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=spacegroup&page=64",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=62",
"results": [
{
"id": "jvasp-112092",
"created_at": "2022-09-04T14:38:41.459658Z",
"updated_at": "2022-09-04T14:38:41.459686Z",
"structure_string": "H8 C10 S2 O4\n1.0\n5.568839 -0.126971 -0.590730\n-2.333265 5.970777 -2.133712\n-0.103980 -0.020082 7.792791\nH C S O\n8 10 2 4\ndirect\n0.885622 0.992136 0.888123 H\n0.885837 0.992034 0.388142 H\n0.334009 0.053402 0.395198 H\n0.333859 0.053376 0.895213 H\n0.794951 0.381953 0.593759 H\n0.794847 0.381855 0.093776 H\n0.617578 0.969851 0.715672 H\n0.617664 0.969731 0.215793 H\n0.823344 0.993480 0.249749 C\n0.823242 0.993570 0.749703 C\n0.222404 0.311578 0.844341 C\n0.222426 0.311555 0.344351 C\n0.650656 0.615095 0.028477 C\n0.635773 0.407469 0.022273 C\n0.635836 0.407530 0.522267 C\n0.388204 0.230755 0.915302 C\n0.388291 0.230777 0.415295 C\n0.650637 0.615145 0.528495 C\n0.357842 0.602607 0.404375 S\n0.357909 0.602622 0.904351 S\n0.968931 0.201820 0.239433 O\n0.864779 0.815124 0.610331 O\n0.864828 0.815055 0.110309 O\n0.968919 0.201890 0.739397 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6615465209058262,
"density_atomic": 0.09369776444688133,
"volume": 256.14271740288916,
"volume_molar": 6.42719791187125,
"formula_full": "H8 C10 S2 O4",
"formula_reduced": "H4C5SO2",
"formula_anonymous": "AB2C4D5",
"energy_above_hull": 4.7839055833333335,
"spacegroup": 1
},
{
"id": "jvasp-112035",
"created_at": "2022-09-04T14:38:41.176693Z",
"updated_at": "2022-09-04T14:38:41.176717Z",
"structure_string": "C6 S4 O4\n1.0\n4.414116 -0.089355 -0.200820\n-0.344800 5.024310 -0.371853\n-0.302712 -0.047335 10.424219\nC S O\n6 4 4\ndirect\n0.669943 0.150463 0.204693 C\n0.669945 0.650464 0.704693 C\n0.159960 0.612603 0.804055 C\n0.159961 0.112605 0.304055 C\n0.369931 0.264249 0.223772 C\n0.369934 0.764247 0.723773 C\n0.250384 0.380097 0.892045 S\n0.250383 0.880100 0.392046 S\n0.722035 0.971397 0.074114 S\n0.722037 0.471397 0.574114 S\n0.303338 0.468002 0.175405 O\n0.303340 0.968000 0.675406 O\n0.872379 0.216352 0.308622 O\n0.872379 0.716348 0.808623 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"C",
"S",
"O"
],
"chemical_system": "C-O-S",
"density": 1.9044456167695119,
"density_atomic": 0.0607455586678063,
"volume": 230.46952414349374,
"volume_molar": 9.913713680588128,
"formula_full": "C6 S4 O4",
"formula_reduced": "C3(SO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.347975285714286,
"spacegroup": 1
},
{
"id": "jvasp-112037",
"created_at": "2022-09-04T14:38:41.234325Z",
"updated_at": "2022-09-04T14:38:41.234350Z",
"structure_string": "H16 C20 S2 N4\n1.0\n5.491965 -0.046831 -0.873567\n-1.413372 6.715505 -1.255539\n-0.050446 0.354284 11.000001\nH C S N\n16 20 2 4\ndirect\n0.489212 0.837100 0.228451 H\n0.698678 0.586336 0.798201 H\n0.198676 0.586336 0.298201 H\n0.586755 0.775559 0.012901 H\n0.292538 0.523910 0.083113 H\n0.792536 0.523909 0.583112 H\n0.667807 0.960042 0.850903 H\n0.167804 0.960042 0.350903 H\n0.086753 0.775559 0.512901 H\n0.129611 0.361884 0.428255 H\n0.654817 0.203756 0.348892 H\n0.154822 0.203756 0.848894 H\n0.580412 0.427920 0.180692 H\n0.080414 0.427918 0.680693 H\n0.989215 0.837099 0.728450 H\n0.629612 0.361886 0.928255 H\n0.811802 0.821178 0.363166 C\n0.311805 0.821177 0.863166 C\n0.476492 0.533680 0.444405 C\n0.976493 0.533680 0.944404 C\n0.393552 0.628170 0.346126 C\n0.057746 0.769953 0.806718 C\n0.893554 0.628170 0.846125 C\n0.226553 0.592121 0.005028 C\n0.557743 0.769953 0.306719 C\n0.726549 0.592121 0.505027 C\n0.414453 0.087752 0.746186 C\n0.891928 0.734079 0.465291 C\n0.836909 0.300082 0.083315 C\n0.336909 0.300080 0.583316 C\n0.914449 0.087753 0.246186 C\n0.703636 0.324099 0.176894 C\n0.203637 0.324098 0.676895 C\n0.746114 0.204846 0.268677 C\n0.246117 0.204845 0.768677 C\n0.391931 0.734079 0.965291 C\n0.518844 0.119870 0.606772 S\n0.018845 0.119872 0.106773 S\n0.984243 0.947821 0.314912 N\n0.309245 0.380038 0.473847 N\n0.809245 0.380039 0.973847 N\n0.484247 0.947820 0.814912 N\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5340267440161262,
"density_atomic": 0.10305537194609352,
"volume": 407.5478959211313,
"volume_molar": 5.843597132568768,
"formula_full": "H16 C20 S2 N4",
"formula_reduced": "H8C10SN2",
"formula_anonymous": "AB2C8D10",
"energy_above_hull": 5.623191738095239,
"spacegroup": 1
},
{
"id": "jvasp-116353",
"created_at": "2022-09-04T14:38:41.325154Z",
"updated_at": "2022-09-04T14:38:41.325173Z",
"structure_string": "Na1 H3\n1.0\n3.596023 -0.691407 -0.008179\n1.035773 -3.497962 -0.284599\n-1.115361 0.684481 -5.028567\nNa H\n1 3\ndirect\n0.958250 0.761156 0.455013 Na\n0.015177 0.025281 -0.063729 H\n0.614953 0.419691 0.454632 H\n0.190784 0.827980 -0.002398 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"H"
],
"chemical_system": "H-Na",
"density": 0.7180391727617151,
"density_atomic": 0.06649037046777474,
"volume": 60.15908727623411,
"volume_molar": 9.057162289265172,
"formula_full": "Na1 H3",
"formula_reduced": "NaH3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7302197500000005,
"spacegroup": 1
},
{
"id": "jvasp-112085",
"created_at": "2022-09-04T14:38:41.429359Z",
"updated_at": "2022-09-04T14:38:41.429392Z",
"structure_string": "Al1 H8 C5 Cl1 O5\n1.0\n5.254432 -0.126352 0.507822\n1.429944 5.227233 0.911337\n-0.281040 -0.172319 7.178374\nAl H C Cl O\n1 8 5 1 5\ndirect\n0.179051 0.679716 0.395673 Al\n0.568277 0.210868 0.601001 H\n0.757903 0.915518 0.696508 H\n0.466526 0.885905 0.966474 H\n0.201514 0.108920 0.852321 H\n0.459203 0.446566 0.848193 H\n0.682051 0.237797 0.001625 H\n0.742661 0.954463 0.302948 H\n0.975797 0.109464 0.222570 H\n0.554057 0.028992 0.679238 C\n0.413671 0.063479 0.870677 C\n0.291073 0.376209 0.110822 C\n0.425581 0.901756 0.555088 C\n0.479541 0.280233 0.955866 C\n0.945423 0.433678 0.542956 Cl\n0.271493 0.760981 0.623369 O\n0.378703 0.506352 0.223618 O\n0.063219 0.348767 0.123360 O\n0.455462 0.920566 0.375616 O\n0.936125 0.942845 0.279771 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.748666101736721,
"density_atomic": 0.10003120876780205,
"volume": 199.93760193806216,
"volume_molar": 6.020261910439296,
"formula_full": "Al1 H8 C5 Cl1 O5",
"formula_reduced": "AlH8C5ClO5",
"formula_anonymous": "ABC5D5E8",
"energy_above_hull": 4.039540718375,
"spacegroup": 1
},
{
"id": "jvasp-116167",
"created_at": "2022-09-04T14:38:41.513619Z",
"updated_at": "2022-09-04T14:38:41.513636Z",
"structure_string": "Hg1 Cl3\n1.0\n5.027757 -0.503968 -0.110066\n0.867301 -6.415749 0.499467\n1.194387 -0.667467 -3.770523\nHg Cl\n1 3\ndirect\n0.062488 0.976559 0.879675 Hg\n0.465134 0.680955 0.138610 Cl\n0.951959 0.694448 0.635694 Cl\n0.078517 0.237784 0.235669 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 4.227327125465378,
"density_atomic": 0.03317496912766131,
"volume": 120.57283262593296,
"volume_molar": 18.15266424763222,
"formula_full": "Hg1 Cl3",
"formula_reduced": "HgCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.056631016875,
"spacegroup": 1
},
{
"id": "jvasp-112113",
"created_at": "2022-09-04T14:38:41.636366Z",
"updated_at": "2022-09-04T14:38:41.636384Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.754920 0.138088 0.640458\n1.093805 4.366426 0.621918\n0.192280 0.259845 11.352759\nCd H C O\n1 10 7 4\ndirect\n0.945220 0.891851 0.202061 Cd\n0.422936 0.742709 0.548698 H\n0.534753 0.666236 0.778804 H\n0.077603 0.641098 0.822427 H\n0.217079 0.183845 0.707667 H\n0.671786 0.212531 0.657041 H\n0.782478 0.180184 0.902557 H\n0.386310 0.058057 0.910617 H\n0.098310 0.232389 0.508610 H\n0.929254 0.616630 0.440064 H\n-0.027617 0.741164 0.618057 H\n0.478331 0.392179 0.370194 C\n0.168385 0.450993 0.475600 C\n0.240920 0.589640 0.581533 C\n0.386435 0.350033 0.685190 C\n0.364709 0.501246 0.798380 C\n0.479031 0.267559 0.907143 C\n0.324738 0.387758 0.028941 C\n0.136589 0.669113 0.030869 O\n0.490092 0.614967 0.284391 O\n0.710007 0.126541 0.370025 O\n0.380391 0.196026 0.124983 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.448735937352078,
"density_atomic": 0.11990776085184601,
"volume": 183.47436265766365,
"volume_molar": 5.0223110807988105,
"formula_full": "Cd1 H10 C7 O4",
"formula_reduced": "CdH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.349346079545454,
"spacegroup": 1
},
{
"id": "jvasp-113509",
"created_at": "2022-09-04T14:38:42.947606Z",
"updated_at": "2022-09-04T14:38:42.947631Z",
"structure_string": "Ba1 Te3\n1.0\n6.592498 -0.172452 0.022844\n-4.590513 -4.731598 -0.197778\n0.536374 2.819904 -5.208351\nBa Te\n1 3\ndirect\n0.613337 0.274477 0.653823 Ba\n0.087307 0.090325 0.013523 Te\n-0.098382 -0.067511 0.497701 Te\n0.005626 0.505332 0.228312 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Te"
],
"chemical_system": "Ba-Te",
"density": 5.079197844626779,
"density_atomic": 0.0235232121222713,
"volume": 170.04480422182144,
"volume_molar": 25.600843663261273,
"formula_full": "Ba1 Te3",
"formula_reduced": "BaTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7733788833333334,
"spacegroup": 1
},
{
"id": "jvasp-112457",
"created_at": "2022-09-04T14:38:41.491933Z",
"updated_at": "2022-09-04T14:38:41.491964Z",
"structure_string": "Mn6 O5 F7\n1.0\n4.688415 -0.021543 0.241923\n0.342964 5.602676 0.419209\n0.064079 0.052827 7.689872\nMn O F\n6 5 7\ndirect\n0.515916 0.480271 0.000612 Mn\n0.529046 0.855717 0.678278 Mn\n0.482214 0.181231 0.331514 Mn\n0.994210 0.323850 0.671595 Mn\n0.025885 0.655093 0.326761 Mn\n0.967170 0.005290 0.993674 Mn\n0.309865 0.457882 0.223059 O\n0.297932 0.136403 0.558027 O\n0.706324 0.532231 0.781556 O\n0.700172 0.203851 0.105408 O\n0.820862 0.048026 0.775019 O\n0.794284 0.380482 0.434553 F\n0.775735 0.696582 0.097621 F\n0.698079 0.877808 0.414692 F\n0.281295 0.782762 0.913297 F\n0.189949 0.622701 0.578517 F\n0.180978 0.966518 0.212228 F\n0.230071 0.293319 0.903584 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.463537869589766,
"density_atomic": 0.08916852087564518,
"volume": 201.8649611234763,
"volume_molar": 6.753662279986123,
"formula_full": "Mn6 O5 F7",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.42533682920977,
"spacegroup": 1
},
{
"id": "jvasp-112505",
"created_at": "2022-09-04T14:38:41.486362Z",
"updated_at": "2022-09-04T14:38:41.486380Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.893887 -0.060699 -0.899082\n-0.936718 4.731274 -0.855835\n0.063562 0.135654 9.878676\nLi Mn Co O\n8 2 4 14\ndirect\n0.427427 0.706236 0.921386 Li\n0.570996 0.289382 0.074107 Li\n0.286079 0.142212 0.775786 Li\n0.148530 0.575033 0.630769 Li\n0.003784 0.989911 0.498920 Li\n0.856553 0.437837 0.369694 Li\n0.708928 0.864916 0.230471 Li\n0.434073 0.716807 0.434367 Li\n0.997572 0.998237 0.997636 Mn\n0.146851 0.574987 0.150486 Mn\n0.714570 0.856081 0.711375 Co\n0.857685 0.427583 0.855808 Co\n0.284206 0.143652 0.287541 Co\n0.570661 0.284303 0.568797 Co\n0.617564 0.091471 0.394470 O\n0.668616 0.074552 0.890707 O\n0.807327 0.647098 0.030340 O\n0.532252 0.503323 0.746012 O\n0.388137 0.941533 0.612596 O\n0.233891 0.334436 0.459886 O\n0.075444 0.785692 0.308390 O\n0.945086 0.216739 0.170880 O\n0.191853 0.352269 0.967840 O\n0.331647 0.922309 0.107841 O\n0.051856 0.783377 0.828026 O\n0.901441 0.211855 0.684986 O\n0.778139 0.638896 0.547968 O\n0.468818 0.489245 0.242914 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.530429428485026,
"density_atomic": 0.12220220020827458,
"volume": 229.1284441055756,
"volume_molar": 4.928013366155602,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.554892395812808,
"spacegroup": 1
},
{
"id": "jvasp-115024",
"created_at": "2022-09-04T14:38:41.525647Z",
"updated_at": "2022-09-04T14:38:41.525673Z",
"structure_string": "Ge3 N1\n1.0\n2.927457 -0.032864 -0.086099\n-1.649206 -4.314188 -0.196302\n0.278557 -1.838191 -5.651020\nGe N\n3 1\ndirect\n0.141191 0.214322 0.862161 Ge\n0.488325 0.806418 0.550443 Ge\n0.411024 0.521907 0.239258 Ge\n0.145979 0.095075 0.550188 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"N"
],
"chemical_system": "Ge-N",
"density": 5.481607580906655,
"density_atomic": 0.05693352676463876,
"volume": 70.25737254141768,
"volume_molar": 10.577494671804406,
"formula_full": "Ge3 N1",
"formula_reduced": "Ge3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.933982775,
"spacegroup": 1
},
{
"id": "jvasp-112108",
"created_at": "2022-09-04T14:38:41.589187Z",
"updated_at": "2022-09-04T14:38:41.589217Z",
"structure_string": "Ti1 H16 C9 O4\n1.0\n4.556527 -0.102920 -1.052477\n-2.181343 6.590066 -0.640428\n-0.214904 0.274289 8.627007\nTi H C O\n1 16 9 4\ndirect\n0.154655 0.655174 0.382808 Ti\n0.966116 0.221776 0.969341 H\n0.044569 0.264187 0.404342 H\n0.728853 0.958629 0.439794 H\n0.486781 0.004233 0.560280 H\n0.397931 0.038052 0.351003 H\n0.797887 0.060202 0.783787 H\n0.930784 0.303204 0.196816 H\n0.334085 0.333441 0.294472 H\n0.398563 0.230873 0.701285 H\n0.989038 0.377810 0.690409 H\n0.035819 0.563027 0.847843 H\n0.642809 0.719587 0.911865 H\n0.932667 0.904244 0.062597 H\n0.486480 0.072954 0.056804 H\n0.295889 0.919032 0.866999 H\n0.535303 0.381734 0.892645 H\n0.526237 0.992497 0.954963 C\n0.677840 0.833765 0.014432 C\n0.858462 0.456817 0.744471 C\n0.609070 0.304266 0.802814 C\n0.567879 0.720187 0.144033 C\n0.751661 0.582932 0.619793 C\n0.118476 0.351973 0.310645 C\n0.490833 0.948934 0.439831 C\n0.741370 0.144209 0.877508 C\n0.961992 0.684527 0.554690 O\n0.758503 0.644672 0.234738 O\n0.302174 0.700870 0.162479 O\n0.477147 0.588126 0.583403 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.5251910935858721,
"density_atomic": 0.1167139090795561,
"volume": 257.03877315557133,
"volume_molar": 5.1597455757352,
"formula_full": "Ti1 H16 C9 O4",
"formula_reduced": "TiH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.656605077777778,
"spacegroup": 1
}
]
}