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_atomic&page=166",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=164",
"results": [
{
"id": "jvasp-48258",
"created_at": "2022-09-04T14:35:41.010708Z",
"updated_at": "2022-09-04T14:35:41.010724Z",
"structure_string": "Li6 Mn1 O6\n1.0\n5.384483 0.056278 0.035721\n2.412460 4.814746 0.038352\n2.416231 1.506804 4.571111\nLi Mn O\n6 1 6\ndirect\n0.078317 0.716934 0.495368 Li\n0.504535 0.921762 0.283078 Li\n0.282998 0.504503 0.921664 Li\n0.717001 0.495498 0.078335 Li\n0.495464 0.078238 0.716921 Li\n0.921683 0.283067 0.504631 Li\n0.000000 0.000000 0.000000 Mn\n0.202021 0.904790 0.650934 O\n0.349107 0.798047 0.095151 O\n0.095111 0.349095 0.797985 O\n0.904889 0.650906 0.202014 O\n0.650892 0.201953 0.904848 O\n0.797979 0.095211 0.349065 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.7263881817384346,
"density_atomic": 0.11083317116259776,
"volume": 117.29340470578393,
"volume_molar": 5.43351841044521,
"formula_full": "Li6 Mn1 O6",
"formula_reduced": "Li6MnO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.0155837108753314,
"spacegroup": 148
},
{
"id": "jvasp-47529",
"created_at": "2022-09-04T14:35:42.521558Z",
"updated_at": "2022-09-04T14:35:42.521587Z",
"structure_string": "Mn1 Co1 O4\n1.0\n-5.197221 0.313347 0.007724\n-3.487267 2.603750 0.007651\n1.676253 2.315671 -4.351949\nMn Co O\n1 1 4\ndirect\n0.498870 0.506154 0.005024 Mn\n0.498855 0.006167 0.505022 Co\n0.193524 0.116812 0.699690 O\n0.195464 0.006135 0.201600 O\n0.802263 0.006183 0.808447 O\n0.804172 0.895518 0.310338 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 5.455829176363642,
"density_atomic": 0.11083145740624711,
"volume": 54.13625463759177,
"volume_molar": 5.433602427446339,
"formula_full": "Mn1 Co1 O4",
"formula_reduced": "MnCoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.9307936902298857,
"spacegroup": 65
},
{
"id": "jvasp-9616",
"created_at": "2022-09-04T14:38:28.424747Z",
"updated_at": "2022-09-04T14:38:28.424762Z",
"structure_string": "Ta2 B2 O8\n1.0\n5.007557 0.004765 -1.464953\n-2.810880 4.144224 -1.464953\n-0.002522 -0.004765 5.217443\nTa B O\n2 2 8\ndirect\n0.125000 0.874999 0.250000 Ta\n0.875001 0.125000 0.750000 Ta\n0.625001 0.375000 0.250001 B\n0.375000 0.624999 0.750000 B\n0.799711 0.371147 0.071438 O\n0.728273 0.799709 0.928563 O\n0.271727 0.200290 0.071437 O\n0.200290 0.628852 0.928563 O\n0.200290 0.271726 0.571436 O\n0.628854 0.200290 0.428564 O\n0.799710 0.728273 0.428564 O\n0.371146 0.799709 0.571437 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"B",
"O"
],
"chemical_system": "B-O-Ta",
"density": 7.844745481776073,
"density_atomic": 0.11082924241205246,
"volume": 108.27467317141044,
"volume_molar": 5.433711021510244,
"formula_full": "Ta2 B2 O8",
"formula_reduced": "TaBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.3687676305555554,
"spacegroup": 141
},
{
"id": "jvasp-85500",
"created_at": "2022-09-04T14:35:48.004969Z",
"updated_at": "2022-09-04T14:35:48.004991Z",
"structure_string": "Eu2 H6 O6\n1.0\n6.340896 -0.003766 0.000000\n-3.168423 5.494574 0.000000\n0.000000 0.000000 3.626999\nEu H O\n2 6 6\ndirect\n0.333364 0.666727 0.250000 Eu\n0.666636 0.333272 0.750000 Eu\n0.862486 0.726681 0.250000 H\n0.864315 0.137430 0.250000 H\n0.272965 0.135799 0.250000 H\n0.137514 0.273317 0.750000 H\n0.135686 0.862569 0.750000 H\n0.727035 0.864199 0.750000 H\n0.917377 0.607723 0.250000 O\n0.690427 0.082570 0.250000 O\n0.392113 0.309604 0.250000 O\n0.082623 0.392275 0.750000 O\n0.309573 0.917428 0.750000 O\n0.607887 0.690395 0.750000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Eu",
"H",
"O"
],
"chemical_system": "Eu-H-O",
"density": 5.336566093647104,
"density_atomic": 0.11082677783161902,
"volume": 126.32326116410633,
"volume_molar": 5.433831857089213,
"formula_full": "Eu2 H6 O6",
"formula_reduced": "Eu(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.3910629285714284,
"spacegroup": 176
},
{
"id": "jvasp-114455",
"created_at": "2022-09-04T14:38:41.752263Z",
"updated_at": "2022-09-04T14:38:41.752294Z",
"structure_string": "N1 F2\n1.0\n3.599084 0.000000 0.000000\n-1.799542 3.116898 -0.000000\n0.000000 0.000000 2.413115\nN F\n1 2\ndirect\n0.000000 0.000000 0.000000 N\n0.333333 0.666667 0.000000 F\n0.666667 0.333333 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"N",
"F"
],
"chemical_system": "F-N",
"density": 3.1899886107847593,
"density_atomic": 0.11082268354647777,
"volume": 27.070270309253377,
"volume_molar": 5.434032607119085,
"formula_full": "N1 F2",
"formula_reduced": "NF2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9313179383333328,
"spacegroup": 191
},
{
"id": "jvasp-111928",
"created_at": "2022-09-04T14:38:39.466683Z",
"updated_at": "2022-09-04T14:38:39.466703Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.119867 0.052607 -0.710409\n-2.524027 4.345889 0.289626\n0.016098 -0.144703 9.676202\nLi Mn O F\n8 4 8 4\ndirect\n0.187087 0.862800 0.506230 Li\n-0.000000 0.500000 0.000000 Li\n0.064494 0.138932 0.251812 Li\n0.678077 0.875864 0.992157 Li\n0.500000 0.500000 0.500000 Li\n0.321924 0.124139 0.007843 Li\n0.935506 0.861069 0.748188 Li\n0.812914 0.137201 0.493770 Li\n0.577354 0.155712 0.750453 Mn\n0.751411 0.491519 0.249352 Mn\n0.248590 0.508482 0.750648 Mn\n0.422647 0.844290 0.249547 Mn\n0.057768 0.805436 0.148232 O\n0.289929 0.818208 0.872579 O\n0.521872 0.828556 0.635538 O\n0.254610 0.195528 0.643822 O\n0.745391 0.804473 0.356178 O\n0.478129 0.171445 0.364462 O\n0.710072 0.181794 0.127422 O\n0.942233 0.194566 0.851768 O\n0.352444 0.487617 0.118418 F\n0.124043 0.468635 0.389665 F\n0.647557 0.512385 0.881582 F\n0.875958 0.531366 0.610335 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6744476796343113,
"density_atomic": 0.1108089602227746,
"volume": 216.58898298250858,
"volume_molar": 5.434705594107963,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5220640873132187,
"spacegroup": 2
},
{
"id": "jvasp-30047",
"created_at": "2022-09-04T14:38:05.616215Z",
"updated_at": "2022-09-04T14:38:05.616233Z",
"structure_string": "B1 N1\n1.0\n1.256818 0.000000 3.303894\n1.256818 0.000000 -3.303894\n-1.256818 2.173385 0.000000\nB N\n1 1\ndirect\n0.000126 0.000126 0.000251 B\n0.666575 0.666575 0.333148 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.2832079587650105,
"density_atomic": 0.11080639798842604,
"volume": 18.049499273578988,
"volume_molar": 5.43483126365052,
"formula_full": "B1 N1",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.5146379166666666,
"spacegroup": 42
},
{
"id": "jvasp-49957",
"created_at": "2022-09-04T14:35:40.795427Z",
"updated_at": "2022-09-04T14:35:40.795447Z",
"structure_string": "Li4 Rh2 O6\n1.0\n5.112358 0.000044 0.013935\n2.555446 4.412964 0.006855\n1.699451 0.000181 4.804962\nLi Rh O\n4 2 6\ndirect\n0.500295 0.500185 0.500048 Li\n0.160231 0.180340 0.500062 Li\n0.840382 0.820009 0.500065 Li\n0.000297 0.500148 0.000068 Li\n0.333759 0.833271 0.000051 Rh\n0.666841 0.167034 0.000056 Rh\n0.426089 0.153053 0.764354 O\n0.574503 0.847251 0.235758 O\n0.266214 0.500140 0.239485 O\n0.078956 0.847325 0.764392 O\n0.921649 0.152973 0.235715 O\n0.734384 0.500171 0.760625 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Rh",
"O"
],
"chemical_system": "Li-O-Rh",
"density": 5.053334727108544,
"density_atomic": 0.11080534188789601,
"volume": 108.29802783462047,
"volume_molar": 5.434883063754022,
"formula_full": "Li4 Rh2 O6",
"formula_reduced": "Li2RhO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.8579505833333332,
"spacegroup": 12
},
{
"id": "jvasp-43010",
"created_at": "2022-09-04T14:38:14.919234Z",
"updated_at": "2022-09-04T14:38:14.919245Z",
"structure_string": "Li3 Mn4 O8\n1.0\n-0.000000 4.010872 4.010872\n4.010872 -0.000000 4.010872\n4.142272 4.142272 -0.131400\nLi Mn O\n3 4 8\ndirect\n0.144830 0.144830 0.065508 Li\n-0.000000 -0.000000 0.500000 Li\n0.855169 0.855169 0.934491 Li\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.724597 0.256322 0.262758 O\n0.256322 0.256322 0.262758 O\n0.256322 0.724597 0.262758 O\n0.266726 0.266726 0.699820 O\n0.743677 0.275403 0.737241 O\n0.733273 0.733273 0.300179 O\n0.743677 0.743677 0.737241 O\n0.275403 0.743677 0.737241 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.520527191847885,
"density_atomic": 0.11079261605933959,
"volume": 135.38808391315652,
"volume_molar": 5.435507323678134,
"formula_full": "Li3 Mn4 O8",
"formula_reduced": "Li3Mn4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 3.042294464367816,
"spacegroup": 166
},
{
"id": "jvasp-20866",
"created_at": "2022-09-04T14:37:19.392576Z",
"updated_at": "2022-09-04T14:37:19.392644Z",
"structure_string": "Be12 Si6 O24\n1.0\n7.386635 0.001189 -2.399388\n-3.302516 6.607251 -2.399388\n0.000735 0.001189 7.766559\nBe Si O\n12 6 24\ndirect\n0.127330 0.897993 0.721512 Be\n0.794228 0.568751 0.390139 Be\n0.568751 0.390140 0.794228 Be\n0.390139 0.794228 0.568751 Be\n0.431249 0.609860 0.205772 Be\n0.609860 0.205772 0.431249 Be\n0.205772 0.431249 0.609860 Be\n0.102006 0.278487 0.872669 Be\n0.872670 0.102007 0.278487 Be\n0.721513 0.127331 0.897993 Be\n0.897993 0.721513 0.127330 Be\n0.278487 0.872669 0.102006 Be\n0.461641 0.233994 0.054570 Si\n0.538358 0.766006 0.945430 Si\n0.054569 0.461641 0.233994 Si\n0.233994 0.054570 0.461641 Si\n0.766005 0.945430 0.538358 Si\n0.945430 0.538359 0.766006 Si\n0.959541 0.662440 0.628684 O\n0.706340 0.375468 0.671113 O\n0.671113 0.706341 0.375467 O\n0.375467 0.671113 0.706340 O\n0.293659 0.624532 0.328887 O\n0.294448 0.996400 0.962486 O\n0.996400 0.962486 0.294449 O\n0.962486 0.294450 0.996400 O\n0.705551 0.003600 0.037514 O\n0.003600 0.037514 0.705551 O\n0.037513 0.705550 0.003600 O\n0.583679 0.250537 0.916037 O\n0.250536 0.916037 0.583679 O\n0.916038 0.583679 0.250536 O\n0.416321 0.749463 0.083962 O\n0.749464 0.083963 0.416321 O\n0.083962 0.416321 0.749463 O\n0.337561 0.371316 0.040459 O\n0.371316 0.040459 0.337561 O\n0.040459 0.337561 0.371315 O\n0.328887 0.293660 0.624532 O\n0.628684 0.959541 0.662439 O\n0.624532 0.328887 0.293659 O\n0.662439 0.628685 0.959541 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Be",
"Si",
"O"
],
"chemical_system": "Be-O-Si",
"density": 2.8935953392388107,
"density_atomic": 0.11078219828020558,
"volume": 379.1222836521787,
"volume_molar": 5.436018470014445,
"formula_full": "Be12 Si6 O24",
"formula_reduced": "Be2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.252660685714285,
"spacegroup": 148
},
{
"id": "jvasp-32416",
"created_at": "2022-09-04T14:38:02.971640Z",
"updated_at": "2022-09-04T14:38:02.971659Z",
"structure_string": "H20 C6 N2 Cl2 O8\n1.0\n5.418339 -0.096890 0.000000\n-1.682744 7.404524 0.000000\n0.000000 0.000000 8.585027\nH C N Cl O\n20 6 2 2 8\ndirect\n0.947020 0.733653 0.496581 H\n0.141002 0.613903 0.388518 H\n0.052798 0.266291 0.505312 H\n0.293266 0.081602 0.855806 H\n0.770026 0.142641 0.900306 H\n0.052981 0.266347 0.996581 H\n0.769914 0.142622 0.601678 H\n0.230087 0.857377 0.101677 H\n0.706728 0.918396 0.146081 H\n0.293273 0.081604 0.646081 H\n0.858918 0.386078 0.613423 H\n0.141083 0.613921 0.113423 H\n0.238525 0.359438 0.750928 H\n0.858999 0.386096 0.888518 H\n0.706735 0.918398 0.355806 H\n0.761476 0.640562 0.250928 H\n0.984090 0.036367 0.250942 H\n0.015911 0.963632 0.750942 H\n0.229974 0.857358 0.400306 H\n0.947202 0.733709 0.005312 H\n0.070441 0.737387 0.394997 C\n0.821994 0.918277 0.250943 C\n0.929560 0.262612 0.894997 C\n0.929459 0.262589 0.606934 C\n0.178007 0.081722 0.750944 C\n0.070542 0.737411 0.106934 C\n0.079875 0.249911 0.750946 N\n0.920126 0.750089 0.250946 N\n0.476163 0.703747 0.750921 Cl\n0.523838 0.296252 0.250921 Cl\n0.580022 0.805498 0.612541 O\n0.200186 0.669949 0.750929 O\n0.419979 0.194502 0.112541 O\n0.419964 0.194493 0.389291 O\n0.799814 0.330051 0.250929 O\n0.545797 0.527745 0.750923 O\n0.580037 0.805506 0.889291 O\n0.454204 0.472254 0.250923 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-N-O",
"density": 1.5448651480692648,
"density_atomic": 0.11077636243552737,
"volume": 343.03346999786413,
"volume_molar": 5.436304846627301,
"formula_full": "H20 C6 N2 Cl2 O8",
"formula_reduced": "H10C3NClO4",
"formula_anonymous": "ABC3D4E10",
"energy_above_hull": 3.8872827009210527,
"spacegroup": 11
},
{
"id": "jvasp-11792",
"created_at": "2022-09-04T14:37:17.297451Z",
"updated_at": "2022-09-04T14:37:17.297471Z",
"structure_string": "Ni2 C2 O6\n1.0\n4.191576 -0.014090 3.647125\n1.652565 3.852082 3.647125\n-0.021455 -0.014090 5.556110\nNi C O\n2 2 6\ndirect\n0.500002 0.500000 0.499998 Ni\n0.000000 0.000000 0.000000 Ni\n0.750003 0.750000 0.749997 C\n0.250001 0.250000 0.249999 C\n0.470131 0.029871 0.749999 O\n0.750001 0.470129 0.029869 O\n0.970131 0.250000 0.529868 O\n0.529873 0.970129 0.249998 O\n0.250002 0.529870 0.970128 O\n0.029872 0.750000 0.470128 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ni",
"C",
"O"
],
"chemical_system": "C-Ni-O",
"density": 4.366973416064597,
"density_atomic": 0.11077514342943337,
"volume": 90.27295917129874,
"volume_molar": 5.436364669512939,
"formula_full": "Ni2 C2 O6",
"formula_reduced": "NiCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.80983058,
"spacegroup": 167
}
]
}