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_atomic&page=4628",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=4626",
"results": [
{
"id": "jvasp-53396",
"created_at": "2022-09-04T14:38:11.487790Z",
"updated_at": "2022-09-04T14:38:11.487807Z",
"structure_string": "Al2 H2 O4\n1.0\n0.000000 3.820251 -0.018145\n3.899492 0.000000 0.000000\n0.000000 -0.018610 -3.921612\nAl H O\n2 2 4\ndirect\n0.000022 0.219286 0.238295 Al\n-0.000022 0.719285 0.761704 Al\n0.500022 0.449990 0.439771 H\n0.499978 0.949990 0.560227 H\n0.000004 0.227720 0.753101 O\n0.499986 0.745004 0.719387 O\n0.500014 0.245004 0.280611 O\n-0.000004 0.727720 0.246898 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.4101316819262495,
"density_atomic": 0.13693537127629682,
"volume": 58.42172059298152,
"volume_molar": 4.397797810654067,
"formula_full": "Al2 H2 O4",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.70010245,
"spacegroup": 26
},
{
"id": "jvasp-29851",
"created_at": "2022-09-04T14:37:09.946013Z",
"updated_at": "2022-09-04T14:37:09.946034Z",
"structure_string": "Al8 H24 O24\n1.0\n8.696277 0.119126 0.157301\n0.068797 5.079924 0.028779\n0.164805 0.052175 9.258694\nAl H O\n8 24 24\ndirect\n0.840452 0.033829 0.510447 Al\n0.340393 0.468694 0.483599 Al\n0.153013 0.500124 0.990630 Al\n0.666681 0.017401 0.017813 Al\n0.170786 0.981261 0.486849 Al\n0.669731 0.534374 0.510679 Al\n0.814173 0.494408 0.021047 Al\n0.335982 0.010762 0.983181 Al\n0.381669 0.643943 0.811500 H\n0.309090 0.167246 0.697556 H\n0.787154 0.322717 0.299852 H\n0.698017 0.714731 0.801705 H\n0.415358 0.369886 0.117322 H\n0.597814 0.987415 0.392435 H\n0.184982 0.668396 0.696416 H\n0.778760 0.817121 0.230556 H\n0.802340 0.210049 0.801915 H\n0.208563 0.790629 0.218763 H\n0.612846 0.161087 0.686742 H\n0.059878 0.911577 0.133760 H\n0.103299 0.144199 0.815354 H\n0.234865 0.277770 0.271607 H\n0.981344 0.681338 0.384823 H\n0.519058 0.337978 0.878507 H\n0.004243 0.353409 0.218981 H\n0.564323 0.358152 0.283203 H\n0.456228 0.825683 0.611839 H\n0.514220 0.682087 0.111546 H\n0.962551 0.836250 0.891502 H\n0.890161 0.653308 0.686658 H\n0.395291 0.847663 0.302039 H\n0.034874 0.336424 0.608000 H\n0.175788 0.652060 0.591777 O\n0.199097 0.288240 0.374369 O\n0.684445 0.862308 0.406664 O\n0.164155 0.826557 0.117047 O\n0.672466 0.691899 0.905384 O\n0.829371 0.354706 0.396466 O\n0.332001 0.143287 0.593719 O\n0.303666 0.702872 0.885032 O\n0.806444 0.814223 0.126060 O\n0.699356 0.233285 0.629533 O\n0.659580 0.323413 0.127025 O\n0.016671 0.145726 0.611079 O\n0.307519 0.779240 0.360764 O\n0.809852 0.724673 0.624525 O\n0.985518 0.645146 0.893428 O\n0.481977 0.869587 0.114166 O\n0.525290 0.372790 0.387983 O\n0.998539 0.362680 0.113651 O\n0.507917 0.145993 0.882394 O\n0.996613 0.872060 0.389433 O\n0.481765 0.634538 0.612175 O\n0.309554 0.315362 0.099734 O\n0.185688 0.201661 0.876986 O\n0.825283 0.180906 0.904605 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.534815290243726,
"density_atomic": 0.13698746993584296,
"volume": 408.7965127484081,
"volume_molar": 4.396125253514372,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.452403328571429,
"spacegroup": 1
},
{
"id": "jvasp-103794",
"created_at": "2022-09-04T14:37:05.988015Z",
"updated_at": "2022-09-04T14:37:05.988037Z",
"structure_string": "H10 C4 N2 O2\n1.0\n4.535152 0.106244 -0.499855\n-1.730735 4.313900 -0.900475\n-0.007019 0.135571 6.619078\nH C N O\n10 4 2 2\ndirect\n0.729433 0.691866 0.959211 H\n0.924822 0.534618 0.238161 H\n0.255573 0.867497 0.033105 H\n0.230077 0.689018 0.459028 H\n0.423766 0.538563 0.738403 H\n0.583484 -0.000044 0.242354 H\n0.757795 0.870504 0.533350 H\n0.294617 0.216352 0.450597 H\n0.786245 0.217967 0.949533 H\n0.082694 0.005219 0.744678 H\n0.823700 0.921322 0.703503 C\n0.681210 0.636289 0.787247 C\n0.324308 0.917756 0.203029 C\n0.182232 0.632867 0.287077 C\n0.687892 0.145888 0.793459 N\n0.191912 0.143842 0.295295 N\n0.825218 0.420058 0.710027 O\n0.326990 0.417007 0.210395 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4932331977159077,
"density_atomic": 0.13701706626574373,
"volume": 131.37049632261952,
"volume_molar": 4.3951756698104285,
"formula_full": "H10 C4 N2 O2",
"formula_reduced": "H5C2NO",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.260558527777777,
"spacegroup": 1
},
{
"id": "jvasp-88165",
"created_at": "2022-09-04T14:36:02.074773Z",
"updated_at": "2022-09-04T14:36:02.074798Z",
"structure_string": "Mg2 B24 C4\n1.0\n5.132388 -0.000000 2.281022\n2.025468 6.170701 2.357167\n0.002400 -0.000584 6.909145\nMg B C\n2 24 4\ndirect\n0.250000 0.111836 0.388164 Mg\n0.750001 0.888165 0.611836 Mg\n0.175252 0.137046 0.033051 B\n0.832885 0.146682 0.187550 B\n0.097180 0.903897 0.224760 B\n0.332885 0.687550 0.646682 B\n0.906355 0.275133 0.912158 B\n0.774164 0.903897 0.224760 B\n0.225836 0.096104 0.775240 B\n0.597180 0.724760 0.403897 B\n0.154652 0.533052 0.637047 B\n0.402820 0.275240 0.596103 B\n0.093646 0.724868 0.087842 B\n0.824749 0.862954 0.966949 B\n0.725837 0.275240 0.596103 B\n0.667116 0.312450 0.353319 B\n0.324749 0.466949 0.362954 B\n0.406355 0.412158 0.775133 B\n0.274164 0.724760 0.403897 B\n0.345348 0.862954 0.966949 B\n0.845349 0.466949 0.362954 B\n0.654652 0.137046 0.033051 B\n0.902821 0.096104 0.775240 B\n0.593646 0.587842 0.224868 B\n0.675252 0.533052 0.637047 B\n0.167116 0.853319 0.812451 B\n0.838282 0.532893 0.790544 C\n0.661719 0.709457 0.967108 C\n0.161718 0.467107 0.209456 C\n0.338282 0.290544 0.032893 C\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mg",
"B",
"C"
],
"chemical_system": "B-C-Mg",
"density": 2.7028481815124414,
"density_atomic": 0.1371201713112348,
"volume": 218.78619106962844,
"volume_molar": 4.391870796551858,
"formula_full": "Mg2 B24 C4",
"formula_reduced": "Mg(B6C)2",
"formula_anonymous": "AB2C12",
"energy_above_hull": 5.365965336666667,
"spacegroup": 74
},
{
"id": "jvasp-121005",
"created_at": "2022-09-04T14:38:52.697375Z",
"updated_at": "2022-09-04T14:38:52.697400Z",
"structure_string": "H3 O1 F1\n1.0\n2.071890 1.196206 2.451089\n-2.071890 1.196206 2.451089\n0.000000 -2.392413 2.451089\nH O F\n3 1 1\ndirect\n0.683626 0.271600 0.271598 H\n0.271600 0.271600 0.683624 H\n0.271600 0.683626 0.271598 H\n0.450972 0.450972 0.450970 O\n0.026206 0.026206 0.026206 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"H",
"O",
"F"
],
"chemical_system": "F-H-O",
"density": 1.7321943910657749,
"density_atomic": 0.13717876266636475,
"volume": 36.44879063503876,
"volume_molar": 4.389994954719464,
"formula_full": "H3 O1 F1",
"formula_reduced": "H3OF",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8667427564999997,
"spacegroup": 160
},
{
"id": "jvasp-58368",
"created_at": "2022-09-04T14:36:51.630046Z",
"updated_at": "2022-09-04T14:36:51.630055Z",
"structure_string": "Be4 O4\n1.0\n4.641912 0.000000 0.000000\n-0.000000 4.641912 0.000000\n0.000000 0.000000 2.705823\nBe O\n4 4\ndirect\n0.673411 0.326589 0.000000 Be\n0.826589 0.826589 0.500000 Be\n0.173411 0.173411 0.500000 Be\n0.326589 0.673411 0.000000 Be\n0.311367 0.311367 0.000000 O\n0.811367 0.188632 0.500000 O\n0.188632 0.811367 0.500000 O\n0.688632 0.688632 0.000000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Be",
"O"
],
"chemical_system": "Be-O",
"density": 2.849423887791533,
"density_atomic": 0.13721348568129005,
"volume": 58.30330714418147,
"volume_molar": 4.38888402994718,
"formula_full": "Be4 O4",
"formula_reduced": "BeO",
"formula_anonymous": "AB",
"energy_above_hull": 0.008575,
"spacegroup": 136
},
{
"id": "jvasp-52903",
"created_at": "2022-09-04T14:37:01.097614Z",
"updated_at": "2022-09-04T14:37:01.097638Z",
"structure_string": "Be4 H8 O8\n1.0\n4.487474 0.000000 0.000000\n0.000000 4.628182 0.000000\n0.000000 0.000000 7.014423\nBe H O\n4 8 8\ndirect\n0.960660 0.196339 0.873383 Be\n0.539338 0.803661 0.373383 Be\n0.460661 0.303661 0.126617 Be\n0.039339 0.696339 0.626617 Be\n0.364046 0.417961 0.785796 H\n0.135953 0.582039 0.285796 H\n0.635953 0.917961 0.714203 H\n0.864046 0.082039 0.214204 H\n0.227870 0.899221 0.075021 H\n0.772129 0.399221 0.424979 H\n0.727869 0.600778 0.924979 H\n0.272130 0.100778 0.575021 H\n0.336903 0.598423 0.227372 O\n0.821393 0.605364 0.447352 O\n0.678606 0.394635 0.947352 O\n0.321394 0.894635 0.552647 O\n0.178606 0.105365 0.052647 O\n0.836903 0.901576 0.772628 O\n0.663096 0.098423 0.272628 O\n0.163096 0.401576 0.727371 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Be",
"H",
"O"
],
"chemical_system": "Be-H-O",
"density": 1.96175349938497,
"density_atomic": 0.13728581593751266,
"volume": 145.68147381739166,
"volume_molar": 4.386571707262936,
"formula_full": "Be4 H8 O8",
"formula_reduced": "Be(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.15010262,
"spacegroup": 19
},
{
"id": "jvasp-85669",
"created_at": "2022-09-04T14:36:00.608219Z",
"updated_at": "2022-09-04T14:36:00.608254Z",
"structure_string": "H12 N4\n1.0\n3.437565 0.000000 0.000000\n0.000000 5.912974 0.000000\n0.000000 0.000000 5.733466\nH N\n12 4\ndirect\n0.624866 0.707132 0.269881 H\n0.875131 0.292867 0.769882 H\n0.124867 0.792867 0.730119 H\n0.375132 0.207132 0.230119 H\n0.018620 0.844501 0.185602 H\n0.481379 0.155498 0.685602 H\n0.518619 0.655498 0.814399 H\n0.981379 0.344502 0.314398 H\n0.771196 0.935490 0.412238 H\n0.728801 0.064509 0.912239 H\n0.271197 0.564509 0.587762 H\n0.228802 0.435491 0.087762 H\n0.741177 0.866135 0.248173 N\n0.758821 0.133864 0.748173 N\n0.241177 0.633864 0.751828 N\n0.258822 0.366136 0.251827 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 0.970650466879758,
"density_atomic": 0.13729219641748258,
"volume": 116.53976276515148,
"volume_molar": 4.386367846929681,
"formula_full": "H12 N4",
"formula_reduced": "H3N",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1409983125,
"spacegroup": 19
},
{
"id": "jvasp-97504",
"created_at": "2022-09-04T14:38:11.609822Z",
"updated_at": "2022-09-04T14:38:11.609847Z",
"structure_string": "Al8 H24 O24\n1.0\n8.703333 0.000000 0.000000\n0.000000 5.052889 -0.015184\n0.000000 0.028755 9.264123\nAl H O\n8 24 24\ndirect\n0.334536 0.968528 0.486850 Al\n0.665464 0.031472 0.513150 Al\n0.834536 0.531472 0.513150 Al\n0.165464 0.468528 0.486850 Al\n0.834538 0.968445 0.013153 Al\n0.165462 0.031554 0.986847 Al\n0.334538 0.531554 0.986847 Al\n0.665462 0.468445 0.013153 Al\n0.460841 0.173566 0.110782 H\n0.539158 0.826434 0.889218 H\n0.691202 0.170610 0.804513 H\n0.308798 0.829389 0.195487 H\n0.387972 0.158543 0.811726 H\n0.887971 0.341456 0.188274 H\n0.112028 0.658543 0.811727 H\n0.039159 0.673566 0.110782 H\n0.612028 0.841456 0.188274 H\n0.191202 0.329389 0.195487 H\n0.960841 0.326434 0.889218 H\n0.808798 0.670610 0.804513 H\n0.387977 0.341551 0.311701 H\n0.612023 0.658448 0.688299 H\n0.960903 0.173563 0.389243 H\n0.539096 0.673563 0.389243 H\n0.460903 0.326437 0.610757 H\n0.191226 0.170672 0.695487 H\n0.039097 0.826437 0.610757 H\n0.691225 0.329328 0.304513 H\n0.308774 0.670672 0.695487 H\n0.887977 0.158448 0.688299 H\n0.112023 0.841551 0.311702 H\n0.808774 0.829328 0.304513 H\n0.196385 0.729758 0.870129 O\n0.983306 0.135084 0.887050 O\n0.803614 0.270242 0.129871 O\n0.829505 0.643050 0.907957 O\n0.170494 0.356949 0.092043 O\n0.329506 0.856949 0.092044 O\n0.670494 0.143050 0.907956 O\n0.516693 0.635084 0.887050 O\n0.483307 0.364915 0.112950 O\n0.016693 0.864916 0.112950 O\n0.696368 0.729644 0.629863 O\n0.829496 0.856879 0.407951 O\n0.196368 0.770355 0.370137 O\n0.803631 0.229644 0.629863 O\n0.329496 0.643120 0.592049 O\n0.670504 0.356879 0.407951 O\n0.170504 0.143120 0.592049 O\n0.483330 0.135070 0.612953 O\n0.516670 0.864930 0.387047 O\n0.983330 0.364929 0.387047 O\n0.016670 0.635070 0.612953 O\n0.303614 0.229758 0.870129 O\n0.303632 0.270355 0.370137 O\n0.696385 0.770242 0.129871 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.543429937301163,
"density_atomic": 0.13745302602954756,
"volume": 407.41191094593995,
"volume_molar": 4.381235491101848,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4479819000000003,
"spacegroup": 61
},
{
"id": "jvasp-101982",
"created_at": "2022-09-04T14:37:05.482751Z",
"updated_at": "2022-09-04T14:37:05.482772Z",
"structure_string": "H40 C20\n1.0\n8.553841 0.000000 -3.731294\n0.000000 5.200534 0.000000\n-0.028544 0.000000 9.817612\nH C\n40 20\ndirect\n0.480242 0.120644 0.176019 H\n0.919910 0.698751 0.308897 H\n0.080090 0.301249 0.691104 H\n0.031357 0.774126 0.067384 H\n0.968643 0.225874 0.932616 H\n0.968643 0.274126 0.432616 H\n0.031358 0.725873 0.567384 H\n0.199850 0.644290 0.210828 H\n0.800150 0.144290 0.289172 H\n0.199850 0.855709 0.710828 H\n0.185930 0.965683 0.949509 H\n0.814071 0.034317 0.050492 H\n0.814071 0.465683 0.550492 H\n0.185929 0.534316 0.449509 H\n0.332491 0.747971 0.058226 H\n0.667510 0.252029 0.941774 H\n0.667509 0.247971 0.441774 H\n0.332491 0.752028 0.558226 H\n0.919911 0.801248 0.808897 H\n0.080090 0.198751 0.191104 H\n0.800151 0.355709 0.789172 H\n0.870756 0.484077 0.155865 H\n0.129244 0.515922 0.844135 H\n0.519758 0.879355 0.823981 H\n0.519758 0.620644 0.323981 H\n0.480243 0.379355 0.676019 H\n0.311899 0.317293 0.097457 H\n0.688102 0.682707 0.902543 H\n0.311899 0.182707 0.597457 H\n0.353272 0.321957 0.358797 H\n0.646728 0.678042 0.641203 H\n0.688102 0.817292 0.402543 H\n0.870757 0.015922 0.655865 H\n0.353272 0.178043 0.858797 H\n0.409234 0.992998 0.381332 H\n0.590766 0.007001 0.618668 H\n0.590766 0.492999 0.118668 H\n0.409235 0.507001 0.881332 H\n0.129244 0.984077 0.344135 H\n0.646728 0.821956 0.141203 H\n0.160618 0.457743 0.751826 C\n0.151844 0.819921 0.145179 C\n0.848156 0.180078 0.854822 C\n0.742867 0.093742 0.935193 C\n0.151844 0.680077 0.645178 C\n0.257133 0.906257 0.064808 C\n0.839382 0.542257 0.248175 C\n0.848156 0.319922 0.354822 C\n0.839382 0.957742 0.748175 C\n0.355961 0.134965 0.157119 C\n0.330456 0.366007 0.802416 C\n0.669544 0.633993 0.197584 C\n0.669544 0.866006 0.697584 C\n0.330456 0.133993 0.302416 C\n0.355961 0.365035 0.657119 C\n0.644039 0.634964 0.342882 C\n0.644039 0.865035 0.842882 C\n0.742867 0.406258 0.435193 C\n0.160618 0.042257 0.251826 C\n0.257133 0.593742 0.564807 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.067989677257328,
"density_atomic": 0.13755849613148502,
"volume": 436.1780746908509,
"volume_molar": 4.377876270356829,
"formula_full": "H40 C20",
"formula_reduced": "H2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.26792,
"spacegroup": 14
},
{
"id": "jvasp-35150",
"created_at": "2022-09-04T14:37:35.948033Z",
"updated_at": "2022-09-04T14:37:35.948060Z",
"structure_string": "Ga1 B3 N4\n1.0\n3.874254 -0.000000 0.000000\n0.000000 3.874254 -0.000000\n-0.000000 0.000000 3.874254\nGa B N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.727265 0.727265 0.272735 N\n0.727265 0.272735 0.727265 N\n0.272735 0.727265 0.727265 N\n0.272735 0.272735 0.272735 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"B",
"N"
],
"chemical_system": "B-Ga-N",
"density": 4.5169375472824616,
"density_atomic": 0.137570627012618,
"volume": 58.15194837533334,
"volume_molar": 4.377490232306384,
"formula_full": "Ga1 B3 N4",
"formula_reduced": "GaB3N4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.7932553843750005,
"spacegroup": 215
},
{
"id": "jvasp-828",
"created_at": "2022-09-04T14:37:52.249025Z",
"updated_at": "2022-09-04T14:37:52.249047Z",
"structure_string": "B12\n1.0\n4.286671 -0.004447 2.664594\n1.478909 4.023480 2.664594\n-0.006380 -0.004447 5.047333\nB\n12\ndirect\n0.009804 0.654471 0.009803 B\n0.009804 0.009803 0.654470 B\n0.654471 0.009803 0.009804 B\n0.345530 0.990195 0.990195 B\n0.990196 0.345528 0.990195 B\n0.990196 0.990195 0.345528 B\n0.220638 0.631586 0.220637 B\n0.220638 0.220637 0.631586 B\n0.631587 0.220637 0.220637 B\n0.368414 0.779361 0.779361 B\n0.779363 0.368412 0.779361 B\n0.779362 0.779361 0.368412 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.4708112850685735,
"density_atomic": 0.1376336449470123,
"volume": 87.18798375658722,
"volume_molar": 4.375485923023015,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy_above_hull": 2.583333333916471e-06,
"spacegroup": 166
}
]
}