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=4466",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4464",
"results": [
{
"id": "jvasp-3165",
"created_at": "2022-09-04T14:35:59.032580Z",
"updated_at": "2022-09-04T14:35:59.032606Z",
"structure_string": "K4 Zn1 P2\n1.0\n5.370062 0.021277 7.593705\n2.429261 4.789228 7.593705\n0.034497 0.021277 9.300576\nK Zn P\n4 1 2\ndirect\n0.208425 0.208426 0.208425 K\n0.791574 0.791576 0.791573 K\n0.384729 0.384730 0.384728 K\n0.615271 0.615272 0.615270 K\n0.000000 0.000000 0.000000 Zn\n0.085094 0.085094 0.085094 P\n0.914905 0.914908 0.914905 P\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Zn",
"P"
],
"chemical_system": "K-P-Zn",
"density": 1.9881618055155201,
"density_atomic": 0.02953692097838118,
"volume": 236.99152681227258,
"volume_molar": 20.38851904844028,
"formula_full": "K4 Zn1 P2",
"formula_reduced": "K4ZnP2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0566199285714285,
"spacegroup": 166
},
{
"id": "jvasp-9139",
"created_at": "2022-09-04T14:38:36.221207Z",
"updated_at": "2022-09-04T14:38:36.221242Z",
"structure_string": "N6 O12\n1.0\n6.307969 0.000000 -2.230204\n-3.153985 5.462862 -2.230204\n-0.000000 -0.000000 6.690612\nN O\n6 12\ndirect\n0.381226 0.000000 0.381226 N\n0.000000 0.618774 0.618775 N\n0.381226 0.381225 0.000000 N\n0.618775 0.618774 0.000001 N\n0.000000 0.381225 0.381226 N\n0.618774 0.000000 0.618775 N\n0.822446 0.143611 0.678837 O\n0.143611 0.321165 0.464775 O\n0.321165 0.464774 0.143611 O\n0.678837 0.535225 0.856390 O\n0.856389 0.321165 0.177555 O\n0.321165 0.177554 0.856389 O\n0.856390 0.678836 0.535226 O\n0.177554 0.856389 0.321165 O\n0.143611 0.678836 0.822446 O\n0.464775 0.143611 0.321165 O\n0.678837 0.822446 0.143612 O\n0.535226 0.856389 0.678837 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"N",
"O"
],
"chemical_system": "N-O",
"density": 1.9880828444708707,
"density_atomic": 0.07807228311451163,
"volume": 230.55557339854795,
"volume_molar": 7.7135450889364865,
"formula_full": "N6 O12",
"formula_reduced": "NO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8893200833333337,
"spacegroup": 204
},
{
"id": "jvasp-101873",
"created_at": "2022-09-04T14:36:44.578153Z",
"updated_at": "2022-09-04T14:36:44.578172Z",
"structure_string": "Sn1 H14 C8 O4\n1.0\n4.713229 0.140591 -0.701913\n-1.281561 6.724990 -0.465808\n-0.034198 0.157891 7.665598\nSn H C O\n1 14 8 4\ndirect\n0.174265 0.698076 0.270463 Sn\n0.379288 0.082381 0.788924 H\n0.406071 0.369896 0.203197 H\n0.140062 0.954620 0.536326 H\n0.942371 0.026224 0.337646 H\n0.329836 0.080637 0.377054 H\n0.606829 0.237427 0.957923 H\n0.018605 0.315535 0.163785 H\n0.741642 0.158639 0.582922 H\n0.969189 0.313680 0.751923 H\n0.579900 0.526141 0.767337 H\n0.355851 0.377734 0.593804 H\n0.768513 0.869891 0.773535 H\n-0.007351 0.018332 0.947008 H\n0.208403 0.441582 0.004543 H\n0.764366 0.967271 0.891958 C\n0.584115 0.428801 0.648897 C\n0.741426 0.256992 0.700966 C\n0.607054 0.139076 0.839878 C\n0.639469 0.837731 0.024238 C\n0.206739 0.420253 0.145186 C\n0.141728 0.975909 0.395677 C\n0.709074 0.558401 0.516676 C\n0.939274 0.522313 0.465252 O\n0.409347 0.873881 0.075730 O\n0.767212 0.694610 0.077567 O\n0.581321 0.701512 0.463335 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.9877958343345277,
"density_atomic": 0.110347019299169,
"volume": 244.68264001584438,
"volume_molar": 5.457456665569717,
"formula_full": "Sn1 H14 C8 O4",
"formula_reduced": "SnH14(C2O)4",
"formula_anonymous": "AB4C8D14",
"energy_above_hull": 4.462989840740741,
"spacegroup": 2
},
{
"id": "jvasp-112049",
"created_at": "2022-09-04T14:38:43.295719Z",
"updated_at": "2022-09-04T14:38:43.295744Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.186412 -0.190639 -0.182048\n-1.322724 4.234221 -0.273169\n0.182758 -0.174150 10.694502\nZn H C O\n1 10 7 4\ndirect\n0.126632 0.935526 0.182657 Zn\n0.596979 0.160430 0.526683 H\n0.403554 0.135173 0.769217 H\n0.835416 0.253222 0.819389 H\n0.958097 0.756385 0.710721 H\n0.532634 0.635566 0.654113 H\n0.341278 0.611479 0.887560 H\n0.785450 0.783318 0.920562 H\n0.760659 0.682320 0.430623 H\n0.163741 0.805907 0.505408 H\n0.011144 0.255753 0.593575 H\n0.084045 0.458221 0.349706 C\n0.956455 0.590625 0.465197 C\n0.820980 0.361945 0.565628 C\n0.734810 0.542108 0.680731 C\n0.632980 0.346501 0.793367 C\n0.573185 0.555127 0.906209 C\n0.538178 0.395411 0.026984 C\n0.745101 0.518445 0.120136 O\n0.288440 0.651366 0.282367 O\n0.982563 0.153770 0.325285 O\n0.291410 0.126185 0.028893 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9874770295604929,
"density_atomic": 0.11778225151855952,
"volume": 186.78535786466395,
"volume_molar": 5.11294416803627,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.367136109090909,
"spacegroup": 1
},
{
"id": "jvasp-92199",
"created_at": "2022-09-04T14:37:41.280447Z",
"updated_at": "2022-09-04T14:37:41.280465Z",
"structure_string": "K1 Mg6 Ti1\n1.0\n6.600542 0.000992 0.000000\n-3.299413 5.716733 0.000000\n0.000000 0.000000 5.154630\nK Mg Ti\n1 6 1\ndirect\n0.416654 0.083345 0.750000 K\n0.064629 0.907242 0.250000 Mg\n0.592757 0.435371 0.250000 Mg\n0.592668 0.907331 0.250000 Mg\n0.397148 0.573576 0.750000 Mg\n0.926424 0.102852 0.750000 Mg\n0.926389 0.573610 0.750000 Mg\n0.083332 0.416668 0.250000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Ti"
],
"chemical_system": "K-Mg-Ti",
"density": 1.9872871819112805,
"density_atomic": 0.041127026685329984,
"volume": 194.51928925495605,
"volume_molar": 14.64278175535626,
"formula_full": "K1 Mg6 Ti1",
"formula_reduced": "KMg6Ti",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-99802",
"created_at": "2022-09-04T14:36:15.081534Z",
"updated_at": "2022-09-04T14:36:15.081561Z",
"structure_string": "Li6 Y2\n1.0\n6.505129 0.000000 0.000000\n-3.252564 5.633606 -0.000000\n-0.000000 -0.000000 5.004424\nLi Y\n6 2\ndirect\n0.152286 0.304572 0.250000 Li\n0.695429 0.847715 0.250000 Li\n0.152286 0.847715 0.250000 Li\n0.847716 0.695429 0.749999 Li\n0.304572 0.152285 0.749999 Li\n0.847715 0.152285 0.749999 Li\n0.333334 0.666667 0.749999 Y\n0.666667 0.333333 0.250000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Y"
],
"chemical_system": "Li-Y",
"density": 1.987025493141559,
"density_atomic": 0.043620787851297554,
"volume": 183.39879663044715,
"volume_molar": 13.805667106539582,
"formula_full": "Li6 Y2",
"formula_reduced": "Li3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2952663625,
"spacegroup": 194
},
{
"id": "jvasp-112185",
"created_at": "2022-09-04T14:38:45.896689Z",
"updated_at": "2022-09-04T14:38:45.896707Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.858700 -0.028515 0.387548\n1.640046 4.159224 0.499010\n0.177804 -0.021064 16.977612\nCd H C O\n1 18 11 4\ndirect\n0.117390 -0.019451 0.847087 Cd\n0.694000 0.683653 0.501603 H\n0.677231 0.178666 0.580595 H\n0.350768 0.419378 0.128432 H\n0.813674 0.253939 0.272172 H\n0.326674 0.384420 0.274496 H\n0.760761 0.212801 0.425714 H\n0.275144 0.344789 0.423798 H\n0.209205 0.822677 0.497326 H\n0.838559 0.297600 0.119484 H\n0.823569 0.160673 0.005814 H\n0.396643 0.980175 0.047915 H\n0.799780 0.765565 0.191856 H\n0.311468 0.901229 0.196674 H\n0.761645 0.722988 0.347153 H\n0.274708 0.860469 0.347302 H\n0.585799 0.659684 0.656413 H\n0.110279 0.799742 0.644627 H\n0.194783 0.309008 0.573249 H\n0.693648 0.624570 0.972230 C\n0.560373 0.725601 0.045421 C\n0.581120 0.512144 0.121094 C\n0.563765 0.682507 0.195571 C\n0.559366 0.471090 0.272581 C\n0.423984 0.395048 0.576058 C\n0.507226 0.430494 0.424349 C\n0.459429 0.602205 0.499827 C\n0.356908 0.578600 0.650104 C\n0.288060 0.396859 0.727147 C\n0.526121 0.640823 0.347752 C\n0.886882 0.297511 0.961713 O\n0.352850 0.460593 0.794359 O\n0.158174 0.176610 0.722521 O\n0.668644 0.804019 0.904315 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9869193916293093,
"density_atomic": 0.1245379900855703,
"volume": 273.0090631512403,
"volume_molar": 4.83558531486029,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.564842169117648,
"spacegroup": 1
},
{
"id": "jvasp-112101",
"created_at": "2022-09-04T14:38:42.906415Z",
"updated_at": "2022-09-04T14:38:42.906443Z",
"structure_string": "H2 C6 S2 N2 O4\n1.0\n4.867048 0.057081 0.555808\n1.946292 6.117018 1.367133\n0.001782 -0.095634 6.470801\nH C S N O\n2 6 2 2 4\ndirect\n0.211814 0.178614 0.605224 H\n0.711817 0.678614 0.105223 H\n0.669337 0.244415 0.721220 C\n0.410226 0.214016 0.860210 C\n0.169340 0.744415 0.221220 C\n0.910230 0.714015 0.360210 C\n0.393096 0.785255 0.337375 C\n0.893093 0.285255 0.837376 C\n0.699982 0.245104 0.468540 S\n0.199985 0.745105 0.968539 S\n0.174996 0.218343 0.753877 N\n0.674999 0.718344 0.253876 N\n0.322030 0.880616 0.489800 O\n0.822027 0.380617 0.989800 O\n0.409934 0.179855 0.053156 O\n0.909938 0.679853 0.553154 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9863858511108357,
"density_atomic": 0.08313605480920006,
"volume": 192.45560830040012,
"volume_molar": 7.243717270227712,
"formula_full": "H2 C6 S2 N2 O4",
"formula_reduced": "HC3SNO2",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.70525628125,
"spacegroup": 1
},
{
"id": "jvasp-67682",
"created_at": "2022-09-04T14:35:46.932176Z",
"updated_at": "2022-09-04T14:35:46.932209Z",
"structure_string": "Na1 Sc1 Be1\n1.0\n-1.567383 1.567383 6.546797\n1.567383 -1.567383 6.546797\n1.567383 1.567383 -6.546797\nNa Sc Be\n1 1 1\ndirect\n0.642671 0.642671 0.000000 Na\n0.374487 0.374487 0.000000 Sc\n0.982845 0.982845 0.000000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Sc",
"Be"
],
"chemical_system": "Be-Na-Sc",
"density": 1.9863829023002526,
"density_atomic": 0.046631794082641106,
"volume": 64.33378897417896,
"volume_molar": 12.914237760888057,
"formula_full": "Na1 Sc1 Be1",
"formula_reduced": "NaScBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.213636783333333,
"spacegroup": 107
},
{
"id": "jvasp-88329",
"created_at": "2022-09-04T14:36:03.457472Z",
"updated_at": "2022-09-04T14:36:03.457502Z",
"structure_string": "P4 H16 N4 O8 F8\n1.0\n7.795155 0.000000 0.000000\n0.000000 6.521148 -0.000000\n0.000000 -0.000000 7.830911\nP H N O F\n4 16 4 8 8\ndirect\n0.618752 0.250000 0.826823 P\n0.118753 0.250000 0.673177 P\n0.381247 0.750000 0.173177 P\n0.881247 0.750000 0.326823 P\n0.543084 0.379806 0.325497 H\n0.956915 0.620194 0.825497 H\n0.456915 0.879806 0.674503 H\n0.956915 0.879806 0.825497 H\n0.456915 0.620194 0.674503 H\n0.043085 0.379806 0.174503 H\n0.543084 0.120194 0.325497 H\n0.043085 0.120194 0.174503 H\n0.269999 0.750000 0.707249 H\n0.230000 0.250000 0.207249 H\n0.730000 0.250000 0.292751 H\n0.860482 0.750000 0.987388 H\n0.360482 0.750000 0.512611 H\n0.139517 0.250000 0.012611 H\n0.639517 0.250000 0.487388 H\n0.769999 0.750000 0.792751 H\n0.615393 0.250000 0.357858 N\n0.115394 0.250000 0.142142 N\n0.384606 0.750000 0.642142 N\n0.884606 0.750000 0.857858 N\n0.118780 0.051986 0.767284 O\n0.618780 0.448014 0.732716 O\n0.881219 0.551986 0.232716 O\n0.381220 0.948014 0.267284 O\n0.118780 0.448014 0.767284 O\n0.381220 0.551986 0.267284 O\n0.618780 0.051986 0.732716 O\n0.881219 0.948014 0.232716 O\n0.531582 0.750000 0.036315 F\n0.774513 0.250000 0.957535 F\n0.274513 0.250000 0.542465 F\n0.225486 0.750000 0.042465 F\n0.725486 0.750000 0.457535 F\n0.468417 0.250000 0.963685 F\n0.968417 0.250000 0.536315 F\n0.031582 0.750000 0.463685 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"P",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-N-O-P",
"density": 1.9857451894255063,
"density_atomic": 0.10048445727580256,
"volume": 398.0715135895182,
"volume_molar": 5.993106718455828,
"formula_full": "P4 H16 N4 O8 F8",
"formula_reduced": "PH4N(OF)2",
"formula_anonymous": "ABC2D2E4",
"energy_above_hull": 2.6013406315,
"spacegroup": 62
},
{
"id": "jvasp-94768",
"created_at": "2022-09-04T14:35:53.633559Z",
"updated_at": "2022-09-04T14:35:53.633580Z",
"structure_string": "Rb1 Mg6 Al1\n1.0\n6.743757 -0.628020 0.000000\n-3.915788 6.782016 0.000000\n0.000000 0.000000 4.991130\nRb Mg Al\n1 6 1\ndirect\n0.276535 0.888232 0.250000 Rb\n0.722263 0.401485 0.250000 Mg\n0.722372 0.820864 0.250000 Mg\n0.293212 0.205069 0.750000 Mg\n0.293266 0.588136 0.750000 Mg\n0.773779 0.136885 0.750000 Mg\n0.814757 0.657405 0.750000 Mg\n0.103823 0.301925 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Rb",
"density": 1.985555286822194,
"density_atomic": 0.03703677883938211,
"volume": 216.00150581922108,
"volume_molar": 16.259893405191356,
"formula_full": "Rb1 Mg6 Al1",
"formula_reduced": "RbMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-103921",
"created_at": "2022-09-04T14:37:06.423095Z",
"updated_at": "2022-09-04T14:37:06.423120Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n3.979446 0.215298 0.400351\n1.309914 4.259149 0.462015\n-0.529882 0.367828 11.196068\nZn H C O\n1 10 7 4\ndirect\n0.350160 0.863316 0.191464 Zn\n0.116696 0.645939 0.579339 H\n0.085738 0.594874 0.810848 H\n0.617157 0.707712 0.810318 H\n0.666403 0.251498 0.693353 H\n0.135146 0.125764 0.695396 H\n0.137506 0.064554 0.927435 H\n0.676649 0.154313 0.916442 H\n0.136883 0.175475 0.467714 H\n0.661811 0.333939 0.461141 H\n0.646490 0.780318 0.577944 H\n0.923405 0.612315 0.354173 C\n0.901932 0.396486 0.466424 C\n0.887707 0.563210 0.579753 C\n0.890498 0.340461 0.694517 C\n0.866715 0.499940 0.809417 C\n-0.118156 0.264407 0.921601 C\n0.806936 0.411063 0.039177 C\n0.961017 0.258943 0.135522 O\n0.217522 0.536601 0.296266 O\n0.655171 0.865817 0.324400 O\n0.566659 0.691014 0.039000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9854859973152992,
"density_atomic": 0.11766425857715843,
"volume": 186.9726649879282,
"volume_molar": 5.118071394680125,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.3671852,
"spacegroup": 1
}
]
}