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=4600",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4598",
"results": [
{
"id": "jvasp-52902",
"created_at": "2022-09-04T14:36:20.644770Z",
"updated_at": "2022-09-04T14:36:20.644796Z",
"structure_string": "H16 S8\n1.0\n-4.081865 4.081865 5.703558\n4.081865 -4.081865 5.703558\n4.081865 4.081865 -5.703558\nH S\n16 8\ndirect\n0.064233 0.781879 0.769438 H\n0.544796 0.762443 0.730564 H\n0.531879 0.262443 0.217646 H\n0.718122 0.435767 0.230564 H\n0.705204 0.935768 0.717646 H\n0.044796 0.314233 0.782355 H\n0.205204 0.487558 0.769438 H\n0.218122 -0.012443 0.282354 H\n0.031878 0.814233 0.269437 H\n0.685768 0.468122 0.730564 H\n0.512443 0.281879 0.717646 H\n0.012443 0.294796 0.230564 H\n0.237558 0.968123 0.782355 H\n0.737558 0.955205 0.269437 H\n0.564233 0.794796 0.282354 H\n0.185767 0.455204 0.217646 H\n0.711520 0.375000 0.836520 S\n0.125000 0.788482 0.163481 S\n0.625000 0.461519 0.336519 S\n0.125000 0.288481 0.663482 S\n0.625000 0.961520 0.836520 S\n0.211519 0.375000 0.336519 S\n0.538481 0.875000 0.163481 S\n0.038481 0.875001 0.663482 S\n",
"nsites": 24,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 1.1910411232192963,
"density_atomic": 0.06313760645957919,
"volume": 380.1221070261009,
"volume_molar": 9.538120143745687,
"formula_full": "H16 S8",
"formula_reduced": "H2S",
"formula_anonymous": "AB2",
"energy_above_hull": 2.051663333333333,
"spacegroup": 142
},
{
"id": "jvasp-86792",
"created_at": "2022-09-04T14:35:55.811451Z",
"updated_at": "2022-09-04T14:35:55.811470Z",
"structure_string": "Na4 Be2 H8\n1.0\n4.981859 0.000000 0.000000\n0.000000 4.962339 -0.853129\n0.000000 -0.168021 6.688549\nNa Be H\n4 2 8\ndirect\n0.250000 0.722742 0.028864 Na\n0.750000 0.277259 0.971136 Na\n0.750000 0.248085 0.463058 Na\n0.250000 0.751916 0.536942 Na\n0.250000 0.280108 0.217946 Be\n0.750000 0.719892 0.782055 Be\n0.750000 0.930887 0.660984 H\n0.750000 0.825748 0.998726 H\n0.520262 0.545960 0.735797 H\n0.250000 0.069114 0.339016 H\n0.979738 0.545960 0.735797 H\n0.020262 0.454040 0.264203 H\n0.479738 0.454040 0.264203 H\n0.250000 0.174252 0.001274 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Be",
"H"
],
"chemical_system": "Be-H-Na",
"density": 1.190621755571129,
"density_atomic": 0.08503504396711636,
"volume": 164.63800507251923,
"volume_molar": 7.081951721373606,
"formula_full": "Na4 Be2 H8",
"formula_reduced": "Na2BeH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6997020142857142,
"spacegroup": 11
},
{
"id": "jvasp-86190",
"created_at": "2022-09-04T14:35:44.495168Z",
"updated_at": "2022-09-04T14:35:44.495186Z",
"structure_string": "Na4 Be2 H8\n1.0\n4.981583 0.000000 0.000000\n0.000000 4.962561 -0.853228\n0.000000 -0.168087 6.689008\nNa Be H\n4 2 8\ndirect\n0.250000 0.722773 0.028847 Na\n0.750000 0.277226 0.971152 Na\n0.750000 0.248127 0.463103 Na\n0.250000 0.751873 0.536897 Na\n0.250000 0.280148 0.217964 Be\n0.750000 0.719851 0.782036 Be\n0.750000 0.930756 0.660899 H\n0.750000 0.825770 0.998677 H\n0.520243 0.545934 0.735795 H\n0.250000 0.069243 0.339100 H\n0.979757 0.545934 0.735795 H\n0.020243 0.454065 0.264205 H\n0.479757 0.454065 0.264205 H\n0.250000 0.174229 0.001323 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Be",
"H"
],
"chemical_system": "Be-H-Na",
"density": 1.1905547964187486,
"density_atomic": 0.08503026169731487,
"volume": 164.64726463898558,
"volume_molar": 7.082350024321013,
"formula_full": "Na4 Be2 H8",
"formula_reduced": "Na2BeH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6997020142857142,
"spacegroup": 11
},
{
"id": "jvasp-112207",
"created_at": "2022-09-04T14:38:44.863230Z",
"updated_at": "2022-09-04T14:38:44.863258Z",
"structure_string": "H26 C18\n1.0\n6.331047 0.013689 2.420651\n1.574676 6.499890 3.247704\n0.039510 -0.022210 8.246765\nH C\n26 18\ndirect\n0.504202 0.082493 0.103935 H\n0.861396 0.566682 0.768405 H\n0.138605 0.433319 0.231595 H\n0.726799 0.877074 0.317347 H\n0.273202 0.122926 0.682653 H\n0.252027 0.376952 0.658638 H\n0.943971 0.675106 0.401961 H\n0.056030 0.324895 0.598039 H\n0.093227 0.819940 0.557532 H\n0.906774 0.180060 0.442468 H\n0.328961 0.712876 0.413198 H\n0.671040 0.287124 0.586801 H\n0.288677 0.966412 0.401643 H\n0.747974 0.623048 0.341362 H\n0.977533 0.860374 0.823523 H\n0.711324 0.033589 0.598356 H\n0.495799 0.917507 0.896064 H\n0.661680 0.217238 0.886622 H\n0.373153 0.285197 0.932082 H\n0.626848 0.714804 0.067917 H\n0.338321 0.782762 0.113378 H\n-0.000566 0.624928 0.012785 H\n0.942490 0.165338 0.983356 H\n0.057511 0.834662 0.016644 H\n0.022468 0.139627 0.176477 H\n0.000567 0.375072 0.987215 H\n0.267973 0.811300 0.497705 C\n0.631003 0.679221 0.599635 C\n0.732028 0.188701 0.502295 C\n0.075541 0.755532 0.924351 C\n0.924460 0.244468 0.075649 C\n0.489553 0.765963 0.005202 C\n0.510448 0.234037 0.994798 C\n0.368999 0.320779 0.400364 C\n0.501223 0.388181 0.077650 C\n0.609289 0.271319 0.356023 C\n0.309603 0.694495 0.828864 C\n0.690398 0.305505 0.171135 C\n0.498778 0.611819 0.922349 C\n0.694349 0.610981 0.758174 C\n0.305652 0.389019 0.241826 C\n0.229312 0.285478 0.594280 C\n0.390713 0.728681 0.643976 C\n0.770689 0.714523 0.405719 C\n",
"nsites": 44,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1875718297142575,
"density_atomic": 0.12981729954019028,
"volume": 338.93787773930694,
"volume_molar": 4.638935474185858,
"formula_full": "H26 C18",
"formula_reduced": "H13C9",
"formula_anonymous": "A9B13",
"energy_above_hull": 5.064008181818181,
"spacegroup": 2
},
{
"id": "jvasp-112259",
"created_at": "2022-09-04T14:38:45.320641Z",
"updated_at": "2022-09-04T14:38:45.320665Z",
"structure_string": "H12 C12\n1.0\n5.201780 0.000000 -1.923304\n0.000000 5.487194 0.000000\n-0.046546 0.000000 7.670375\nH C\n12 12\ndirect\n0.960383 0.959895 0.203741 H\n0.182642 0.814322 0.512389 H\n0.182643 0.685676 0.012389 H\n0.817356 0.314323 0.987612 H\n0.639887 0.853399 0.716074 H\n0.360112 0.146600 0.283927 H\n0.817357 0.185677 0.487612 H\n0.639888 0.646600 0.216073 H\n0.960383 0.540104 0.703742 H\n0.039616 0.459895 0.296259 H\n0.039616 0.040105 0.796260 H\n0.360111 0.353399 0.783928 H\n0.321675 0.823536 0.006013 C\n0.678325 0.176464 0.993988 C\n0.579822 0.698736 0.620913 C\n0.420177 0.301263 0.379088 C\n0.420177 0.198737 0.879088 C\n0.758208 0.522210 0.614674 C\n0.241791 0.477790 0.385327 C\n0.241791 0.022210 0.885328 C\n0.758208 0.977789 0.114673 C\n0.321674 0.676463 0.506014 C\n0.579822 0.801263 0.120913 C\n0.678325 0.323536 0.493987 C\n",
"nsites": 24,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1875518576404638,
"density_atomic": 0.10986715123825218,
"volume": 218.44563847800924,
"volume_molar": 5.481293263844349,
"formula_full": "H12 C12",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy_above_hull": 2.864,
"spacegroup": 14
},
{
"id": "jvasp-67945",
"created_at": "2022-09-04T14:35:58.073880Z",
"updated_at": "2022-09-04T14:35:58.073903Z",
"structure_string": "Na2 Li1 Be1\n1.0\n-2.475623 2.475623 3.534465\n2.475623 -2.475623 3.534465\n2.475623 2.475623 -3.534465\nNa Li Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.749999 0.499999 Na\n0.749999 0.250000 0.499999 Li\n0.499999 0.499999 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"Be"
],
"chemical_system": "Be-Li-Na",
"density": 1.1869066439616,
"density_atomic": 0.04616441077837939,
"volume": 86.64683318937448,
"volume_molar": 13.044985646866321,
"formula_full": "Na2 Li1 Be1",
"formula_reduced": "Na2LiBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.382568525,
"spacegroup": 216
},
{
"id": "jvasp-63601",
"created_at": "2022-09-04T14:36:17.331854Z",
"updated_at": "2022-09-04T14:36:17.331876Z",
"structure_string": "Ca2 B4 H16\n1.0\n6.681793 0.000000 0.000000\n-0.000000 6.681793 0.000000\n0.000000 0.000000 4.374157\nCa B H\n2 4 16\ndirect\n0.500000 -0.000000 0.022547 Ca\n0.000000 0.500000 0.522547 Ca\n0.684786 0.220521 0.522545 B\n0.315214 0.779478 0.522545 B\n0.220521 0.315214 0.022545 B\n0.779478 0.684786 0.022545 B\n0.489779 0.833908 0.522554 H\n0.510220 0.166092 0.522554 H\n0.841004 0.774324 0.249709 H\n0.158995 0.225675 0.249709 H\n0.225675 0.841004 0.749709 H\n0.774324 0.158995 0.749709 H\n0.840956 0.774297 0.795331 H\n0.774297 0.159043 0.295331 H\n0.225703 0.840956 0.295331 H\n0.166092 0.489779 0.022554 H\n0.597080 0.673651 0.022589 H\n0.402919 0.326348 0.022589 H\n0.326348 0.597080 0.522589 H\n0.673651 0.402919 0.522589 H\n0.159043 0.225703 0.795331 H\n0.833908 0.510220 0.022554 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"B",
"H"
],
"chemical_system": "B-Ca-H",
"density": 1.1863889064867865,
"density_atomic": 0.11265287492343304,
"volume": 195.29017803542763,
"volume_molar": 5.345749732612752,
"formula_full": "Ca2 B4 H16",
"formula_reduced": "Ca(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.1655041442424245,
"spacegroup": 84
},
{
"id": "jvasp-37925",
"created_at": "2022-09-04T14:38:01.028736Z",
"updated_at": "2022-09-04T14:38:01.028761Z",
"structure_string": "Ca2 B4 H16\n1.0\n6.681904 -0.000000 0.000000\n0.000000 6.681904 0.000000\n0.000000 0.000000 4.374368\nCa B H\n2 4 16\ndirect\n0.500000 0.000000 0.022571 Ca\n-0.000000 0.500000 0.522571 Ca\n0.220500 0.315157 0.022545 B\n0.779500 0.684843 0.022545 B\n0.315157 0.779500 0.522545 B\n0.684843 0.220500 0.522545 B\n0.774391 0.158988 0.749694 H\n0.225609 0.841012 0.749694 H\n0.673732 0.402903 0.522499 H\n0.326268 0.597096 0.522499 H\n0.510270 0.166133 0.522644 H\n0.489730 0.833867 0.522644 H\n0.774283 0.158945 0.295336 H\n0.158988 0.225609 0.249694 H\n0.841012 0.774391 0.249694 H\n0.158945 0.225716 0.795336 H\n0.597096 0.673732 0.022499 H\n0.402903 0.326268 0.022499 H\n0.833867 0.510270 0.022644 H\n0.166133 0.489730 0.022644 H\n0.225716 0.841054 0.295336 H\n0.841054 0.774283 0.795336 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"B",
"H"
],
"chemical_system": "B-Ca-H",
"density": 1.186292265946743,
"density_atomic": 0.11264369847664521,
"volume": 195.3060872247668,
"volume_molar": 5.346185220692653,
"formula_full": "Ca2 B4 H16",
"formula_reduced": "Ca(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.1655050533333338,
"spacegroup": 84
},
{
"id": "jvasp-112222",
"created_at": "2022-09-04T14:38:45.011140Z",
"updated_at": "2022-09-04T14:38:45.011164Z",
"structure_string": "H20 C12\n1.0\n4.960889 0.017394 1.333263\n1.045104 5.628126 2.002003\n-0.022755 0.038126 8.250153\nH C\n20 12\ndirect\n0.819574 0.911901 0.444015 H\n0.830010 0.515207 0.826609 H\n0.169988 0.484794 0.173390 H\n0.917188 0.772427 0.662707 H\n0.082810 0.227573 0.337292 H\n0.586894 0.382226 0.322608 H\n0.215069 0.635030 0.884262 H\n0.784929 0.364970 0.115737 H\n0.211164 0.198464 0.974976 H\n0.788834 0.801537 0.025024 H\n0.413104 0.617774 0.677391 H\n0.447470 0.752917 0.092090 H\n0.570089 0.211195 0.612787 H\n0.429909 0.788806 0.387212 H\n0.478583 0.952654 0.776875 H\n0.521416 0.047347 0.223124 H\n0.988470 0.105547 0.763533 H\n0.011528 0.894454 0.236466 H\n0.180424 0.088100 0.555984 H\n0.552528 0.247084 0.907909 H\n0.254535 0.540421 0.784815 C\n0.745464 0.459579 0.215184 C\n0.361797 0.274739 0.860280 C\n0.638201 0.725261 0.139719 C\n0.407715 0.144618 0.722294 C\n0.029202 0.448263 0.581275 C\n0.142763 0.185622 0.652681 C\n0.857235 0.814379 0.347318 C\n0.970797 0.551738 0.418724 C\n0.009689 0.418746 0.285462 C\n0.592283 0.855383 0.277705 C\n0.990309 0.581254 0.714537 C\n",
"nsites": 32,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1858887924289143,
"density_atomic": 0.13910448017727642,
"volume": 230.0429142125316,
"volume_molar": 4.329221281963969,
"formula_full": "H20 C12",
"formula_reduced": "H5C3",
"formula_anonymous": "A3B5",
"energy_above_hull": 4.49475625,
"spacegroup": 2
},
{
"id": "jvasp-101785",
"created_at": "2022-09-04T14:36:57.393632Z",
"updated_at": "2022-09-04T14:36:57.393693Z",
"structure_string": "H8 C8\n1.0\n6.114775 0.025325 -0.082539\n-0.434238 6.099390 -0.082539\n0.034289 0.036970 3.909473\nH C\n8 8\ndirect\n0.384680 0.872355 0.851217 H\n0.962374 0.754035 0.610003 H\n0.127646 0.615321 0.148782 H\n0.245966 0.037627 0.389996 H\n0.615321 0.127646 0.148782 H\n0.037626 0.245966 0.389996 H\n0.872355 0.384680 0.851217 H\n0.754035 0.962374 0.610003 H\n0.432688 0.709334 0.917945 C\n0.290666 0.567312 0.082054 C\n0.567312 0.290667 0.082054 C\n0.709334 0.432689 0.917945 C\n0.797880 0.797880 0.674191 C\n0.652520 0.652520 0.828701 C\n0.202120 0.202120 0.325808 C\n0.347481 0.347481 0.171298 C\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1854435692202396,
"density_atomic": 0.10967210153054606,
"volume": 145.88942654247992,
"volume_molar": 5.491041637715589,
"formula_full": "H8 C8",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy_above_hull": 2.899805,
"spacegroup": 12
},
{
"id": "jvasp-86714",
"created_at": "2022-09-04T14:35:53.741418Z",
"updated_at": "2022-09-04T14:35:53.741446Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n4.309751 -0.002757 6.462673\n1.955188 3.840727 6.462673\n-0.004500 -0.002757 7.767888\nK Na B H\n1 1 2 8\ndirect\n0.352892 0.352892 0.352892 K\n0.857091 0.857089 0.857090 Na\n0.592954 0.592953 0.592953 B\n0.102764 0.102764 0.102764 B\n0.374669 0.858742 0.128120 H\n0.537188 0.537187 0.537187 H\n0.858742 0.128120 0.374669 H\n0.758998 0.316112 0.761152 H\n0.128121 0.374669 0.858742 H\n0.046698 0.046698 0.046698 H\n0.316113 0.761151 0.758997 H\n0.761152 0.758997 0.316112 H\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"B",
"H"
],
"chemical_system": "B-H-K-Na",
"density": 1.1834177240901982,
"density_atomic": 0.09318639278325747,
"volume": 128.77416585821535,
"volume_molar": 6.462467942081326,
"formula_full": "K1 Na1 B2 H8",
"formula_reduced": "KNa(BH4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.803450180555556,
"spacegroup": 146
},
{
"id": "jvasp-86113",
"created_at": "2022-09-04T14:36:07.073565Z",
"updated_at": "2022-09-04T14:36:07.073572Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n4.309898 -0.002940 6.462356\n1.955092 3.840943 6.462356\n-0.004800 -0.002940 7.767705\nK Na B H\n1 1 2 8\ndirect\n0.352961 0.352961 0.352962 K\n0.857204 0.857203 0.857206 Na\n0.592957 0.592956 0.592958 B\n0.102728 0.102727 0.102728 B\n0.375320 0.859397 0.126690 H\n0.537188 0.537187 0.537189 H\n0.859398 0.126688 0.375320 H\n0.758957 0.316155 0.761166 H\n0.126688 0.375319 0.859398 H\n0.046660 0.046660 0.046660 H\n0.316155 0.761164 0.758959 H\n0.761165 0.758957 0.316156 H\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"B",
"H"
],
"chemical_system": "B-H-K-Na",
"density": 1.183219172153103,
"density_atomic": 0.0931707581189953,
"volume": 128.79577500779706,
"volume_molar": 6.463552386585368,
"formula_full": "K1 Na1 B2 H8",
"formula_reduced": "KNa(BH4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.803450180555556,
"spacegroup": 146
}
]
}