S\n0.793680 0.262379 0.125234 S\n0.349021 0.326392 0.933435 O\n0.521034 0.805200 0.377515 O\n0.521033 0.305200 0.377515 O\n0.349020 0.826391 0.933434 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.651125887846415,
"density_atomic": 0.09746532800018562,
"volume": 430.92247121889346,
"volume_molar": 6.178751853160061,
"formula_full": "H12 C24 S2 O4",
"formula_reduced": "H6C12SO2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 5.703145571428571,
"spacegroup": 1
},
{
"id": "jvasp-38224",
"created_at": "2022-09-04T14:37:55.054870Z",
"updated_at": "2022-09-04T14:37:55.054899Z",
"structure_string": "Rb3 Na1\n1.0\n0.000000 5.198696 5.198696\n5.198696 0.000000 5.198696\n5.198696 5.198696 0.000000\nRb Na\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Na"
],
"chemical_system": "Na-Rb",
"density": 1.6510172811914994,
"density_atomic": 0.014234647888616671,
"volume": 281.0044920885445,
"volume_molar": 42.30621513873804,
"formula_full": "Rb3 Na1",
"formula_reduced": "Rb3Na",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0083699999999999,
"spacegroup": 225
},
{
"id": "jvasp-78309",
"created_at": "2022-09-04T14:37:09.096008Z",
"updated_at": "2022-09-04T14:37:09.096029Z",
"structure_string": "Ca1 Mg1\n1.0\n3.693766 -0.000000 0.000000\n-1.846882 3.198895 -0.000000\n-0.000000 -0.000000 5.482306\nCa Mg\n1 1\ndirect\n0.333334 0.666668 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6503941279824976,
"density_atomic": 0.03087431698312514,
"volume": 64.77876097123485,
"volume_molar": 19.505340841358528,
"formula_full": "Ca1 Mg1",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.2845215,
"spacegroup": 187
},
{
"id": "jvasp-101840",
"created_at": "2022-09-04T14:36:41.081835Z",
"updated_at": "2022-09-04T14:36:41.081842Z",
"structure_string": "H8 C16 S2 O4\n1.0\n3.766695 -0.054281 -0.715551\n-1.712102 8.564926 -1.940184\n-0.220723 0.201068 10.262079\nH C S O\n8 16 2 4\ndirect\n0.607660 0.285572 0.852893 H\n0.107660 0.785572 0.352893 H\n0.368638 0.776916 0.106372 H\n0.868638 0.276915 0.606372 H\n0.548121 0.575439 0.230741 H\n0.048121 0.075438 0.730741 H\n0.400711 0.480659 0.725794 H\n0.900711 0.980659 0.225794 H\n0.869357 0.276592 0.344719 C\n0.369359 0.776593 0.844719 C\n0.930927 0.001354 0.335974 C\n0.430927 0.501354 0.835974 C\n0.046225 0.892210 0.405964 C\n0.546225 0.392210 0.905964 C\n0.890635 0.145416 0.409248 C\n0.390636 0.645417 0.909248 C\n0.601956 0.424953 0.047859 C\n0.919509 0.168801 0.551376 C\n0.419508 0.668801 0.051376 C\n0.018472 0.058073 0.620659 C\n0.518472 0.558074 0.120659 C\n0.137994 0.750638 0.701343 C\n0.637994 0.250638 0.201343 C\n0.101957 0.924954 0.547859 C\n0.552857 0.958078 0.927149 S\n0.052854 0.458077 0.427149 S\n0.333338 0.168608 0.162280 O\n0.792201 0.335958 0.122740 O\n0.292203 0.835959 0.622740 O\n0.833341 0.668608 0.662280 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6500195342638766,
"density_atomic": 0.09078371016065974,
"volume": 330.45576069659484,
"volume_molar": 6.633503686225899,
"formula_full": "H8 C16 S2 O4",
"formula_reduced": "H4C8SO2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 5.398962466666667,
"spacegroup": 1
},
{
"id": "jvasp-101823",
"created_at": "2022-09-04T14:36:53.785851Z",
"updated_at": "2022-09-04T14:36:53.785874Z",
"structure_string": "H4 C6 S2 O4\n1.0\n5.338804 0.013718 0.473181\n2.167993 5.032535 0.332034\n0.130679 -0.011362 7.669391\nH C S O\n4 6 2 4\ndirect\n0.703144 0.439344 0.068003 H\n0.203121 0.439392 0.568005 H\n0.575267 0.763804 0.154536 H\n0.075282 0.763841 0.654551 H\n0.725545 0.557166 0.170672 C\n0.225548 0.557194 0.670677 C\n0.004168 0.564692 0.143827 C\n0.504178 0.564697 0.643824 C\n0.182200 0.444882 0.850062 C\n0.682193 0.444865 0.350060 C\n0.274740 0.129580 0.900229 S\n0.774706 0.129568 0.400234 S\n0.063407 0.642831 0.966393 O\n0.563420 0.642822 0.466387 O\n0.159594 0.541008 0.251580 O\n0.659613 0.541008 0.751574 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6499932759257008,
"density_atomic": 0.07784795653635206,
"volume": 205.52883738866805,
"volume_molar": 7.735772431210687,
"formula_full": "H4 C6 S2 O4",
"formula_reduced": "H2C3SO2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.321289625,
"spacegroup": 1
},
{
"id": "jvasp-33719",
"created_at": "2022-09-04T14:38:00.979688Z",
"updated_at": "2022-09-04T14:38:00.979732Z",
"structure_string": "P2 H12 N2 O4\n1.0\n3.711080 5.786280 0.000000\n-3.711080 5.786280 0.000000\n0.000000 -0.000000 3.891292\nP H N O\n2 12 2 4\ndirect\n0.250000 0.250000 0.065846 P\n0.750000 0.750000 0.934153 P\n0.780274 0.115242 0.345581 H\n0.884758 0.219726 0.654418 H\n0.615242 0.280274 0.654418 H\n0.719726 0.384758 0.345581 H\n0.400395 0.099605 0.291298 H\n0.900395 0.599605 0.708702 H\n0.099605 0.400395 0.291298 H\n0.280274 0.615242 0.654418 H\n0.384758 0.719726 0.345581 H\n0.219726 0.884758 0.654418 H\n0.115242 0.780274 0.345581 H\n0.599605 0.900395 0.708702 H\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.363505 0.363505 0.867960 O\n0.136494 0.136494 0.867960 O\n0.863505 0.863505 0.132040 O\n0.636494 0.636494 0.132040 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.6499635400610004,
"density_atomic": 0.11967582134461695,
"volume": 167.1181344342585,
"volume_molar": 5.032044645558538,
"formula_full": "P2 H12 N2 O4",
"formula_reduced": "PH6NO2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.321040575,
"spacegroup": 67
},
{
"id": "jvasp-35956",
"created_at": "2022-09-04T14:38:28.760796Z",
"updated_at": "2022-09-04T14:38:28.760821Z",
"structure_string": "Li2 C4 N4\n1.0\n3.368212 0.220777 -0.227654\n-0.618861 5.764147 -1.884552\n0.303624 -0.088816 6.087680\nLi C N\n2 4 4\ndirect\n0.499999 0.363129 0.636872 Li\n0.499999 0.636872 0.363130 Li\n-0.000001 0.118744 0.881255 C\n0.194136 0.140699 0.140698 C\n0.000000 0.881255 0.118746 C\n0.805862 0.859300 0.859301 C\n0.631117 0.708948 0.708949 N\n-0.000000 0.760504 0.239498 N\n-0.000001 0.239497 0.760502 N\n0.368884 0.291054 0.291054 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"C",
"N"
],
"chemical_system": "C-Li-N",
"density": 1.649804082921567,
"density_atomic": 0.08423245142253123,
"volume": 118.71909022138601,
"volume_molar": 7.149430722123261,
"formula_full": "Li2 C4 N4",
"formula_reduced": "Li(CN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.9267313,
"spacegroup": 12
},
{
"id": "jvasp-91771",
"created_at": "2022-09-04T14:36:13.685187Z",
"updated_at": "2022-09-04T14:36:13.685209Z",
"structure_string": "Ca8\n1.0\n4.339045 -0.000000 -0.000000\n-0.000000 4.339045 -0.000000\n0.000000 -0.000000 17.145121\nCa\n8\ndirect\n0.000029 0.499906 0.687491 Ca\n-0.000029 0.500093 0.187491 Ca\n-0.000093 0.499970 0.437491 Ca\n0.000093 0.500029 0.937491 Ca\n0.500093 -0.000029 0.812509 Ca\n0.499906 0.000029 0.312509 Ca\n0.499970 -0.000093 0.562509 Ca\n0.500029 0.000093 0.062509 Ca\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6493630558166035,
"density_atomic": 0.024783413568301438,
"volume": 322.7965339783615,
"volume_molar": 24.29907705572269,
"formula_full": "Ca8",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.01490042,
"spacegroup": 229
},
{
"id": "jvasp-25164",
"created_at": "2022-09-04T14:38:17.580559Z",
"updated_at": "2022-09-04T14:38:17.580585Z",
"structure_string": "Ca8\n1.0\n4.331278 -0.000000 -0.000000\n0.000000 4.331278 0.000000\n0.000000 0.000000 17.207435\nCa\n8\ndirect\n0.500033 0.000080 0.062507 Ca\n0.499920 0.000033 0.312507 Ca\n0.500080 0.999968 0.812507 Ca\n0.000033 0.499920 0.687493 Ca\n0.999968 0.500080 0.187493 Ca\n0.499967 0.999921 0.562507 Ca\n0.000080 0.500033 0.937493 Ca\n0.999921 0.499967 0.437493 Ca\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6492894034196883,
"density_atomic": 0.02478230686362134,
"volume": 322.8109491188421,
"volume_molar": 24.300162180785815,
"formula_full": "Ca8",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.01475042,
"spacegroup": 229
}
]
}