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=56",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=54",
"results": [
{
"id": "jvasp-51400",
"created_at": "2022-09-04T14:37:00.754896Z",
"updated_at": "2022-09-04T14:37:00.754923Z",
"structure_string": "H8 N4 O6\n1.0\n4.971147 0.000000 0.000000\n0.000000 5.123460 0.000000\n0.000000 0.000000 5.743139\nH N O\n8 4 6\ndirect\n0.809247 0.000000 0.149734 H\n0.809247 0.000000 0.850266 H\n0.190754 0.500000 0.350266 H\n0.190754 0.500000 0.649734 H\n0.048197 0.164646 0.000000 H\n0.048197 0.835354 0.000000 H\n0.951804 0.335354 0.500000 H\n0.951804 0.664646 0.500000 H\n0.504325 0.500000 0.000000 N\n0.495676 0.000000 0.500000 N\n0.926550 0.000000 0.000000 N\n0.073450 0.500000 0.500000 N\n0.626611 0.500000 0.191225 O\n0.756879 0.000000 0.500000 O\n0.243122 0.500000 0.000000 O\n0.373390 0.000000 0.308775 O\n0.373390 0.000000 0.691225 O\n0.626611 0.500000 0.808775 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.8173355442752959,
"density_atomic": 0.12305612125232158,
"volume": 146.27472259662508,
"volume_molar": 4.893816495037939,
"formula_full": "H8 N4 O6",
"formula_reduced": "H4N2O3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.603137444444444,
"spacegroup": 59
},
{
"id": "jvasp-34634",
"created_at": "2022-09-04T14:37:18.988090Z",
"updated_at": "2022-09-04T14:37:18.988120Z",
"structure_string": "Li4 C2 O6\n1.0\n2.305243 -3.992799 -0.000000\n2.305243 3.992799 -0.000000\n-0.000000 0.000000 5.297451\nLi C O\n4 2 6\ndirect\n0.333332 0.666666 0.000000 Li\n0.666666 0.333332 0.000000 Li\n0.333332 0.666666 0.500000 Li\n0.666666 0.333332 0.500000 Li\n0.000000 0.000000 0.750000 C\n0.000000 0.000000 0.250000 C\n0.717868 0.717868 0.250000 O\n0.282131 0.282131 0.750000 O\n-0.000000 0.282131 0.250000 O\n-0.000001 0.717868 0.750000 O\n0.282131 -0.000000 0.250000 O\n0.717868 -0.000001 0.750000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.5163957643212296,
"density_atomic": 0.12305241516219584,
"volume": 97.51941873048779,
"volume_molar": 4.893963886903149,
"formula_full": "Li4 C2 O6",
"formula_reduced": "Li2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.3787734166666668,
"spacegroup": 193
},
{
"id": "jvasp-85382",
"created_at": "2022-09-04T14:35:58.490524Z",
"updated_at": "2022-09-04T14:35:58.490549Z",
"structure_string": "Li4 C1 O4\n1.0\n4.311681 -0.710439 -1.440538\n-1.702752 4.227296 -0.293785\n-0.739699 0.369447 4.491332\nLi C O\n4 1 4\ndirect\n0.163649 0.156281 0.156281 Li\n0.906560 0.588249 0.148014 Li\n0.725844 0.585916 0.585914 Li\n0.906559 0.148016 0.588248 Li\n0.402606 0.868072 0.868069 C\n0.669958 0.832761 0.832758 O\n0.579804 0.136558 0.136557 O\n0.161825 0.928309 0.557763 O\n0.161825 0.557765 0.928306 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.35585444252788,
"density_atomic": 0.12304399498796252,
"volume": 73.14456915089986,
"volume_molar": 4.894298791736363,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.2184071111111114,
"spacegroup": 8
},
{
"id": "jvasp-97715",
"created_at": "2022-09-04T14:36:01.940025Z",
"updated_at": "2022-09-04T14:36:01.940045Z",
"structure_string": "Li4 B4 H60 C20 N4 O12\n1.0\n8.791259 0.000000 -2.777034\n0.000000 9.615205 0.000000\n0.034519 0.000000 9.988483\nLi B H C N O\n4 4 60 20 4 12\ndirect\n0.852451 0.677269 0.815270 Li\n0.647549 0.177269 0.184731 Li\n0.147549 0.322731 0.184730 Li\n0.352451 0.822731 0.815270 Li\n0.408296 0.337422 0.221972 B\n0.091704 0.837422 0.778028 B\n0.908296 0.162578 0.221972 B\n0.591704 0.662578 0.778028 B\n0.839505 0.102067 0.296088 H\n0.340361 0.227960 0.178387 H\n0.476354 0.368101 0.951885 H\n0.034394 0.210501 0.510208 H\n0.023646 0.868101 0.048115 H\n0.199204 0.300739 0.494843 H\n0.147971 0.524518 0.962397 H\n0.837193 0.594102 0.175574 H\n0.337982 0.508800 0.746841 H\n0.965606 0.789499 0.489793 H\n0.259809 0.083576 0.658425 H\n0.486002 0.867728 0.589213 H\n0.159639 0.727960 0.821613 H\n0.385559 0.495363 0.586802 H\n0.699204 0.199261 0.494844 H\n0.840361 0.272040 0.178387 H\n0.594711 0.586468 0.877544 H\n0.852029 0.475482 0.037603 H\n0.939833 0.344616 0.648642 H\n0.780903 0.411585 0.407510 H\n0.523646 0.631898 0.048115 H\n0.013999 0.367729 0.410787 H\n0.162018 0.008801 0.253159 H\n0.565423 0.319249 0.818135 H\n0.300796 0.800738 0.505156 H\n0.647971 0.975481 0.962397 H\n0.434577 0.680751 0.181865 H\n0.614442 0.504637 0.413198 H\n0.534394 0.289499 0.510208 H\n0.280903 0.088415 0.407510 H\n0.060167 0.655384 0.351358 H\n0.662807 0.094102 0.824427 H\n0.240191 0.583575 0.341575 H\n0.740191 0.916424 0.341575 H\n0.759809 0.416424 0.658426 H\n0.339505 0.397933 0.296087 H\n0.465606 0.710500 0.489792 H\n0.986002 0.632271 0.589213 H\n0.094711 0.913531 0.877544 H\n0.885559 0.004637 0.586802 H\n0.560167 0.844615 0.351358 H\n0.065423 0.180751 0.818135 H\n0.352029 0.024518 0.037603 H\n0.976354 0.131898 0.951886 H\n0.513999 0.132271 0.410787 H\n0.934577 0.819248 0.181865 H\n0.837982 0.991199 0.746841 H\n0.405290 0.413531 0.122456 H\n0.219097 0.588414 0.592490 H\n0.114442 -0.004637 0.413198 H\n0.719097 0.911585 0.592491 H\n0.439833 0.155384 0.648642 H\n0.660495 0.602066 0.703913 H\n0.659639 0.772039 0.821614 H\n0.662018 0.491199 0.253160 H\n0.337193 0.905898 0.175573 H\n0.162807 0.405898 0.824427 H\n0.800796 0.699261 0.505157 H\n0.905290 0.086468 0.122457 H\n0.160495 0.897933 0.703913 H\n0.162079 0.065571 0.348232 C\n0.004340 0.785062 0.115318 C\n0.871629 0.377144 0.717330 C\n0.094422 0.440151 0.891840 C\n0.837921 0.934429 0.651769 C\n0.337921 0.565570 0.651768 C\n0.995660 0.214937 0.884683 C\n0.504340 0.714937 0.115318 C\n0.495660 0.285063 0.884682 C\n0.405578 0.940150 0.108160 C\n0.662079 0.434429 0.348232 C\n0.918849 0.728147 0.562128 C\n0.905578 0.559849 0.108161 C\n0.418849 0.771853 0.562128 C\n0.581151 0.228147 0.437872 C\n0.628371 0.877143 0.282670 C\n0.081151 0.271853 0.437872 C\n0.594422 0.059849 0.891840 C\n0.371629 0.122856 0.717330 C\n0.128371 0.622856 0.282670 C\n0.573457 0.306481 0.310269 N\n0.073457 0.193519 0.310269 N\n0.926543 0.806481 0.689731 N\n0.426543 0.693518 0.689731 N\n0.148988 0.737033 0.199988 O\n0.449274 0.011752 0.806059 O\n0.648988 0.762967 0.199988 O\n0.572894 0.174950 0.974836 O\n0.550726 0.988247 0.193941 O\n0.072894 0.325050 0.974836 O\n0.949275 0.488248 0.806059 O\n0.427106 0.825050 0.025164 O\n0.851012 0.262967 0.800012 O\n0.351012 0.237033 0.800012 O\n0.927106 0.674949 0.025164 O\n0.050726 0.511752 0.193941 O\n",
"nsites": 104,
"nelements": 6,
"elements": [
"Li",
"B",
"H",
"C",
"N",
"O"
],
"chemical_system": "B-C-H-Li-N-O",
"density": 1.2174754299368726,
"density_atomic": 0.12304113725909664,
"volume": 845.2457634636428,
"volume_molar": 4.8944124657420405,
"formula_full": "Li4 B4 H60 C20 N4 O12",
"formula_reduced": "LiBH15C5NO3",
"formula_anonymous": "ABCD3E5F15",
"energy_above_hull": 4.234093705128205,
"spacegroup": 14
},
{
"id": "jvasp-116032",
"created_at": "2022-09-04T14:38:40.354407Z",
"updated_at": "2022-09-04T14:38:40.354422Z",
"structure_string": "N1 O1 F1\n1.0\n3.537546 0.000000 -0.000000\n-1.768773 3.063605 -0.000000\n-0.000000 -0.000000 2.249761\nN O F\n1 1 1\ndirect\n0.333333 0.666667 0.000000 N\n0.666667 0.333333 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"N",
"O",
"F"
],
"chemical_system": "F-N-O",
"density": 3.3374428587540352,
"density_atomic": 0.12304104338406534,
"volume": 24.382107933168914,
"volume_molar": 4.894416199968529,
"formula_full": "N1 O1 F1",
"formula_reduced": "NOF",
"formula_anonymous": "ABC",
"energy_above_hull": 2.897469010833333,
"spacegroup": 187
},
{
"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-112131",
"created_at": "2022-09-04T14:38:45.238593Z",
"updated_at": "2022-09-04T14:38:45.238616Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n4.059626 0.197397 0.225366\n1.183243 4.322020 0.477735\n0.282658 -0.038433 14.570928\nZn H C O\n1 16 10 4\ndirect\n0.138119 0.875514 0.837508 Zn\n0.068981 0.797760 0.477366 H\n0.831884 0.335146 0.073895 H\n0.437456 0.351930 0.025885 H\n0.558247 0.319518 0.234335 H\n0.150669 0.347434 0.194361 H\n0.318564 0.296864 0.398295 H\n0.902987 0.336785 0.361345 H\n0.128822 0.278178 0.565631 H\n0.716807 0.289334 0.532602 H\n0.519653 0.846443 0.145234 H\n0.130545 0.847389 0.099154 H\n0.296516 0.817339 0.310999 H\n0.886343 0.849310 0.271595 H\n0.835931 0.789196 0.642692 H\n0.431915 0.750991 0.622275 H\n0.652356 0.821394 0.444458 H\n0.658719 0.691114 0.964150 C\n0.584242 0.495597 0.049379 C\n0.377561 0.692024 0.126059 C\n0.310090 0.488999 0.212052 C\n0.134549 0.678193 0.293078 C\n0.871062 0.438405 0.548048 C\n0.907880 0.654410 0.461988 C\n0.705198 0.615510 0.632028 C\n0.728777 0.411787 0.722910 C\n0.070008 0.472013 0.378673 C\n0.959142 0.596554 0.925271 O\n0.513137 0.495979 0.788934 O\n0.986223 0.155228 0.728629 O\n0.424977 0.939443 0.933727 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7499324360913762,
"density_atomic": 0.12298137931096975,
"volume": 252.07068072975213,
"volume_molar": 4.896790712334152,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538685625806452,
"spacegroup": 1
},
{
"id": "jvasp-106890",
"created_at": "2022-09-04T14:36:46.905410Z",
"updated_at": "2022-09-04T14:36:46.905425Z",
"structure_string": "Li2 Fe1 Co1 O4\n1.0\n2.820536 0.000000 0.000000\n-0.000000 4.678587 1.646248\n-0.000000 0.008707 4.933075\nLi Fe Co O\n2 1 1 4\ndirect\n0.500001 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500001 0.500000 Fe\n0.500001 0.000000 0.500000 Co\n0.000000 0.241779 0.279439 O\n0.500001 0.742995 0.277537 O\n0.500001 0.257006 0.722464 O\n0.000000 0.758222 0.720562 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.9174665335345615,
"density_atomic": 0.12296902145181614,
"volume": 65.05703554886544,
"volume_molar": 4.897282818794895,
"formula_full": "Li2 Fe1 Co1 O4",
"formula_reduced": "Li2FeCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.36658505,
"spacegroup": 10
},
{
"id": "jvasp-101835",
"created_at": "2022-09-04T14:36:58.358836Z",
"updated_at": "2022-09-04T14:36:58.358864Z",
"structure_string": "H6 C2 N2 O4\n1.0\n4.127613 -0.093013 -0.050437\n-0.446774 4.553132 -0.161613\n0.258436 0.162783 6.062473\nH C N O\n6 2 2 4\ndirect\n0.383522 0.965164 0.242881 H\n0.883533 0.465160 0.742911 H\n0.218023 0.157751 0.657655 H\n0.718009 0.657769 0.157683 H\n0.069702 0.078499 0.066162 H\n0.569721 0.578470 0.566175 H\n0.188358 0.105666 0.225812 C\n0.688373 0.605658 0.725825 C\n0.099242 0.961012 0.599222 N\n0.599239 0.461029 0.099241 N\n0.947605 0.056564 0.389227 O\n0.447616 0.556581 0.889242 O\n0.834571 0.912697 0.747341 O\n0.334557 0.412700 0.247350 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.7804353160207698,
"density_atomic": 0.1229590433227287,
"volume": 113.85905112529558,
"volume_molar": 4.897680233404047,
"formula_full": "H6 C2 N2 O4",
"formula_reduced": "H3CNO2",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 3.8481114642857146,
"spacegroup": 1
},
{
"id": "jvasp-114897",
"created_at": "2022-09-04T14:38:43.212280Z",
"updated_at": "2022-09-04T14:38:43.212297Z",
"structure_string": "Al1 B1 O4\n1.0\n2.648140 -3.158786 0.000000\n2.648140 3.158786 0.000000\n0.000000 0.000000 2.916843\nAl B O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 B\n0.733043 0.733043 0.000000 O\n0.796355 0.203645 0.500000 O\n0.203645 0.796355 0.500000 O\n0.266958 0.266958 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O",
"density": 3.46378245393001,
"density_atomic": 0.12295524376146173,
"volume": 48.79824411263214,
"volume_molar": 4.897831581451868,
"formula_full": "Al1 B1 O4",
"formula_reduced": "AlBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6353765638888893,
"spacegroup": 65
},
{
"id": "jvasp-101917",
"created_at": "2022-09-04T14:36:44.244400Z",
"updated_at": "2022-09-04T14:36:44.244435Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n3.853920 -0.142091 -0.218260\n-1.699537 4.401783 0.151843\n0.373838 0.213919 12.141012\nZn H C O\n1 12 8 4\ndirect\n0.121654 0.099280 0.830724 Zn\n0.399121 0.442282 0.499909 H\n0.627706 0.325935 0.112396 H\n0.182868 0.290270 0.064787 H\n0.502161 0.398338 0.304386 H\n0.037709 0.340736 0.265231 H\n0.594036 0.921417 0.377628 H\n0.922703 0.366104 0.472391 H\n0.754964 0.867061 0.178140 H\n0.291544 0.812670 0.137067 H\n0.468378 0.973221 0.575022 H\n-0.021771 0.845375 0.565078 H\n0.116760 0.842450 0.346473 H\n0.642667 0.595677 0.970292 C\n0.469419 0.463201 0.080683 C\n0.467650 0.689394 0.166829 C\n0.323240 0.522288 0.277120 C\n0.203607 0.555756 0.479672 C\n0.207247 0.761438 0.574148 C\n0.178761 0.611514 0.688082 C\n0.313140 0.731093 0.369080 C\n0.599094 0.413175 0.891997 O\n0.278990 0.781079 0.771347 O\n0.065404 0.317439 0.694706 O\n0.840377 0.885733 0.962260 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9402633478783067,
"density_atomic": 0.12294986036753638,
"volume": 203.3349198223326,
"volume_molar": 4.898046034373605,
"formula_full": "Zn1 H12 C8 O4",
"formula_reduced": "ZnH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.438012176,
"spacegroup": 1
},
{
"id": "jvasp-29781",
"created_at": "2022-09-04T14:38:02.080136Z",
"updated_at": "2022-09-04T14:38:02.080165Z",
"structure_string": "Al2 H2 O4\n1.0\n1.446400 6.032243 0.000000\n-1.446400 6.032243 0.000000\n0.000000 0.000000 3.728927\nAl H O\n2 2 4\ndirect\n0.680503 0.680503 0.249858 Al\n0.319497 0.319497 0.749859 Al\n0.019234 0.019234 0.441038 H\n0.980765 0.980765 0.941038 H\n0.290816 0.290816 0.250543 O\n0.709183 0.709183 0.750543 O\n0.077672 0.077672 0.247277 O\n0.922327 0.922327 0.747277 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.0617122694065926,
"density_atomic": 0.12294443307701343,
"volume": 65.07004668514541,
"volume_molar": 4.898262254971463,
"formula_full": "Al2 H2 O4",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.64766745,
"spacegroup": 36
}
]
}