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=-volume_molar&page=4506",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4504",
"results": [
{
"id": "jvasp-88338",
"created_at": "2022-09-04T14:35:42.196510Z",
"updated_at": "2022-09-04T14:35:42.196536Z",
"structure_string": "P4 H32 C8 N4 O16\n1.0\n-5.287343 5.287343 5.063998\n5.287343 -5.287343 5.063998\n5.287343 5.287343 -5.063998\nP H C N O\n4 32 8 4 16\ndirect\n0.946682 0.311270 0.745488 P\n0.565782 0.201194 0.254511 P\n0.798806 0.053318 0.364588 P\n0.688730 0.434218 0.635411 P\n0.760981 0.642234 0.159701 H\n0.482533 0.601281 0.840299 H\n0.486117 0.502861 0.304267 H\n0.198594 0.181849 0.695733 H\n0.818151 0.513883 0.016745 H\n0.497139 0.801405 0.983255 H\n0.130791 0.035702 0.879276 H\n0.398718 0.239019 0.881252 H\n0.964298 0.843575 0.095089 H\n0.089716 0.415632 0.170617 H\n0.245016 0.919098 0.829383 H\n0.080902 0.910284 0.325917 H\n0.584368 0.754984 0.674083 H\n0.156425 0.251514 0.120723 H\n0.357766 0.517467 0.118747 H\n0.748486 0.869209 0.904911 H\n0.251777 0.768370 0.265787 H\n0.548101 0.793941 0.394190 H\n0.399750 0.153910 0.605809 H\n0.846089 0.451899 0.245840 H\n0.206059 0.600249 0.754160 H\n0.316819 0.361038 0.446921 H\n0.502583 0.985989 0.734212 H\n0.130103 0.683181 0.044220 H\n0.914117 0.869897 0.553078 H\n0.086198 0.267119 0.348318 H\n0.918800 0.737880 0.651681 H\n0.262120 0.913802 0.180919 H\n0.732881 0.081200 0.819080 H\n0.231630 0.497417 0.483406 H\n0.014011 0.748223 0.516593 H\n0.638961 0.085883 0.955780 H\n0.612742 0.832384 0.810852 C\n0.021532 0.801889 0.189147 C\n0.198111 0.387258 0.219642 C\n0.167616 0.978468 0.780358 C\n0.873421 0.623790 0.152535 C\n0.279114 0.126579 0.750368 C\n0.376211 0.528745 0.249631 C\n0.471255 0.720885 0.847465 C\n0.210754 0.380046 0.385837 N\n0.994211 0.824917 0.614162 N\n0.175083 0.789246 0.169294 N\n0.619953 0.005789 0.830706 N\n0.336474 0.053450 0.628487 O\n0.424963 0.707988 0.371513 O\n0.827961 0.632686 0.757237 O\n0.875448 0.070722 0.242762 O\n0.367314 0.124552 0.195274 O\n0.929278 0.172039 0.804725 O\n0.495868 0.356723 0.602636 O\n0.755561 0.308755 0.696640 O\n0.643277 0.245914 0.139145 O\n0.106768 0.504131 0.860854 O\n0.612114 0.058921 0.303359 O\n0.691245 0.387886 0.446806 O\n0.941079 0.244439 0.553193 O\n0.946550 0.575037 0.283023 O\n0.754087 0.893232 0.397363 O\n0.292012 0.663525 0.716976 O\n",
"nsites": 64,
"nelements": 5,
"elements": [
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-P",
"density": 1.6546024486005346,
"density_atomic": 0.11301900707877015,
"volume": 566.2764313209221,
"volume_molar": 5.3284318413829155,
"formula_full": "P4 H32 C8 N4 O16",
"formula_reduced": "PH8C2NO4",
"formula_anonymous": "ABC2D4E8",
"energy_above_hull": 3.879463296875,
"spacegroup": 82
},
{
"id": "jvasp-104138",
"created_at": "2022-09-04T14:36:32.926348Z",
"updated_at": "2022-09-04T14:36:32.926381Z",
"structure_string": "H20 C28 O2\n1.0\n5.800296 -0.017765 -1.532290\n-3.200717 6.410135 -0.452043\n0.051199 -0.183795 11.939579\nH C O\n20 28 2\ndirect\n0.693264 0.545686 0.766372 H\n0.302667 0.720294 0.165827 H\n0.302660 0.220291 0.665825 H\n0.550933 0.967797 0.912420 H\n0.829186 0.152940 0.786354 H\n0.829186 0.652937 0.286351 H\n0.083123 0.905042 0.039572 H\n0.083118 0.405042 0.539571 H\n0.680765 0.583147 0.931845 H\n0.680760 0.083145 0.431845 H\n0.550937 0.467798 0.412421 H\n0.793773 0.327502 0.185722 H\n0.089144 0.488891 0.912466 H\n0.089137 0.988885 0.412466 H\n0.100473 0.384309 0.039702 H\n0.100469 0.884304 0.539702 H\n0.578266 0.289725 0.020239 H\n0.578265 0.789726 0.520241 H\n0.693273 0.045687 0.266373 H\n0.793766 0.827504 0.685725 H\n0.170967 0.373780 0.291516 C\n0.170961 0.873780 0.791516 C\n0.462412 0.125725 0.541693 C\n0.462417 0.625728 0.041694 C\n0.694954 0.444571 0.694411 C\n0.694961 0.944573 0.194412 C\n0.472429 0.759440 0.136956 C\n0.408355 0.190686 0.945234 C\n0.472422 0.259438 0.636955 C\n0.392802 0.508947 0.385875 C\n0.392799 0.008946 0.885875 C\n0.207572 0.247338 0.910437 C\n0.408355 0.690686 0.445234 C\n0.207571 0.747336 0.410437 C\n0.910465 0.363982 0.566159 C\n0.918214 0.499236 0.660520 C\n0.968525 0.928547 0.757678 C\n0.968530 0.428546 0.257676 C\n0.684957 0.682265 0.006851 C\n0.684952 0.182264 0.506851 C\n0.988623 0.113703 0.815183 C\n0.988625 0.613702 0.315181 C\n0.910471 0.863983 0.066159 C\n0.207791 0.436566 0.976078 C\n0.207786 0.936562 0.476077 C\n0.167421 0.186494 0.225999 C\n0.167414 0.686494 0.725999 C\n0.918222 0.999237 0.160521 C\n0.374524 0.686471 0.725975 O\n0.374532 0.186472 0.225976 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4581886564203395,
"density_atomic": 0.11302940641379838,
"volume": 442.36275838653,
"volume_molar": 5.327941595971108,
"formula_full": "H20 C28 O2",
"formula_reduced": "H10C14O",
"formula_anonymous": "AB10C14",
"energy_above_hull": 5.752404940000001,
"spacegroup": 5
},
{
"id": "jvasp-49561",
"created_at": "2022-09-04T14:37:15.931345Z",
"updated_at": "2022-09-04T14:37:15.931374Z",
"structure_string": "Zn4 Co8 O16\n1.0\n0.000000 8.750847 -0.000122\n2.824025 0.000000 0.000000\n0.000000 0.000011 -10.023886\nZn Co O\n4 8 16\ndirect\n0.762494 0.500001 0.338684 Zn\n0.237504 0.000000 0.661318 Zn\n0.262495 0.500001 0.161316 Zn\n0.737505 0.000000 0.838682 Zn\n0.048923 0.000000 0.882116 Co\n0.951078 0.500001 0.117890 Co\n0.451076 0.500001 0.382110 Co\n0.548922 0.000000 0.617884 Co\n0.096314 0.000000 0.402779 Co\n0.903684 0.500001 0.597226 Co\n0.596316 0.000000 0.097221 Co\n0.403687 0.500001 0.902775 Co\n0.387110 0.000000 0.041535 O\n0.809458 0.000000 0.164940 O\n0.190543 0.500001 0.835063 O\n0.112892 0.500001 0.541539 O\n0.887107 0.000000 0.458468 O\n0.612894 0.500001 0.958459 O\n0.564546 0.500001 0.216565 O\n0.909597 0.500001 0.932480 O\n0.064546 0.500001 0.283435 O\n0.935450 0.000000 0.716573 O\n0.409594 0.500001 0.567522 O\n0.590406 0.000000 0.432472 O\n0.309457 0.000000 0.335061 O\n0.090408 0.000000 0.067527 O\n0.435452 0.000000 0.783429 O\n0.690540 0.500001 0.664936 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Zn",
"density": 6.630267073083504,
"density_atomic": 0.11303248738574452,
"volume": 247.71639240712062,
"volume_molar": 5.32779637012527,
"formula_full": "Zn4 Co8 O16",
"formula_reduced": "Zn(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.208002314285714,
"spacegroup": 62
},
{
"id": "jvasp-99555",
"created_at": "2022-09-04T14:36:38.358620Z",
"updated_at": "2022-09-04T14:36:38.358631Z",
"structure_string": "Mn2 Co2 B2\n1.0\n4.034219 0.006939 3.023897\n2.430763 3.220437 1.066309\n-0.000603 0.001209 4.090206\nMn Co B\n2 2 2\ndirect\n0.338964 0.661036 0.338966 Mn\n0.661036 0.338965 0.661036 Mn\n0.165678 0.165678 0.834323 Co\n0.834322 0.834324 0.165679 Co\n0.750000 0.750001 0.750002 B\n0.250000 0.250000 0.250001 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Co",
"B"
],
"chemical_system": "B-Co-Mn",
"density": 7.800999591925106,
"density_atomic": 0.11303626954611272,
"volume": 53.08030797630244,
"volume_molar": 5.327618103624067,
"formula_full": "Mn2 Co2 B2",
"formula_reduced": "MnCoB",
"formula_anonymous": "ABC",
"energy_above_hull": 3.4626002415708816,
"spacegroup": 69
},
{
"id": "jvasp-23528",
"created_at": "2022-09-04T14:37:33.093941Z",
"updated_at": "2022-09-04T14:37:33.093968Z",
"structure_string": "Sc4 Ni4 B16\n1.0\n3.272956 0.000000 0.000000\n0.000000 5.783416 -0.000000\n0.000000 0.000000 11.216229\nSc Ni B\n4 4 16\ndirect\n0.000000 0.126934 0.150545 Sc\n0.000000 0.873067 0.849455 Sc\n0.000000 0.626934 0.349455 Sc\n0.000000 0.373067 0.650545 Sc\n0.000000 0.135318 0.410937 Ni\n0.000000 0.864683 0.589063 Ni\n0.000000 0.635318 0.089063 Ni\n0.000000 0.364682 0.910937 Ni\n0.500001 0.633989 0.532134 B\n0.500001 0.366012 0.467867 B\n0.500001 0.210634 0.813571 B\n0.500001 0.789366 0.186429 B\n0.500001 0.710635 0.686429 B\n0.500001 0.289366 0.313571 B\n0.500001 0.383817 0.049183 B\n0.500001 0.478075 0.194001 B\n0.500001 0.883818 0.450817 B\n0.500001 0.116183 0.549183 B\n0.500001 0.866012 0.032134 B\n0.500001 0.521926 0.805999 B\n0.500001 0.978075 0.305999 B\n0.500001 0.021926 0.694001 B\n0.500001 0.616183 0.950817 B\n0.500001 0.133989 0.967867 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"B"
],
"chemical_system": "B-Ni-Sc",
"density": 4.595572744699494,
"density_atomic": 0.11304198499233453,
"volume": 212.31049686209474,
"volume_molar": 5.327348737204471,
"formula_full": "Sc4 Ni4 B16",
"formula_reduced": "ScNiB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.888224663888889,
"spacegroup": 55
},
{
"id": "jvasp-119723",
"created_at": "2022-09-04T14:38:36.922497Z",
"updated_at": "2022-09-04T14:38:36.922517Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n4.804819 -0.064564 1.672927\n1.771828 4.737695 0.626964\n-0.093454 -0.062438 7.700556\nLi Ti Co O\n4 2 4 10\ndirect\n0.104181 0.496182 0.793931 Li\n0.199441 -0.000537 0.598820 Li\n0.506685 0.512616 0.001400 Li\n0.795709 -0.002376 0.404886 Li\n0.683518 0.506008 0.611066 Ti\n-0.009148 0.003173 0.997980 Ti\n0.923609 0.486850 0.203030 Co\n0.608086 0.000505 0.791737 Co\n0.297037 0.495517 0.389644 Co\n0.383286 0.015970 0.216579 Co\n0.933672 0.732942 0.598207 O\n0.149867 0.762743 0.185722 O\n0.036471 0.254003 0.417135 O\n0.346218 0.748726 0.798493 O\n0.547609 0.734970 0.407927 O\n0.668890 0.244439 0.185686 O\n0.250979 0.228423 -0.004704 O\n0.464542 0.264166 0.595850 O\n0.757933 0.762076 0.005752 O\n0.851427 0.253604 0.800860 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.8732925304778885,
"density_atomic": 0.11304411778396384,
"volume": 176.92207601833442,
"volume_molar": 5.327248226669151,
"formula_full": "Li4 Ti2 Co4 O10",
"formula_reduced": "Li2TiCo2O5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.6543847633333337,
"spacegroup": 1
},
{
"id": "jvasp-8008",
"created_at": "2022-09-04T14:37:04.647311Z",
"updated_at": "2022-09-04T14:37:04.647325Z",
"structure_string": "Ni4 B2\n1.0\n3.970330 0.016132 -1.102886\n-2.290246 3.243232 -1.102886\n-0.008315 -0.016132 4.120657\nNi B\n4 2\ndirect\n0.919663 0.580335 -0.000002 Ni\n0.080335 0.080336 0.660672 Ni\n0.580335 0.919663 -0.000002 Ni\n0.419663 0.419664 0.339327 Ni\n0.499999 0.000000 0.500000 B\n-0.000001 0.500000 0.500000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"B"
],
"chemical_system": "B-Ni",
"density": 8.02225400959878,
"density_atomic": 0.11305453652474586,
"volume": 53.071731435444825,
"volume_molar": 5.326757284686094,
"formula_full": "Ni4 B2",
"formula_reduced": "Ni2B",
"formula_anonymous": "AB2",
"energy_above_hull": 1.855992461111111,
"spacegroup": 140
},
{
"id": "jvasp-29635",
"created_at": "2022-09-04T14:37:13.360959Z",
"updated_at": "2022-09-04T14:37:13.360976Z",
"structure_string": "C3 N4\n1.0\n3.924742 0.014574 1.409790\n0.996341 3.796197 1.409790\n0.018821 0.014574 4.170221\nC N\n3 4\ndirect\n0.509658 0.509657 0.981214 C\n0.509658 0.981213 0.509659 C\n0.981213 0.509657 0.509659 C\n0.341745 0.829165 0.829166 N\n0.829165 0.829165 0.341745 N\n0.334394 0.334394 0.334394 N\n0.829165 0.341744 0.829166 N\n",
"nsites": 7,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.4691296420529913,
"density_atomic": 0.11306470515060539,
"volume": 61.911451417803654,
"volume_molar": 5.326278215627359,
"formula_full": "C3 N4",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 6.358706142857142,
"spacegroup": 160
},
{
"id": "jvasp-48902",
"created_at": "2022-09-04T14:36:05.849184Z",
"updated_at": "2022-09-04T14:36:05.849207Z",
"structure_string": "Li2 Co3 O6\n1.0\n4.240848 -2.448454 -0.002021\n4.236182 2.440372 -0.001011\n-1.415295 0.817122 4.695285\nLi Co O\n2 3 6\ndirect\n0.334094 0.331813 0.000000 Li\n0.665906 0.668188 0.000000 Li\n0.500000 0.000000 0.500001 Co\n0.164205 0.671590 0.500001 Co\n0.835794 0.328410 0.500001 Co\n0.244775 -0.000000 0.714152 O\n0.096532 0.339476 0.290588 O\n0.755224 0.000001 0.285849 O\n0.563992 0.339476 0.709413 O\n0.436008 0.660523 0.290588 O\n0.903468 0.660523 0.709414 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.893571770752664,
"density_atomic": 0.11307724182622894,
"volume": 97.27863734865599,
"volume_molar": 5.32568770049636,
"formula_full": "Li2 Co3 O6",
"formula_reduced": "Li2(CoO2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.6880867,
"spacegroup": 12
},
{
"id": "jvasp-91859",
"created_at": "2022-09-04T14:35:59.175416Z",
"updated_at": "2022-09-04T14:35:59.175444Z",
"structure_string": "Li2 Mn2 O4\n1.0\n4.734611 -0.000273 3.347835\n2.305218 2.899248 6.783259\n-0.061955 -0.000118 5.109396\nLi Mn O\n2 2 4\ndirect\n0.248650 0.500737 0.998353 Li\n0.498624 0.000715 0.998453 Li\n0.998719 0.000711 0.998289 Mn\n0.748674 0.500731 0.998293 Mn\n0.233112 0.000715 0.529459 O\n0.764282 0.000736 0.467083 O\n0.514294 0.500726 0.467105 O\n0.983121 0.500707 0.529482 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.407142138007908,
"density_atomic": 0.11308495764291467,
"volume": 70.74327272829146,
"volume_molar": 5.325324327410505,
"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9300060603448277,
"spacegroup": 141
},
{
"id": "jvasp-30509",
"created_at": "2022-09-04T14:37:09.364408Z",
"updated_at": "2022-09-04T14:37:09.364431Z",
"structure_string": "Cu2 H2 O4\n1.0\n0.720839 2.899013 0.000000\n-0.000000 -0.000000 3.969612\n6.148403 0.010325 0.000000\nCu H O\n2 2 4\ndirect\n0.177287 0.459796 0.645422 Cu\n0.822710 0.959796 0.354578 Cu\n0.517690 0.260845 0.964616 H\n0.482307 0.760844 0.035384 H\n0.430363 0.967069 0.139274 O\n0.569634 0.467069 0.860726 O\n0.789822 0.461499 0.420352 O\n0.210175 0.961499 0.579648 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"H",
"O"
],
"chemical_system": "Cu-H-O",
"density": 4.533822653379096,
"density_atomic": 0.1131125567600093,
"volume": 70.72601158661443,
"volume_molar": 5.324024964599788,
"formula_full": "Cu2 H2 O4",
"formula_reduced": "CuHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5709968624999997,
"spacegroup": 36
},
{
"id": "jvasp-29550",
"created_at": "2022-09-04T14:36:40.900640Z",
"updated_at": "2022-09-04T14:36:40.900666Z",
"structure_string": "C6 N8\n1.0\n4.783064 -0.000000 -0.000000\n-2.391532 4.142255 0.000000\n0.000000 0.000000 6.246551\nC N\n6 8\ndirect\n0.490170 0.980340 0.500000 C\n0.490170 0.509829 0.500000 C\n0.824194 0.175805 0.000000 C\n0.824194 0.648390 0.000000 C\n0.019658 0.509829 0.500000 C\n0.351608 0.175805 0.000000 C\n0.504153 0.495846 0.000000 N\n0.170897 0.341794 0.500000 N\n0.170897 0.829102 0.500000 N\n0.000000 0.000000 0.000000 N\n0.666666 0.333333 0.500000 N\n0.991693 0.495846 0.000000 N\n0.658205 0.829102 0.500000 N\n0.504153 0.008306 0.000000 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.4703674787999805,
"density_atomic": 0.11312138732898891,
"volume": 123.76085840676662,
"volume_molar": 5.323609356456984,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 6.358718999999999,
"spacegroup": 187
}
]
}