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=144",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=142",
"results": [
{
"id": "jvasp-99359",
"created_at": "2022-09-04T14:36:09.470952Z",
"updated_at": "2022-09-04T14:36:09.470978Z",
"structure_string": "P4 S4 N36\n1.0\n6.078145 0.000000 -0.814333\n0.000000 14.889876 0.000000\n-0.070760 0.000000 7.688457\nP S N\n4 4 36\ndirect\n0.082079 0.152038 0.890146 P\n0.917920 0.652038 0.609855 P\n0.917920 0.847962 0.109854 P\n0.082079 0.347962 0.390146 P\n0.281760 0.069023 0.019222 S\n0.718240 0.569023 0.480779 S\n0.718240 0.930978 0.980779 S\n0.281760 0.430978 0.519222 S\n0.333168 0.213289 0.462169 N\n0.470244 0.320158 0.055436 N\n0.529756 0.820158 0.444564 N\n0.529756 0.679842 0.944564 N\n0.470244 0.179842 0.555437 N\n0.840500 0.172910 0.968774 N\n0.159500 0.672910 0.531227 N\n0.187710 0.649952 0.382144 N\n0.840500 0.327090 0.468774 N\n0.812289 0.149952 0.117857 N\n0.666832 0.713289 0.037831 N\n0.187710 0.850048 0.882144 N\n0.812289 0.350048 0.617857 N\n0.768269 0.130462 0.251981 N\n0.231731 0.630462 0.248020 N\n0.159500 0.827090 0.031227 N\n0.666832 0.786711 0.537831 N\n0.814752 0.755269 0.646371 N\n0.185247 0.244731 0.353630 N\n0.983985 0.133648 0.676106 N\n0.016015 0.633648 0.823895 N\n0.016015 0.866352 0.323895 N\n0.983985 0.366352 0.176105 N\n0.874387 0.065629 0.632436 N\n0.125612 0.565629 0.867565 N\n0.125612 0.934371 0.367565 N\n0.874387 0.434371 0.132436 N\n0.773090 0.005203 0.577720 N\n0.226909 0.505203 0.922281 N\n0.226909 0.994797 0.422281 N\n0.773090 0.494797 0.077720 N\n0.185247 0.255269 0.853630 N\n0.231731 0.869539 0.748020 N\n0.814752 0.744731 0.146371 N\n0.333168 0.286711 0.962169 N\n0.768269 0.369538 0.751981 N\n",
"nsites": 44,
"nelements": 3,
"elements": [
"P",
"S",
"N"
],
"chemical_system": "N-P-S",
"density": 1.8073113337257065,
"density_atomic": 0.06331216797818306,
"volume": 694.9690937003152,
"volume_molar": 9.511822059347562,
"formula_full": "P4 S4 N36",
"formula_reduced": "PSN9",
"formula_anonymous": "ABC9",
"energy_above_hull": 5.687105886363636,
"spacegroup": 14
},
{
"id": "jvasp-112128",
"created_at": "2022-09-04T14:38:42.918034Z",
"updated_at": "2022-09-04T14:38:42.918072Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.125313 0.042299 0.260719\n1.888657 4.067729 0.195091\n0.284870 -0.314721 13.852208\nZn H C O\n1 14 9 4\ndirect\n0.030176 0.025371 0.173616 Zn\n0.717681 0.302740 0.580969 H\n0.212070 0.769776 0.860718 H\n0.904942 0.594265 0.861954 H\n0.233572 0.791455 0.672870 H\n0.937080 0.604934 0.671216 H\n0.414866 0.125134 0.576196 H\n0.310469 0.794947 0.488061 H\n0.660237 0.245087 0.937841 H\n0.343152 0.084023 0.944351 H\n0.668503 0.294407 0.760062 H\n0.365649 0.114922 0.760805 H\n0.810146 0.268792 0.405002 H\n0.478849 0.140013 0.385098 H\n0.010106 0.616287 0.480197 H\n0.238546 0.465824 0.044563 C\n0.367541 0.318301 0.943898 C\n0.194513 0.532573 0.857888 C\n0.379017 0.355057 0.762268 C\n0.296075 0.555934 0.485361 C\n0.429347 0.364620 0.578398 C\n0.521794 0.362553 0.395770 C\n0.447870 0.552810 0.301836 C\n0.224422 0.549597 0.671332 C\n0.082303 0.780964 0.053138 O\n0.673076 0.465214 0.228398 O\n0.148695 0.811729 0.300024 O\n0.310685 0.267222 0.115604 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.8076190618984953,
"density_atomic": 0.12113815109508012,
"volume": 231.14105462962763,
"volume_molar": 4.97129987998024,
"formula_full": "Zn1 H14 C9 O4",
"formula_reduced": "ZnH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.493799442857143,
"spacegroup": 1
},
{
"id": "jvasp-112025",
"created_at": "2022-09-04T14:38:41.875693Z",
"updated_at": "2022-09-04T14:38:41.875733Z",
"structure_string": "Sn1 H24 C13 O6\n1.0\n5.032208 0.042799 -0.395730\n-2.876671 7.515382 -3.052561\n-0.141134 -0.078296 9.601137\nSn H C O\n1 24 13 6\ndirect\n0.005842 0.586833 0.161055 Sn\n0.863424 0.364105 0.554710 H\n0.019525 0.769302 0.011864 H\n0.852177 0.346736 0.731886 H\n0.515845 0.011277 0.565353 H\n0.887482 0.075338 0.580164 H\n0.812817 0.112639 0.327997 H\n0.437091 0.015492 0.310295 H\n0.982658 0.795365 0.555456 H\n0.918553 0.006967 0.793903 H\n0.562112 0.539345 0.474647 H\n0.478747 0.719257 0.594545 H\n0.120284 0.543976 0.397203 H\n0.329377 0.259526 0.678725 H\n0.041811 0.663277 0.650629 H\n0.433741 0.897114 0.784937 H\n0.410082 0.101788 0.800558 H\n0.932382 0.867305 0.886806 H\n0.144311 0.139396 0.123943 H\n0.497750 0.275845 0.232975 H\n0.712136 0.142107 0.030439 H\n0.320427 0.271088 0.498169 H\n0.455363 0.965518 0.052193 H\n0.650741 0.584632 0.803055 H\n0.298920 0.541420 0.722172 H\n0.343197 0.996986 0.843959 C\n0.498236 0.527861 0.692546 C\n0.361397 0.206605 0.116718 C\n0.015400 0.909527 0.798779 C\n0.482892 0.074593 0.014402 C\n0.452501 0.328486 0.615463 C\n0.695400 0.093850 0.536038 C\n0.919828 0.748342 0.644547 C\n0.648241 0.023238 0.359621 C\n0.731395 0.291566 0.612733 C\n0.665235 0.839969 0.298594 C\n0.353561 0.347905 0.060554 C\n0.602047 0.632988 0.594630 C\n0.906483 0.827950 0.274290 O\n0.114479 0.684821 0.008326 O\n0.943245 0.488631 0.318994 O\n0.576768 0.447151 0.038252 O\n0.112669 0.363085 0.029986 O\n0.453386 0.704595 0.283535 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8091110493769493,
"density_atomic": 0.12134784386967316,
"volume": 362.5939991752612,
"volume_molar": 4.962709322192607,
"formula_full": "Sn1 H24 C13 O6",
"formula_reduced": "SnH24C13O6",
"formula_anonymous": "AB6C13D24",
"energy_above_hull": 4.574133470454546,
"spacegroup": 1
},
{
"id": "jvasp-120213",
"created_at": "2022-09-04T14:38:51.156078Z",
"updated_at": "2022-09-04T14:38:51.156100Z",
"structure_string": "H2 Cl1\n1.0\n3.347132 0.000000 -0.000000\n-1.673566 2.898701 0.000000\n0.000000 0.000000 3.544309\nH Cl\n2 1\ndirect\n0.333333 0.666667 0.000000 H\n0.666666 0.333333 0.000000 H\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 1.809305783047732,
"density_atomic": 0.08723955005188985,
"volume": 34.388072820361955,
"volume_molar": 6.902993832978329,
"formula_full": "H2 Cl1",
"formula_reduced": "H2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8550946891666664,
"spacegroup": 191
},
{
"id": "jvasp-103870",
"created_at": "2022-09-04T14:37:14.999565Z",
"updated_at": "2022-09-04T14:37:14.999591Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n4.858637 0.078362 -0.647931\n-2.426168 7.108811 -1.326587\n-0.029732 0.122809 8.454368\nSn H C O\n1 18 10 4\ndirect\n0.838615 0.700547 0.319283 Sn\n0.595853 0.372067 0.906932 H\n0.248509 0.024425 0.462648 H\n0.768881 0.335525 0.240099 H\n0.428756 0.376690 0.175831 H\n0.544146 0.370789 0.385294 H\n0.574585 0.233181 0.714885 H\n0.132866 0.030313 0.253209 H\n0.138663 0.442612 0.789386 H\n0.908311 0.065561 0.398513 H\n0.684346 0.540008 0.637996 H\n0.592660 0.678148 0.794868 H\n0.992810 0.861058 0.000564 H\n0.084483 0.722894 0.843707 H\n0.538461 0.958439 0.849142 H\n0.531708 0.084040 0.040957 H\n0.102493 0.167849 0.923598 H\n0.081260 0.028947 0.731566 H\n0.145416 0.317047 0.597555 H\n0.235018 0.117271 0.841950 C\n0.392377 -0.000604 0.925464 C\n0.177866 0.827005 0.958438 C\n0.499286 0.574062 0.680120 C\n0.284740 0.401660 0.713059 C\n0.301542 0.729875 0.079374 C\n0.375658 0.671225 0.559200 C\n0.062117 -0.007020 0.363982 C\n0.615053 0.408122 0.274557 C\n0.442077 0.283757 0.796546 C\n0.104734 0.650270 0.539717 O\n0.134591 0.627405 0.155302 O\n0.572463 0.750831 0.098841 O\n0.542652 0.773711 0.483304 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8099372707542996,
"density_atomic": 0.1120677906209014,
"volume": 294.4646255375117,
"volume_molar": 5.373658860083595,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.552645627272727,
"spacegroup": 2
},
{
"id": "jvasp-93166",
"created_at": "2022-09-04T14:35:59.694137Z",
"updated_at": "2022-09-04T14:35:59.694172Z",
"structure_string": "Li1 Mg6 Si1\n1.0\n6.211454 0.006425 0.000000\n-3.100162 5.369638 0.000000\n0.000000 0.000000 4.968942\nLi Mg Si\n1 6 1\ndirect\n0.166104 0.333052 0.250000 Li\n0.669486 0.332618 0.250000 Mg\n0.669486 0.836867 0.250000 Mg\n0.326812 0.162498 0.750000 Mg\n0.326812 0.664316 0.750000 Mg\n0.836294 0.168148 0.750000 Mg\n0.836674 0.668338 0.750000 Mg\n0.168335 0.834167 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.811013665707993,
"density_atomic": 0.04824235442771949,
"volume": 165.82938571097793,
"volume_molar": 12.48309878619802,
"formula_full": "Li1 Mg6 Si1",
"formula_reduced": "LiMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00051375,
"spacegroup": 38
},
{
"id": "jvasp-38251",
"created_at": "2022-09-04T14:38:16.552975Z",
"updated_at": "2022-09-04T14:38:16.553003Z",
"structure_string": "Rb4 Be4 H12\n1.0\n0.000000 6.835772 -0.005012\n5.631392 0.000000 0.000000\n0.000000 -2.434681 -9.286439\nRb Be H\n4 4 12\ndirect\n0.233330 0.249976 0.200752 Rb\n0.766670 0.749976 0.299248 Rb\n0.233330 0.250024 0.700752 Rb\n0.766670 0.750023 0.799248 Rb\n0.751853 0.250014 0.000945 Be\n0.248147 0.750014 0.499055 Be\n0.751853 0.249985 0.500945 Be\n0.248147 0.749985 0.999055 Be\n0.638878 0.250018 0.856461 H\n0.361122 0.750018 0.643539 H\n0.817181 0.033989 0.570039 H\n0.817155 0.466023 0.569989 H\n0.182844 0.533976 0.430011 H\n0.817181 0.466011 0.070039 H\n0.638878 0.249982 0.356461 H\n0.361122 0.749982 0.143539 H\n0.182818 0.533989 0.929961 H\n0.817155 0.033977 0.069989 H\n0.182818 0.966011 0.429961 H\n0.182845 0.966023 0.930011 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Be",
"H"
],
"chemical_system": "Be-H-Rb",
"density": 1.8113176758398546,
"density_atomic": 0.05593633163532039,
"volume": 357.54936756294575,
"volume_molar": 10.766063100565187,
"formula_full": "Rb4 Be4 H12",
"formula_reduced": "RbBeH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7937112199999996,
"spacegroup": 11
},
{
"id": "jvasp-118886",
"created_at": "2022-09-04T14:38:47.789303Z",
"updated_at": "2022-09-04T14:38:47.789317Z",
"structure_string": "Li1 F2\n1.0\n3.679701 -0.000000 0.000000\n-1.839851 3.186715 0.000000\n0.000000 0.000000 3.512571\nLi F\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333332 0.666665 0.000000 F\n0.666665 0.333332 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"F"
],
"chemical_system": "F-Li",
"density": 1.8116741995503978,
"density_atomic": 0.07283504415598137,
"volume": 41.18896383964962,
"volume_molar": 8.268191266697336,
"formula_full": "Li1 F2",
"formula_reduced": "LiF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5037234274999999,
"spacegroup": 191
},
{
"id": "jvasp-103854",
"created_at": "2022-09-04T14:36:59.112503Z",
"updated_at": "2022-09-04T14:36:59.112537Z",
"structure_string": "H6 C10 S2 N2 O4\n1.0\n3.794430 -0.071029 0.057145\n-1.985407 7.350584 -2.106065\n0.349448 -0.117063 9.360560\nH C S N O\n6 10 2 2 4\ndirect\n0.793105 0.860960 0.321854 H\n0.793144 0.361010 0.821765 H\n0.110414 0.062832 0.144576 H\n0.111503 0.562647 0.644452 H\n0.738737 0.024464 0.853435 H\n0.737703 0.524577 0.353402 H\n0.780430 0.369274 0.140255 C\n0.780988 0.869138 0.640254 C\n0.139946 0.568108 0.001148 C\n0.140543 0.067921 0.501125 C\n0.427358 0.757038 0.835903 C\n0.008896 0.487789 0.857176 C\n0.008913 0.987721 0.357220 C\n0.175652 0.598379 0.762436 C\n0.175115 0.098436 0.262502 C\n0.426996 0.257055 0.335906 C\n0.469075 0.275119 0.523962 S\n0.468546 0.775299 0.024038 S\n0.654642 0.895248 0.781225 N\n0.653848 0.395344 0.281194 N\n0.696453 0.729425 0.535167 O\n0.030850 0.031729 0.634748 O\n0.029655 0.532043 0.134758 O\n0.696545 0.229501 0.035198 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.8117057528382785,
"density_atomic": 0.09275677425040726,
"volume": 258.74120994343036,
"volume_molar": 6.492399944550206,
"formula_full": "H6 C10 S2 N2 O4",
"formula_reduced": "H3C5SNO2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 5.040990854166666,
"spacegroup": 1
},
{
"id": "jvasp-120212",
"created_at": "2022-09-04T14:38:51.203740Z",
"updated_at": "2022-09-04T14:38:51.203760Z",
"structure_string": "H2 Cl1\n1.0\n4.919731 0.000000 0.015855\n0.000000 2.951204 0.000000\n-0.032243 0.000000 2.364815\nH Cl\n2 1\ndirect\n-0.086273 0.000000 -0.258794 H\n0.019605 0.000000 0.525456 H\n0.466670 0.000000 0.133340 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 1.8120199170732445,
"density_atomic": 0.08737041783188855,
"volume": 34.33656464562605,
"volume_molar": 6.8926541836933195,
"formula_full": "H2 Cl1",
"formula_reduced": "H2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6682713558333333,
"spacegroup": 10
},
{
"id": "jvasp-85753",
"created_at": "2022-09-04T14:35:51.723903Z",
"updated_at": "2022-09-04T14:35:51.723930Z",
"structure_string": "Na3 Li3 C3 O9\n1.0\n7.910079 -0.000000 -0.000000\n-3.955039 6.850329 0.000000\n0.000000 0.000000 4.560892\nNa Li C O\n3 3 3 9\ndirect\n0.666667 0.333333 0.000000 Na\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.493998 0.506002 0.500000 Li\n0.012006 0.506002 0.500000 Li\n0.493998 0.987994 0.500000 Li\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.500000 C\n0.333333 0.666667 0.500000 C\n0.644050 0.822025 0.000000 O\n0.488264 0.511736 0.000000 O\n0.177975 0.355950 0.000000 O\n0.905242 0.810483 0.000000 O\n0.023471 0.511736 0.000000 O\n0.905242 0.094759 0.000000 O\n0.488264 0.976529 0.000000 O\n0.177975 0.822025 0.000000 O\n0.189517 0.094759 0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Na",
"Li",
"C",
"O"
],
"chemical_system": "C-Li-Na-O",
"density": 1.812924003976348,
"density_atomic": 0.07283338017785485,
"volume": 247.1394291469798,
"volume_molar": 8.268380164828661,
"formula_full": "Na3 Li3 C3 O9",
"formula_reduced": "NaLiCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.4927415833333333,
"spacegroup": 187
},
{
"id": "jvasp-115651",
"created_at": "2022-09-04T14:38:47.576948Z",
"updated_at": "2022-09-04T14:38:47.576972Z",
"structure_string": "Be1 Sb1 Se1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBe Sb Se\n1 1 1\ndirect\n0.275145 0.006591 0.000000 Be\n0.066860 0.364970 0.000000 Sb\n-0.054755 -0.077455 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Sb",
"Se"
],
"chemical_system": "Be-Sb-Se",
"density": 1.8134504715392117,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Be1 Sb1 Se1",
"formula_reduced": "BeSbSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7988618555555551,
"spacegroup": 6
}
]
}