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=4469",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4467",
"results": [
{
"id": "jvasp-24607",
"created_at": "2022-09-04T14:37:18.412137Z",
"updated_at": "2022-09-04T14:37:18.412164Z",
"structure_string": "Be8 B2\n1.0\n3.353126 0.000000 0.000000\n-0.000000 3.353126 -0.000000\n-0.000000 -0.000000 7.005431\nBe B\n8 2\ndirect\n0.500001 0.500001 0.000000 Be\n0.000000 0.000000 0.000000 Be\n0.000000 0.500001 0.480596 Be\n0.500001 0.000000 0.519404 Be\n0.000000 0.000000 0.304924 Be\n0.500001 0.500001 0.304924 Be\n0.500001 0.500001 0.695076 Be\n0.000000 0.000000 0.695076 Be\n0.500001 0.000000 0.830256 B\n0.000000 0.500001 0.169744 B\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Be",
"B"
],
"chemical_system": "B-Be",
"density": 1.975805774341923,
"density_atomic": 0.1269595556724076,
"volume": 78.76524100165327,
"volume_molar": 4.743353683072793,
"formula_full": "Be8 B2",
"formula_reduced": "Be4B",
"formula_anonymous": "AB4",
"energy_above_hull": 2.510241396666667,
"spacegroup": 129
},
{
"id": "jvasp-118503",
"created_at": "2022-09-04T14:38:52.689379Z",
"updated_at": "2022-09-04T14:38:52.689404Z",
"structure_string": "H1 S3\n1.0\n5.077759 -0.515813 0.012576\n0.072604 -5.169705 -0.952361\n-0.886061 1.614962 -2.837479\nH S\n1 3\ndirect\n0.129883 0.165973 0.221783 H\n0.871697 0.250794 0.245094 S\n0.370610 0.714523 0.707361 S\n-0.027216 0.663453 0.489414 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 1.9756977810352843,
"density_atomic": 0.048961194551217536,
"volume": 81.69735311126168,
"volume_molar": 12.299824003886044,
"formula_full": "H1 S3",
"formula_reduced": "HS3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.08279,
"spacegroup": 1
},
{
"id": "jvasp-2826",
"created_at": "2022-09-04T14:36:51.745026Z",
"updated_at": "2022-09-04T14:36:51.745043Z",
"structure_string": "Na2 Li2 S2\n1.0\n4.005547 0.000000 0.000000\n0.000000 4.005547 0.000000\n0.000000 0.000000 6.495466\nNa Li S\n2 2 2\ndirect\n0.500000 0.000000 0.648542 Na\n0.000000 0.500000 0.351458 Na\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.216553 S\n0.000000 0.500000 0.783447 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Li",
"S"
],
"chemical_system": "Li-Na-S",
"density": 1.975637079897881,
"density_atomic": 0.05757278953760867,
"volume": 104.21589865956692,
"volume_molar": 10.46004685263012,
"formula_full": "Na2 Li2 S2",
"formula_reduced": "NaLiS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.105153,
"spacegroup": 129
},
{
"id": "jvasp-33314",
"created_at": "2022-09-04T14:36:46.773960Z",
"updated_at": "2022-09-04T14:36:46.773979Z",
"structure_string": "Zn2 H16 C4 S4 N12\n1.0\n6.631783 0.000000 -1.981988\n0.000000 14.920772 0.000000\n-0.049822 0.000000 4.188360\nZn H C S N\n2 16 4 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.220656 0.529197 0.405444 H\n0.279344 0.029197 0.594556 H\n0.779344 0.470802 0.594555 H\n0.720656 0.970802 0.405444 H\n0.246662 0.626336 0.607448 H\n0.253338 0.126336 0.392552 H\n0.753338 0.373664 0.392551 H\n0.746662 0.873664 0.607448 H\n0.366948 0.658984 0.186750 H\n0.133052 0.158984 0.813249 H\n0.633052 0.341016 0.813249 H\n0.866948 0.841016 0.186750 H\n0.577612 0.628262 0.476313 H\n0.922388 0.128262 0.523686 H\n0.422388 0.371738 0.523687 H\n0.077612 0.871738 0.476313 H\n0.125019 0.373683 0.048568 C\n0.374982 0.873683 0.951431 C\n0.625018 0.126317 0.048568 C\n0.874981 0.626316 0.951431 C\n0.492256 0.207627 0.130519 S\n0.007744 0.707627 0.869481 S\n0.507743 0.792373 0.869480 S\n0.992256 0.292373 0.130519 S\n0.276597 0.933787 0.006075 N\n0.776597 0.566213 0.006075 N\n0.723403 0.066213 0.993924 N\n0.325917 0.574041 0.543264 N\n0.174084 0.074041 0.456736 N\n0.440367 0.605390 0.327684 N\n0.825916 0.925959 0.543263 N\n0.059633 0.105390 0.672316 N\n0.559633 0.394610 0.672316 N\n0.940367 0.894610 0.327683 N\n0.674083 0.425959 0.456736 N\n0.223403 0.433787 0.993925 N\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Zn",
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S-Zn",
"density": 1.9756131892482107,
"density_atomic": 0.09201628370657385,
"volume": 412.97038382006724,
"volume_molar": 6.544646792304399,
"formula_full": "Zn2 H16 C4 S4 N12",
"formula_reduced": "ZnH8C2(SN3)2",
"formula_anonymous": "AB2C2D6E8",
"energy_above_hull": 4.360972099999999,
"spacegroup": 14
},
{
"id": "jvasp-55638",
"created_at": "2022-09-04T14:37:18.106859Z",
"updated_at": "2022-09-04T14:37:18.106881Z",
"structure_string": "B8 Cl16\n1.0\n6.144642 -0.000000 0.000000\n0.000000 7.563560 0.000000\n0.000000 0.000000 11.823528\nB Cl\n8 16\ndirect\n0.384695 0.057925 0.515260 B\n0.884694 0.442075 0.484740 B\n0.615305 0.557925 0.984740 B\n0.115305 0.942075 0.015260 B\n0.615305 0.942075 0.484740 B\n0.115305 0.557925 0.515260 B\n0.384695 0.442075 0.015260 B\n0.884694 0.057925 0.984740 B\n0.240049 0.686750 0.409392 Cl\n0.740049 0.813250 0.590608 Cl\n0.240049 0.813250 0.909393 Cl\n0.740049 0.686750 0.090608 Cl\n0.759950 0.313250 0.590608 Cl\n0.259950 0.186750 0.409392 Cl\n0.264979 0.049521 0.648835 Cl\n0.735021 0.950479 0.351165 Cl\n0.735021 0.549521 0.851165 Cl\n0.235021 0.950479 0.148835 Cl\n0.259950 0.313250 0.909393 Cl\n0.235021 0.549521 0.648835 Cl\n0.264979 0.450479 0.148835 Cl\n0.764979 0.049521 0.851165 Cl\n0.764979 0.450479 0.351165 Cl\n0.759950 0.186750 0.090608 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"B",
"Cl"
],
"chemical_system": "B-Cl",
"density": 1.9755206479086964,
"density_atomic": 0.04367584500203337,
"volume": 549.5028201259222,
"volume_molar": 13.788263878396934,
"formula_full": "B8 Cl16",
"formula_reduced": "BCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.129993572777778,
"spacegroup": 61
},
{
"id": "jvasp-90605",
"created_at": "2022-09-04T14:35:59.774093Z",
"updated_at": "2022-09-04T14:35:59.774104Z",
"structure_string": "Mg6 Al2\n1.0\n6.186984 -0.000000 0.000000\n-3.093493 5.358086 -0.000000\n0.000000 -0.000000 5.066165\nMg Al\n6 2\ndirect\n0.662051 0.831027 0.750001 Mg\n0.168974 0.337949 0.750001 Mg\n0.168975 0.831027 0.750001 Mg\n0.831026 0.662052 0.250000 Mg\n0.831026 0.168974 0.250000 Mg\n0.337949 0.168974 0.250000 Mg\n0.666667 0.333333 0.750001 Al\n0.333333 0.666668 0.250000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 1.9754294784832427,
"density_atomic": 0.04763454090286404,
"volume": 167.94535747313137,
"volume_molar": 12.642382283646437,
"formula_full": "Mg6 Al2",
"formula_reduced": "Mg3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3132568285714285,
"spacegroup": 194
},
{
"id": "jvasp-112225",
"created_at": "2022-09-04T14:38:47.054411Z",
"updated_at": "2022-09-04T14:38:47.054436Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.934230 0.107820 0.108805\n0.864238 4.247128 0.327416\n0.182309 -0.054297 17.237840\nCd H C O\n1 20 12 4\ndirect\n0.142620 0.869914 0.859101 Cd\n0.000092 0.724713 0.533426 H\n0.025394 0.204228 0.607217 H\n0.492815 0.199148 0.015477 H\n0.631390 0.208198 0.189979 H\n0.209744 0.236287 0.155932 H\n0.393630 0.213372 0.326971 H\n0.964762 0.257341 0.295272 H\n0.183447 0.210605 0.466577 H\n0.750874 0.253904 0.437211 H\n0.894564 0.172901 0.059229 H\n0.590347 0.217923 0.583755 H\n0.654851 0.720211 0.110563 H\n0.247720 0.721756 0.071437 H\n0.430643 0.725475 0.251183 H\n0.006124 0.759729 0.217405 H\n0.212470 0.725371 0.392673 H\n0.781739 0.767713 0.361982 H\n0.790758 0.740352 0.670823 H\n0.371148 0.671980 0.664398 H\n0.564784 0.747904 0.508438 H\n0.792388 0.501298 0.961777 C\n0.666623 0.342181 0.034596 C\n0.485216 0.564635 0.095834 C\n0.394082 0.379658 0.169797 C\n0.243444 0.585935 0.236596 C\n0.157145 0.392236 0.309473 C\n0.772599 0.367277 0.594808 C\n0.943657 0.389085 0.451022 C\n0.814304 0.579347 0.521772 C\n0.648256 0.551201 0.666778 C\n0.710485 0.357073 0.743989 C\n0.020390 0.589973 0.378598 C\n0.063049 0.359518 0.925378 O\n0.530529 0.448100 0.803939 O\n0.959311 0.106429 0.745834 O\n0.637768 0.786469 0.938882 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9752693283979776,
"density_atomic": 0.12918502304092402,
"volume": 286.4109099417733,
"volume_molar": 4.6616400401866,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595727398648649,
"spacegroup": 1
},
{
"id": "jvasp-12559",
"created_at": "2022-09-04T14:38:14.608751Z",
"updated_at": "2022-09-04T14:38:14.608767Z",
"structure_string": "Ca4 H8\n1.0\n3.551940 -0.000000 0.000000\n-0.000000 5.885148 0.000000\n0.000000 0.000000 6.771786\nCa H\n4 8\ndirect\n0.250000 0.739682 0.611680 Ca\n0.750000 0.260318 0.388320 Ca\n0.250000 0.239682 0.888320 Ca\n0.750000 0.760318 0.111680 Ca\n0.250000 0.473390 0.175932 H\n0.750000 0.526610 0.824069 H\n0.250000 0.973390 0.324069 H\n0.750000 0.026610 0.675932 H\n0.750000 0.644332 0.427947 H\n0.250000 0.355668 0.572054 H\n0.750000 0.144332 0.072054 H\n0.250000 0.855668 0.927947 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"H"
],
"chemical_system": "Ca-H",
"density": 1.9751578642030938,
"density_atomic": 0.08477250388105735,
"volume": 141.555332809763,
"volume_molar": 7.103884495908659,
"formula_full": "Ca4 H8",
"formula_reduced": "CaH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.164366806666667,
"spacegroup": 62
},
{
"id": "jvasp-95258",
"created_at": "2022-09-04T14:36:06.744564Z",
"updated_at": "2022-09-04T14:36:06.744589Z",
"structure_string": "Cr2 P4 H30 N4 O22\n1.0\n6.274911 6.016025 -1.699370\n-6.274911 6.016025 1.699370\n0.015969 0.000000 7.416279\nCr P H N O\n2 4 30 4 22\ndirect\n0.780449 0.219551 0.218429 Cr\n0.219552 0.780449 0.781572 Cr\n0.755511 0.494068 0.853422 P\n0.505933 0.244490 0.853422 P\n0.244490 0.505932 0.146578 P\n0.494068 0.755511 0.146578 P\n0.026557 0.973443 0.816485 H\n0.967932 0.168414 0.999248 H\n0.831586 0.032069 0.999248 H\n0.032069 0.831586 0.000753 H\n0.168414 0.967932 0.000753 H\n0.144226 0.271693 0.766949 H\n0.979318 0.350334 0.737618 H\n0.271693 0.144226 0.233051 H\n0.973444 0.026557 0.183515 H\n0.649667 0.020683 0.737618 H\n0.020683 0.649667 0.262382 H\n0.350334 0.979318 0.262382 H\n0.728308 0.855775 0.766949 H\n0.399465 0.737599 0.541702 H\n0.855775 0.728308 0.233051 H\n0.600536 0.262402 0.458298 H\n0.262402 0.600536 0.541702 H\n0.316043 0.316043 0.000000 H\n0.041720 0.352124 0.340871 H\n0.647876 0.958281 0.340871 H\n0.958281 0.647876 0.659129 H\n0.352125 0.041720 0.659129 H\n0.683958 0.683958 -0.000000 H\n0.759148 0.004787 0.524368 H\n0.737599 0.399465 0.458298 H\n0.004787 0.759147 0.475632 H\n0.240853 0.995214 0.475632 H\n0.588197 0.411804 0.285802 H\n0.411804 0.588197 0.714198 H\n0.995214 0.240853 0.524368 H\n0.901639 0.098362 0.084378 N\n0.098362 0.901639 0.915622 N\n0.664045 0.335956 0.372462 N\n0.335956 0.664045 0.627538 N\n0.490492 0.850673 0.295050 O\n0.030917 0.253245 0.739275 O\n0.746756 0.969084 0.739275 O\n0.254498 0.980971 0.617493 O\n0.019029 0.745503 0.617493 O\n0.745503 0.019029 0.382507 O\n0.980971 0.254498 0.382507 O\n0.411997 0.588003 0.211246 O\n0.588003 0.411997 0.788754 O\n0.149328 0.509508 0.295050 O\n0.588595 0.178547 0.049606 O\n0.850673 0.490492 0.704950 O\n0.660234 0.716294 0.142581 O\n0.283707 0.339767 0.142581 O\n0.339767 0.283707 0.857419 O\n0.716294 0.660234 0.857419 O\n0.411406 0.821454 0.950394 O\n0.178547 0.588595 0.950394 O\n0.821454 0.411406 0.049606 O\n0.969084 0.746756 0.260725 O\n0.509509 0.149328 0.704950 O\n0.253245 0.030917 0.260725 O\n",
"nsites": 62,
"nelements": 5,
"elements": [
"Cr",
"P",
"H",
"N",
"O"
],
"chemical_system": "Cr-H-N-O-P",
"density": 1.9743654898532432,
"density_atomic": 0.11066371649374797,
"volume": 560.2558992630862,
"volume_molar": 5.441838527391429,
"formula_full": "Cr2 P4 H30 N4 O22",
"formula_reduced": "CrP2H15N2O11",
"formula_anonymous": "AB2C2D11E15",
"energy_above_hull": 3.5398165612903227,
"spacegroup": 12
},
{
"id": "jvasp-112200",
"created_at": "2022-09-04T14:38:45.567078Z",
"updated_at": "2022-09-04T14:38:45.567095Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.906190 0.102083 0.746012\n1.164504 4.371069 0.513901\n-0.033334 0.177806 16.905738\nCd H C O\n1 20 12 4\ndirect\n-0.023065 0.154599 0.861819 Cd\n0.732003 0.058567 0.507194 H\n0.898037 0.548606 0.589001 H\n0.728812 0.295392 0.025728 H\n0.538043 0.295330 0.208011 H\n0.713049 0.966716 0.151837 H\n0.706591 0.628093 0.288248 H\n0.287335 0.588314 0.335203 H\n0.808087 0.578971 0.439111 H\n0.358385 0.593777 0.474688 H\n0.513514 0.656996 0.068021 H\n0.441905 0.580210 0.622039 H\n0.005618 0.457581 0.135153 H\n0.180738 0.120471 0.081953 H\n0.998830 0.109927 0.265746 H\n0.175112 0.789720 0.207445 H\n0.605190 0.097029 0.361880 H\n0.158717 0.100260 0.396848 H\n0.824900 0.044138 0.651729 H\n0.371722 0.084054 0.682973 H\n0.277462 0.087490 0.539831 H\n0.283468 0.569553 0.971576 C\n0.470208 0.459138 0.044620 C\n0.255492 0.291704 0.110321 C\n0.462932 0.127269 0.178498 C\n0.250706 0.948319 0.240310 C\n0.430841 0.760796 0.310550 C\n0.633923 0.716014 0.602183 C\n0.540559 0.739419 0.455258 C\n0.541972 0.919782 0.525746 C\n0.629992 0.909642 0.670225 C\n0.719882 0.734959 0.749407 C\n0.429809 0.945884 0.380481 C\n0.359345 0.388324 0.914045 O\n0.610155 0.880699 0.813973 O\n0.910942 0.455278 0.747860 O\n0.053335 0.832236 0.971818 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9743298860459937,
"density_atomic": 0.12912358236539595,
"volume": 286.5471924043806,
"volume_molar": 4.663858181194548,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595764966216217,
"spacegroup": 1
},
{
"id": "jvasp-100231",
"created_at": "2022-09-04T14:36:33.876840Z",
"updated_at": "2022-09-04T14:36:33.876861Z",
"structure_string": "Sr2 Ca6\n1.0\n7.893851 0.000000 0.000000\n-3.946926 6.836276 0.000000\n0.000000 0.000000 6.481824\nSr Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164572 0.329142 0.250000 Ca\n0.670858 0.835429 0.250000 Ca\n0.164571 0.835429 0.250000 Ca\n0.835428 0.670858 0.750000 Ca\n0.329142 0.164572 0.750000 Ca\n0.835428 0.164572 0.750000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 1.9734754696205994,
"density_atomic": 0.02287095185768741,
"volume": 349.7886773484257,
"volume_molar": 26.330958140580538,
"formula_full": "Sr2 Ca6",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0008875,
"spacegroup": 194
},
{
"id": "jvasp-32962",
"created_at": "2022-09-04T14:37:13.503726Z",
"updated_at": "2022-09-04T14:37:13.503747Z",
"structure_string": "Mn2 C8 N2 O10\n1.0\n6.536732 -0.000000 0.000000\n-3.268366 5.481238 -1.718427\n0.000000 -0.002788 9.257434\nMn C N O\n2 8 2 10\ndirect\n0.124387 -0.000000 0.750000 Mn\n0.875613 -0.000000 0.250000 Mn\n0.290687 0.272318 0.683051 C\n0.639368 0.835477 0.085603 C\n0.803891 0.164523 0.414396 C\n0.360631 0.164523 0.914396 C\n0.018369 0.727682 0.816948 C\n0.981630 0.272318 0.183051 C\n0.709312 0.727682 0.316948 C\n0.196108 0.835477 0.585603 C\n0.865363 -0.000000 0.750000 N\n0.134637 -0.000000 0.250000 N\n0.314397 -0.000000 0.250000 O\n0.235785 0.729672 0.479354 O\n0.043578 0.440687 0.141272 O\n0.956421 0.559313 0.858727 O\n0.506114 0.270328 0.020646 O\n0.397108 0.440687 0.641272 O\n0.602891 0.559313 0.358728 O\n0.493885 0.729672 0.979354 O\n0.685603 -0.000000 0.750000 O\n0.764214 0.270328 0.520645 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mn",
"C",
"N",
"O"
],
"chemical_system": "C-Mn-N-O",
"density": 1.972523971961779,
"density_atomic": 0.06633362387544928,
"volume": 331.6568387897531,
"volume_molar": 9.07856439640237,
"formula_full": "Mn2 C8 N2 O10",
"formula_reduced": "MnC4NO5",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 4.9543879992163005,
"spacegroup": 15
}
]
}