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=-chemical_system&page=4345",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4343",
"results": [
{
"id": "jvasp-29841",
"created_at": "2022-09-04T14:38:04.456736Z",
"updated_at": "2022-09-04T14:38:04.456752Z",
"structure_string": "Al2 H6 O6\n1.0\n5.067890 -0.034187 -1.057695\n-2.661492 4.303333 0.680767\n-0.948624 0.126294 5.072438\nAl H O\n2 6 6\ndirect\n0.284753 0.625995 0.002365 Al\n0.607413 0.306731 0.000360 Al\n0.516045 -0.004705 0.608929 H\n0.157339 0.345581 0.588082 H\n0.909922 0.831662 0.772611 H\n0.184460 0.893410 0.240433 H\n0.730732 0.579079 0.425666 H\n0.955641 0.097427 0.221883 H\n0.503808 -0.012985 0.796586 O\n0.230955 0.335089 0.797392 O\n0.876674 0.620517 0.785048 O\n0.392084 0.942773 0.230827 O\n0.672879 0.604991 0.216713 O\n0.013811 0.314639 0.226787 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.4488570983840683,
"density_atomic": 0.13234208403003914,
"volume": 105.78645562829634,
"volume_molar": 4.5504351878221065,
"formula_full": "Al2 H6 O6",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.448624757142857,
"spacegroup": 1
},
{
"id": "jvasp-29489",
"created_at": "2022-09-04T14:38:06.714849Z",
"updated_at": "2022-09-04T14:38:06.714877Z",
"structure_string": "Al8 H24 O24\n1.0\n5.075468 0.000000 -0.027961\n0.000000 8.726173 0.000000\n-0.009479 0.000000 9.323782\nAl H O\n8 24 24\ndirect\n0.463619 0.832864 0.503582 Al\n0.029212 0.334991 0.496389 Al\n0.963619 0.667136 0.003583 Al\n0.529212 0.165009 0.996389 Al\n0.036381 0.332864 0.996417 Al\n0.970788 0.665009 0.503611 Al\n0.470788 0.834990 0.003611 Al\n0.536381 0.167136 0.496418 Al\n0.825726 0.204360 0.710052 H\n0.355928 0.598092 0.153338 H\n0.046042 0.505530 0.289396 H\n0.546042 0.994469 0.789396 H\n0.455752 0.419053 0.615151 H\n0.544248 0.580947 0.384849 H\n0.325726 0.295640 0.210052 H\n0.644072 0.401908 0.846662 H\n0.674274 0.704360 0.789948 H\n0.453958 0.005531 0.210604 H\n0.812669 0.958464 0.371010 H\n0.735735 0.765943 0.215647 H\n0.955753 0.080947 0.115151 H\n0.855928 0.901908 0.653338 H\n0.235734 0.734056 0.715647 H\n0.687331 0.458465 0.128990 H\n0.144072 0.098092 0.346662 H\n0.264265 0.234056 0.784353 H\n0.044247 0.919052 0.884848 H\n0.312669 0.541535 0.871010 H\n0.174274 0.795640 0.289948 H\n0.764266 0.265944 0.284353 H\n0.187331 0.041535 0.628990 H\n0.953958 0.494469 0.710604 H\n0.142026 0.827290 0.390556 O\n0.354098 0.323773 0.603988 O\n0.371881 0.012381 0.611861 O\n0.857974 0.172709 0.609444 O\n0.642026 0.672709 0.890556 O\n0.275150 0.696033 0.618223 O\n0.775371 0.807575 0.618094 O\n0.724850 0.303967 0.381777 O\n0.724629 0.307575 0.881906 O\n0.645903 0.676226 0.396012 O\n0.128119 0.512381 0.888139 O\n0.127459 0.510351 0.386220 O\n0.871881 0.487618 0.111861 O\n0.224850 0.196033 0.881777 O\n0.224629 0.192425 0.381906 O\n0.775150 0.803966 0.118223 O\n0.275371 0.692425 0.118094 O\n0.627459 0.989648 0.886220 O\n0.372541 0.010352 0.113779 O\n0.628119 0.987618 0.388139 O\n0.145902 0.823773 0.896012 O\n0.872541 0.489648 0.613779 O\n0.854098 0.176226 0.103988 O\n0.357974 0.327291 0.109444 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.509365422944332,
"density_atomic": 0.1356120983476387,
"volume": 412.9425079497347,
"volume_molar": 4.44071055117986,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4483790428571437,
"spacegroup": 14
},
{
"id": "jvasp-113651",
"created_at": "2022-09-04T14:38:50.723380Z",
"updated_at": "2022-09-04T14:38:50.723402Z",
"structure_string": "Al1 H1 O2\n1.0\n1.437132 0.829729 4.463063\n-1.437132 0.829729 4.463063\n0.000000 -1.659457 4.463063\nAl H O\n1 1 2\ndirect\n0.003875 0.003875 0.003875 Al\n0.514036 0.514036 0.514036 H\n0.403209 0.403209 0.403209 O\n0.592278 0.592278 0.592278 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.119596861920064,
"density_atomic": 0.1252688149209814,
"volume": 31.93133105412683,
"volume_molar": 4.807374256552773,
"formula_full": "Al1 H1 O2",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.64884995,
"spacegroup": 160
},
{
"id": "jvasp-29785",
"created_at": "2022-09-04T14:36:47.239406Z",
"updated_at": "2022-09-04T14:36:47.239431Z",
"structure_string": "Al2 H2 O4\n1.0\n1.415168 6.596592 -0.494825\n-1.552866 6.623193 -0.499383\n0.009764 -0.299196 3.698174\nAl H O\n2 2 4\ndirect\n0.691210 0.632655 0.212566 Al\n0.337960 0.299143 0.794698 Al\n0.080278 0.657613 0.334812 H\n-0.001070 0.971550 0.949096 H\n0.243637 0.380592 0.289457 O\n0.712147 0.727145 0.737673 O\n0.115166 0.072359 0.166456 O\n0.922988 0.895805 0.833588 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.7630364888721006,
"density_atomic": 0.11095097279056901,
"volume": 72.10391940502221,
"volume_molar": 5.42774940005924,
"formula_full": "Al2 H2 O4",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.69301495,
"spacegroup": 1
},
{
"id": "jvasp-52849",
"created_at": "2022-09-04T14:36:57.688242Z",
"updated_at": "2022-09-04T14:36:57.688267Z",
"structure_string": "Al10 H2 O16\n1.0\n2.871254 -4.973159 -0.000000\n2.871254 4.973159 -0.000000\n-0.000000 0.000000 8.729250\nAl H O\n10 2 16\ndirect\n0.826506 0.653013 0.121982 Al\n0.666666 0.333332 0.452890 Al\n0.666666 0.333332 0.826768 Al\n0.333332 0.666666 0.326768 Al\n0.653013 0.826506 0.621982 Al\n0.333332 0.666666 0.952890 Al\n0.173492 0.346985 0.621982 Al\n0.346985 0.173492 0.121982 Al\n0.826507 0.173492 0.121982 Al\n0.173492 0.826507 0.621982 Al\n0.000000 0.000000 0.138427 H\n0.000000 0.000000 0.638427 H\n0.170253 0.340507 0.220481 O\n0.340507 0.170253 0.720481 O\n0.829746 0.170253 0.720481 O\n0.829745 0.659491 0.720481 O\n0.659491 0.829745 0.220481 O\n0.170253 0.829746 0.220481 O\n0.966756 0.483378 0.986930 O\n0.000000 0.000000 0.021395 O\n0.516621 0.033242 0.986930 O\n0.033242 0.516621 0.486930 O\n0.483378 0.516620 0.486930 O\n0.483378 0.966756 0.486930 O\n0.666666 0.333332 0.239041 O\n0.000000 0.000000 0.521395 O\n0.516620 0.483378 0.986930 O\n0.333332 0.666666 0.739041 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.515810230878412,
"density_atomic": 0.1123174270923567,
"volume": 249.29345983839247,
"volume_molar": 5.361715377479308,
"formula_full": "Al10 H2 O16",
"formula_reduced": "Al5HO8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.4725515714285717,
"spacegroup": 186
},
{
"id": "jvasp-90648",
"created_at": "2022-09-04T14:36:12.673773Z",
"updated_at": "2022-09-04T14:36:12.673805Z",
"structure_string": "Al2 H2 O4\n1.0\n0.000000 0.000000 -2.858431\n-0.000000 -4.184933 0.000000\n-4.725179 -0.000000 0.000000\nAl H O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.739090 0.145979 O\n0.500000 0.260909 0.854022 O\n0.000000 0.760909 0.645979 O\n0.000000 0.239091 0.354022 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.5246094810907986,
"density_atomic": 0.14153227878417232,
"volume": 56.52420824933858,
"volume_molar": 4.254959230313376,
"formula_full": "Al2 H2 O4",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.65413745,
"spacegroup": 58
},
{
"id": "jvasp-12038",
"created_at": "2022-09-04T14:35:55.207450Z",
"updated_at": "2022-09-04T14:35:55.207482Z",
"structure_string": "Al2 H2 O4\n1.0\n2.161109 6.332083 0.000000\n-0.729078 5.987100 0.000000\n0.000000 0.000000 3.751249\nAl H O\n2 2 4\ndirect\n0.749325 0.613524 0.250000 Al\n0.250674 0.386476 0.750000 Al\n0.247290 0.754636 0.250000 H\n0.752710 0.245363 0.750000 H\n0.250371 0.327824 0.250000 O\n0.749628 0.672176 0.750000 O\n0.248386 -0.085039 0.250000 O\n0.751614 0.085039 0.750000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.025240510884653,
"density_atomic": 0.12147989321165545,
"volume": 65.85451952992362,
"volume_molar": 4.957314828642114,
"formula_full": "Al2 H2 O4",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.65872995,
"spacegroup": 59
},
{
"id": "jvasp-29833",
"created_at": "2022-09-04T14:37:38.502355Z",
"updated_at": "2022-09-04T14:37:38.502376Z",
"structure_string": "Al4 H12 O12\n1.0\n-4.271626 2.301107 4.737010\n4.447331 -2.393977 5.431589\n4.209207 2.498453 -6.446661\nAl H O\n4 12 12\ndirect\n0.472360 0.835363 0.303943 Al\n0.527703 0.164634 0.696076 Al\n-0.008911 0.670387 0.653933 Al\n0.008973 0.329610 0.346086 Al\n0.810101 0.598165 0.827051 H\n0.189960 0.401831 0.172968 H\n0.677155 0.908544 0.166937 H\n0.634985 0.829603 0.689313 H\n0.365079 0.170394 0.310707 H\n0.322907 0.091452 0.833082 H\n0.172615 0.714630 0.475048 H\n0.398875 0.465209 0.075101 H\n0.601188 0.534788 0.924919 H\n0.930147 0.943948 0.126401 H\n0.069916 0.056049 0.873618 H\n0.827448 0.285367 0.524971 H\n0.526800 0.189021 0.930496 O\n0.473264 0.810977 0.069524 O\n0.453140 0.867258 0.538988 O\n0.546923 0.132739 0.461031 O\n0.956914 0.388541 0.555356 O\n0.520013 0.438021 0.742315 O\n0.480050 0.561976 0.257704 O\n0.021821 0.057895 0.309677 O\n0.978243 0.942102 0.690343 O\n0.029666 0.283215 0.103583 O\n0.043150 0.611456 0.444664 O\n0.970399 0.716784 0.896437 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.4555573053695223,
"density_atomic": 0.13270417921169456,
"volume": 210.99561570953523,
"volume_molar": 4.538018919806031,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4481161857142864,
"spacegroup": 2
},
{
"id": "jvasp-54695",
"created_at": "2022-09-04T14:37:54.987906Z",
"updated_at": "2022-09-04T14:37:54.987940Z",
"structure_string": "Al4 H4 O8\n1.0\n2.874277 -0.000000 0.000000\n0.000000 4.920564 0.000000\n0.000000 0.000000 8.470826\nAl H O\n4 4 8\ndirect\n0.250000 0.387499 0.647164 Al\n0.250000 0.112500 0.147164 Al\n0.750001 0.612500 0.352837 Al\n0.750001 0.887499 0.852837 Al\n0.750001 0.366669 0.923083 H\n0.750001 0.133331 0.423082 H\n0.250000 0.633330 0.076918 H\n0.250000 0.866669 0.576918 H\n0.750001 0.209471 0.000826 O\n0.750001 0.290529 0.500826 O\n0.250000 0.790528 0.999175 O\n0.250000 0.709470 0.499174 O\n0.750001 0.958543 0.260656 O\n0.750001 0.541455 0.760656 O\n0.250000 0.041456 0.739345 O\n0.250000 0.458544 0.239345 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.3258773007168703,
"density_atomic": 0.13355209870834603,
"volume": 119.80343367677918,
"volume_molar": 4.509207132080554,
"formula_full": "Al4 H4 O8",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6474824499999998,
"spacegroup": 62
},
{
"id": "jvasp-54676",
"created_at": "2022-09-04T14:37:52.290730Z",
"updated_at": "2022-09-04T14:37:52.290749Z",
"structure_string": "Al4 H4 O8\n1.0\n2.869446 0.000000 0.000000\n-0.000000 4.415954 0.000000\n0.000000 0.000000 9.484903\nAl H O\n4 4 8\ndirect\n0.250000 0.451065 0.356786 Al\n0.250000 0.048934 0.856786 Al\n0.750001 0.548934 0.643214 Al\n0.750001 0.951065 0.143214 Al\n0.250000 0.086699 0.590857 H\n0.250000 0.413300 0.090858 H\n0.750001 0.913300 0.409142 H\n0.750001 0.586699 0.909142 H\n0.250000 0.795158 0.697488 O\n0.250000 0.704840 0.197488 O\n0.750001 0.204841 0.302512 O\n0.750001 0.295159 0.802512 O\n0.250000 0.303115 0.554578 O\n0.250000 0.196884 0.054578 O\n0.750001 0.696884 0.445422 O\n0.750001 0.803115 0.945422 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.3152783517693885,
"density_atomic": 0.13312649314684988,
"volume": 120.18644540084621,
"volume_molar": 4.5236230727996904,
"formula_full": "Al4 H4 O8",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.64489245,
"spacegroup": 62
},
{
"id": "jvasp-96964",
"created_at": "2022-09-04T14:36:44.340195Z",
"updated_at": "2022-09-04T14:36:44.340215Z",
"structure_string": "Al8 H24 O24\n1.0\n8.764797 0.083939 -0.149935\n0.052043 5.036616 0.099372\n-0.176024 0.251858 9.361865\nAl H O\n8 24 24\ndirect\n0.388800 0.944142 0.492067 Al\n0.715571 0.038361 0.495117 Al\n0.877611 0.506376 0.497059 Al\n0.216959 0.454352 0.495863 Al\n0.769882 0.069963 0.003626 Al\n0.119381 0.016661 0.006520 Al\n0.282206 0.505872 -0.001683 Al\n0.612596 0.569166 0.995567 Al\n0.493546 0.205325 0.106083 H\n0.410754 0.880787 0.876648 H\n0.594452 0.210912 0.793422 H\n0.369438 0.878108 0.131624 H\n0.260267 0.185734 0.785771 H\n0.747062 0.360175 0.223547 H\n0.094852 0.716829 0.802707 H\n-0.091128 0.668645 0.109885 H\n0.605421 0.872530 0.211441 H\n0.217999 0.259016 0.212999 H\n0.913160 0.864967 0.242833 H\n0.767187 0.755004 0.793686 H\n0.648601 0.619871 0.627068 H\n0.957644 0.381826 0.916416 H\n0.034737 0.360545 0.289533 H\n0.600039 0.651063 0.387623 H\n0.505327 0.306893 0.596706 H\n0.139890 0.024162 0.607513 H\n0.052362 0.444436 0.693469 H\n0.396504 0.626286 0.707413 H\n0.873352 0.169673 0.718047 H\n0.230245 0.779401 0.288874 H\n0.426754 0.345114 0.318113 H\n0.974517 0.960030 0.418042 H\n0.111777 0.702613 0.907586 O\n0.950127 0.187370 0.911760 O\n0.768204 0.373967 0.114692 O\n0.757725 0.766671 0.899002 O\n0.153559 0.302049 0.125005 O\n0.267195 0.806435 0.116311 O\n0.638305 0.273860 0.883561 O\n0.429974 0.687257 0.883380 O\n0.460587 0.393784 0.105347 O\n0.934570 0.857365 0.129855 O\n0.746044 0.707828 0.614440 O\n0.884080 0.854542 0.393227 O\n0.231844 0.775345 0.395025 O\n0.867336 0.187661 0.613247 O\n0.389727 0.610635 0.601280 O\n0.720650 0.359551 0.391403 O\n0.235472 0.122802 0.608433 O\n0.540350 0.117940 0.605248 O\n0.564297 0.844080 0.385234 O\n0.037765 0.354005 0.394415 O\n0.063253 0.587909 0.620683 O\n0.263376 0.199079 0.892117 O\n0.347702 0.261897 0.376009 O\n0.611392 0.885729 0.104504 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.509732368295918,
"density_atomic": 0.13563192895048853,
"volume": 412.88213205640096,
"volume_molar": 4.4400612795224195,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.452259042857144,
"spacegroup": 1
},
{
"id": "jvasp-29855",
"created_at": "2022-09-04T14:37:07.144189Z",
"updated_at": "2022-09-04T14:37:07.144227Z",
"structure_string": "Al8 H24 O24\n1.0\n8.728138 -0.000000 0.000000\n-0.000000 5.064923 0.000000\n0.000000 0.000000 9.293643\nAl H O\n8 24 24\ndirect\n0.834522 0.031515 0.513322 Al\n0.334522 0.468485 0.486678 Al\n0.165478 0.531514 0.986677 Al\n0.665478 0.968485 0.013322 Al\n0.165478 0.968485 0.486678 Al\n0.665478 0.531514 0.513322 Al\n0.834522 0.468485 0.013322 Al\n0.334522 0.031515 0.986677 Al\n0.887490 0.840812 0.189329 H\n0.387490 0.659187 0.810670 H\n0.309143 0.170500 0.695559 H\n0.809143 0.329500 0.304441 H\n0.309143 0.329500 0.195559 H\n0.690858 0.829500 0.304441 H\n0.190857 0.670500 0.695559 H\n0.612510 0.159187 0.689329 H\n0.809143 0.170500 0.804441 H\n0.690858 0.670500 0.804441 H\n0.112510 0.340812 0.310670 H\n0.190857 0.829500 0.195559 H\n0.112510 0.159187 0.810670 H\n0.612510 0.340812 0.189329 H\n0.960713 0.672925 0.389600 H\n0.539288 0.327074 0.889600 H\n0.039288 0.172926 0.110400 H\n0.539288 0.172926 0.389600 H\n0.460712 0.827074 0.610400 H\n0.460712 0.672925 0.110400 H\n0.960713 0.827074 0.889600 H\n0.887490 0.659187 0.689329 H\n0.387490 0.840812 0.310670 H\n0.039288 0.327074 0.610400 H\n0.171125 0.643632 0.592051 O\n0.196133 0.270580 0.370218 O\n0.671125 0.856367 0.407948 O\n0.171125 0.856367 0.092052 O\n0.671125 0.643632 0.907948 O\n0.828876 0.356367 0.407948 O\n0.328876 0.143632 0.592051 O\n0.303867 0.729419 0.870218 O\n0.803867 0.770580 0.129782 O\n0.696133 0.229419 0.629782 O\n0.696133 0.270580 0.129782 O\n0.016744 0.135841 0.612410 O\n0.303867 0.770580 0.370218 O\n0.803867 0.729419 0.629782 O\n0.983256 0.635840 0.887589 O\n0.483256 0.864159 0.112410 O\n0.516744 0.364159 0.387590 O\n0.016744 0.364159 0.112410 O\n0.516744 0.135841 0.887589 O\n0.983256 0.864159 0.387590 O\n0.483256 0.635840 0.612410 O\n0.328876 0.356367 0.092052 O\n0.196133 0.229419 0.870218 O\n0.828876 0.143632 0.907948 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.5221624941140983,
"density_atomic": 0.13630368262554743,
"volume": 410.8473000971135,
"volume_molar": 4.418179057233535,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4484419000000006,
"spacegroup": 61
}
]
}