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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4447",
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"results": [
{
"id": "jvasp-54714",
"created_at": "2022-09-04T14:36:53.274856Z",
"updated_at": "2022-09-04T14:36:53.274885Z",
"structure_string": "H14 Br2 O6\n1.0\n6.246246 0.000000 -0.111750\n-0.099008 3.084081 5.642435\n-0.099008 -3.084081 5.642435\nH Br O\n14 2 6\ndirect\n0.454727 0.025551 0.810390 H\n0.253797 0.293745 0.037570 H\n0.367280 0.510009 0.065967 H\n0.796204 0.185318 0.344101 H\n0.744377 0.049674 0.189855 H\n0.296203 0.844102 0.685318 H\n0.035600 0.744958 0.678421 H\n0.535601 0.178421 0.244958 H\n0.753797 0.537570 0.793746 H\n0.867281 0.565967 0.010010 H\n0.104363 0.311710 0.325126 H\n0.954727 0.310390 0.525551 H\n0.604363 0.825126 0.811710 H\n0.244375 0.689856 0.549675 H\n0.498451 0.453131 0.576672 Br\n-0.001549 0.076672 0.953131 Br\n0.676717 0.080340 0.312653 O\n0.455882 0.855933 0.841216 O\n0.955883 0.341215 0.355932 O\n0.829766 0.652939 0.831767 O\n0.176716 0.812653 0.580340 O\n0.329766 0.331766 0.152938 O\n",
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"formula_full": "H14 Br2 O6",
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{
"id": "jvasp-34798",
"created_at": "2022-09-04T14:37:11.748507Z",
"updated_at": "2022-09-04T14:37:11.748543Z",
"structure_string": "Ca2 P4 H8 O8\n1.0\n5.355968 0.000000 -2.010264\n-0.478221 6.424645 -1.274129\n-0.062377 0.040944 7.973922\nCa P H O\n2 4 8 8\ndirect\n0.169333 0.750001 0.000000 Ca\n0.830668 0.250000 0.000001 Ca\n0.541988 0.776350 0.710625 P\n0.831364 0.723650 0.289375 P\n0.458012 0.223650 0.289375 P\n0.168636 0.276350 0.710625 P\n0.601172 0.571694 0.652441 H\n0.086642 0.359590 0.548814 H\n0.398828 0.428306 0.347559 H\n0.051267 0.071693 0.652441 H\n0.462172 0.859591 0.548814 H\n0.913358 0.640410 0.451187 H\n0.537828 0.140409 0.451186 H\n0.948733 0.928307 0.347560 H\n0.211162 0.104452 0.154887 O\n0.056276 0.395548 0.845113 O\n0.549303 0.732922 0.223305 O\n0.674002 0.232921 0.223305 O\n0.450697 0.267078 0.776696 O\n0.943724 0.604452 0.154888 O\n0.788838 0.895548 0.845113 O\n0.325998 0.767079 0.776695 O\n",
"nsites": 22,
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"elements": [
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"P",
"H",
"O"
],
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"density": 2.061960622380589,
"density_atomic": 0.08032206134831586,
"volume": 273.8973531144477,
"volume_molar": 7.49749279203013,
"formula_full": "Ca2 P4 H8 O8",
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"formula_anonymous": "AB2C4D4",
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{
"id": "jvasp-118098",
"created_at": "2022-09-04T14:38:50.575115Z",
"updated_at": "2022-09-04T14:38:50.575142Z",
"structure_string": "Sr1 N1 Cl1\n1.0\n4.093384 -0.000000 -0.000000\n0.000000 4.093384 0.000000\n0.000000 0.000000 6.588596\nSr N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.681764 Sr\n0.000000 0.000000 0.014201 N\n0.000000 0.000000 0.263084 Cl\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.027174615075751796,
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"spacegroup": 99
},
{
"id": "jvasp-91464",
"created_at": "2022-09-04T14:36:17.181801Z",
"updated_at": "2022-09-04T14:36:17.181829Z",
"structure_string": "S48\n1.0\n10.629922 0.000000 -1.029959\n0.000000 10.728269 0.000000\n0.023315 0.000000 10.868691\nS\n48\ndirect\n0.780320 0.692397 0.722562 S\n0.784318 0.388972 0.035992 S\n0.046612 0.194227 0.173437 S\n0.290790 0.441382 0.053575 S\n0.962758 0.087810 0.545823 S\n0.324317 0.474824 0.409121 S\n0.454129 0.675697 0.624296 S\n0.574456 0.659332 0.978408 S\n0.752233 0.812024 0.339626 S\n0.425543 0.159332 0.021592 S\n0.731340 0.636454 0.261633 S\n0.758697 0.518049 0.641986 S\n0.737266 0.028289 0.117113 S\n0.171651 0.796031 0.659825 S\n0.763486 0.301984 0.865177 S\n0.925621 0.667751 0.010881 S\n0.445792 0.132927 0.835849 S\n0.460559 0.344772 0.063071 S\n0.675682 0.974824 0.590879 S\n0.543208 0.113772 0.555816 S\n0.828348 0.296031 0.340175 S\n0.648438 0.339697 0.381761 S\n0.037241 0.587810 0.454177 S\n0.554207 0.632928 0.164150 S\n0.946694 0.275571 0.501649 S\n0.043966 0.981745 0.947264 S\n0.219679 0.192397 0.277437 S\n0.353708 0.910087 0.254402 S\n0.539440 0.844772 0.936929 S\n0.268660 0.136454 0.738367 S\n0.140153 0.421235 0.767567 S\n0.236513 0.801984 0.134823 S\n0.241302 0.018049 0.358014 S\n0.159278 0.548662 0.322060 S\n0.709209 0.941382 0.946425 S\n0.247766 0.312024 0.660374 S\n0.956034 0.481745 0.052735 S\n0.262733 0.528289 0.882887 S\n0.859846 0.921236 0.232433 S\n0.953387 0.694227 0.826563 S\n0.074379 0.167751 -0.010881 S\n0.840721 0.048662 0.677940 S\n0.053306 0.775571 0.498351 S\n0.456791 0.613772 0.444184 S\n0.646292 0.410087 0.745598 S\n0.351561 0.839697 0.618239 S\n0.545870 0.175697 0.375704 S\n0.215681 0.888972 0.964008 S\n",
"nsites": 48,
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"elements": [
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"chemical_system": "S",
"density": 2.0615522512850317,
"density_atomic": 0.038718097132773105,
"volume": 1239.730347165491,
"volume_molar": 15.553813864738027,
"formula_full": "S48",
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{
"id": "jvasp-29288",
"created_at": "2022-09-04T14:37:54.659071Z",
"updated_at": "2022-09-04T14:37:54.659094Z",
"structure_string": "Cd2 C4 N4\n1.0\n6.422515 -0.000000 -0.000000\n0.000000 6.422515 -0.000000\n-0.000000 -0.000000 6.422515\nCd C N\n2 4 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.199535 0.800465 0.800465 C\n0.800465 0.800465 0.199535 C\n0.199535 0.199535 0.199535 C\n0.800465 0.199535 0.800465 C\n0.695894 0.695894 0.304106 N\n0.304106 0.695894 0.695894 N\n0.304106 0.304106 0.304106 N\n0.695894 0.304106 0.695894 N\n",
"nsites": 10,
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"elements": [
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"density": 2.061514991239832,
"density_atomic": 0.03774718922704837,
"volume": 264.92038757774145,
"volume_molar": 15.953878641869146,
"formula_full": "Cd2 C4 N4",
"formula_reduced": "Cd(CN)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 215
},
{
"id": "jvasp-103983",
"created_at": "2022-09-04T14:36:45.765588Z",
"updated_at": "2022-09-04T14:36:45.765609Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.931350 -0.018885 -0.008412\n-1.072519 4.152205 -0.493188\n0.194821 -0.041143 15.450874\nCd H C O\n1 16 10 4\ndirect\n0.073414 0.167784 0.153281 Cd\n0.257664 0.636482 0.528506 H\n0.158519 0.299796 0.957568 H\n0.621933 0.386999 0.949476 H\n0.152004 0.216138 0.783210 H\n0.614537 0.321891 0.789028 H\n0.202321 0.157385 0.611132 H\n0.661193 0.261719 0.627957 H\n0.309869 0.118726 0.441788 H\n0.765893 0.223398 0.465451 H\n0.146786 0.749837 0.869267 H\n0.610434 0.864275 0.869794 H\n0.166045 0.679123 0.697240 H\n0.627239 0.799814 0.708369 H\n0.383700 0.609801 0.362825 H\n0.831490 0.727259 0.391285 H\n0.714295 0.749015 0.548870 H\n0.449216 0.735634 0.033700 C\n0.395966 0.494595 0.952141 C\n0.381979 0.654737 0.869077 C\n0.384871 0.423634 0.786036 C\n0.400625 0.586052 0.702835 C\n0.541236 0.324710 0.455439 C\n0.485439 0.537835 0.538152 C\n0.607032 0.514224 0.376909 C\n0.707989 0.338010 0.294215 C\n0.435501 0.364805 0.619903 C\n0.234722 0.684618 0.097356 O\n0.619698 0.404772 0.219250 O\n0.907253 0.150269 0.298043 O\n0.703421 0.985768 0.035059 O\n",
"nsites": 31,
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"density": 2.0615140255971283,
"density_atomic": 0.12309791044486539,
"volume": 251.83205700217522,
"volume_molar": 4.892155145636912,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
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{
"id": "jvasp-101965",
"created_at": "2022-09-04T14:36:59.406905Z",
"updated_at": "2022-09-04T14:36:59.406931Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.076932 -0.062235 -0.245048\n-1.131116 4.152269 -0.270901\n-0.220572 -0.026474 15.629449\nCd H C O\n1 18 11 4\ndirect\n0.673604 0.245222 0.146969 Cd\n0.694081 0.901790 0.544742 H\n0.557574 0.042704 0.407184 H\n0.632517 0.862870 0.889798 H\n0.776797 0.832086 0.694337 H\n0.377126 0.780034 0.735292 H\n0.099974 0.699567 0.588233 H\n0.046041 0.334975 0.525236 H\n0.636704 0.540039 0.479941 H\n0.047435 0.937752 0.855712 H\n0.157808 0.491767 0.936269 H\n0.726583 0.375465 0.962123 H\n0.878862 0.380095 0.776225 H\n0.469510 0.307247 0.812691 H\n0.569362 0.264845 0.620796 H\n0.179687 0.213454 0.666598 H\n0.191499 0.364260 0.362569 H\n0.909343 0.593874 0.339660 H\n0.166918 0.975684 0.453123 H\n0.040242 0.816483 0.029635 C\n0.938173 0.581749 0.949865 C\n0.828106 0.744670 0.871999 C\n0.684617 0.500378 0.794044 C\n0.560250 0.648808 0.715845 C\n0.351203 0.853962 0.430071 C\n0.238638 0.531987 0.564062 C\n0.500193 0.707177 0.505575 C\n0.182792 0.611804 0.352237 C\n0.338606 0.691889 0.267685 C\n0.387930 0.395337 0.641456 C\n0.301982 0.057589 0.028706 O\n0.242601 0.473049 0.203546 O\n0.558254 0.960631 0.264265 O\n0.854486 0.772336 0.093284 O\n",
"nsites": 34,
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"elements": [
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"density": 2.060824388255375,
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"volume": 263.2184502265947,
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"formula_full": "Cd1 H18 C11 O4",
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{
"id": "jvasp-46000",
"created_at": "2022-09-04T14:38:08.361845Z",
"updated_at": "2022-09-04T14:38:08.361876Z",
"structure_string": "Li14 Co2 S9\n1.0\n3.471241 -6.012367 -0.000000\n3.471241 6.012367 0.000000\n-0.000000 0.000000 9.723481\nLi Co S\n14 2 9\ndirect\n0.345989 0.017772 0.910677 Li\n0.654011 0.982228 0.089323 Li\n0.324681 0.960259 0.408177 Li\n0.017772 0.671784 0.089323 Li\n0.328216 0.345989 0.089323 Li\n0.960259 0.635578 0.591823 Li\n0.039741 0.364422 0.408177 Li\n0.635578 0.675318 0.408177 Li\n0.982228 0.328216 0.910677 Li\n0.000000 0.000000 0.750131 Li\n0.000000 0.000000 0.249869 Li\n0.675319 0.039740 0.591823 Li\n0.364422 0.324681 0.591823 Li\n0.671783 0.654011 0.910677 Li\n0.666667 0.333333 0.254937 Co\n0.333333 0.666667 0.745063 Co\n0.333333 0.666667 0.982461 S\n0.966959 0.656686 0.337341 S\n0.033041 0.343313 0.662659 S\n0.343313 0.310273 0.337341 S\n0.666667 0.333333 0.017539 S\n0.689727 0.033040 0.337341 S\n0.310272 0.966959 0.662659 S\n0.000000 0.000000 0.000000 S\n0.656686 0.689727 0.662659 S\n",
"nsites": 25,
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],
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"density": 2.060509871181552,
"density_atomic": 0.061596777745423784,
"volume": 405.865386389588,
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"formula_full": "Li14 Co2 S9",
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"spacegroup": 147
},
{
"id": "jvasp-108775",
"created_at": "2022-09-04T14:38:18.876403Z",
"updated_at": "2022-09-04T14:38:18.876418Z",
"structure_string": "K4 Na1 Cl5\n1.0\n4.294989 0.005783 17.468807\n2.120872 3.734818 17.468807\n0.009919 0.005783 17.989054\nK Na Cl\n4 1 5\ndirect\n0.604033 0.604032 0.604033 K\n0.201347 0.201347 0.201347 K\n0.798654 0.798652 0.798654 K\n0.395968 0.395967 0.395968 K\n0.000000 0.000000 0.000000 Na\n0.694561 0.694560 0.694561 Cl\n0.500000 0.499999 0.500000 Cl\n0.097305 0.097305 0.097305 Cl\n0.305439 0.305439 0.305440 Cl\n0.902695 0.902694 0.902695 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.0600947385667294,
"density_atomic": 0.034785507187709834,
"volume": 287.4760441478665,
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"formula_full": "K4 Na1 Cl5",
"formula_reduced": "K4NaCl5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-121186",
"created_at": "2022-09-04T14:38:54.258521Z",
"updated_at": "2022-09-04T14:38:54.258543Z",
"structure_string": "Li1 S2\n1.0\n4.463233 -0.000000 -0.000000\n-2.231617 3.865273 0.000000\n-0.000000 -0.000000 3.321347\nLi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666666 0.000000 S\n0.666666 0.333333 0.000000 S\n",
"nsites": 3,
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"elements": [
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"volume": 57.298596429330125,
"volume_molar": 11.502007101595316,
"formula_full": "Li1 S2",
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"spacegroup": 191
},
{
"id": "jvasp-40812",
"created_at": "2022-09-04T14:38:01.439323Z",
"updated_at": "2022-09-04T14:38:01.439341Z",
"structure_string": "Na1 Mg1 P1\n1.0\n3.870415 0.000000 2.234585\n1.290138 3.649062 2.234585\n0.000000 0.000000 4.469170\nNa Mg P\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
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"elements": [
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],
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"volume": 63.11980541529349,
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},
{
"id": "jvasp-101894",
"created_at": "2022-09-04T14:36:58.738495Z",
"updated_at": "2022-09-04T14:36:58.738519Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n5.103947 -0.064441 -0.752002\n-1.916407 5.985854 -2.207102\n0.030915 -0.153800 8.337135\nCa H C O\n2 8 8 8\ndirect\n0.528868 0.212559 0.716651 Ca\n0.028867 0.712558 0.716651 Ca\n0.741457 0.187990 0.225947 H\n0.241457 0.687989 0.225947 H\n0.545906 0.011683 0.308278 H\n0.045904 0.511683 0.308277 H\n0.816333 0.737160 0.207352 H\n0.316333 0.237160 0.207352 H\n0.011876 0.913469 0.125018 H\n0.511877 0.413469 0.125018 H\n0.307419 0.363238 0.150727 C\n0.807419 0.863238 0.150727 C\n0.250364 0.561910 0.282572 C\n0.750365 0.061910 0.282572 C\n0.591159 0.739416 0.975881 C\n0.466613 0.685730 0.457421 C\n0.966614 0.185732 0.457422 C\n0.091159 0.239416 0.975880 C\n0.895255 0.313219 0.588757 O\n0.205618 0.169125 0.469046 O\n0.705618 0.669125 0.469046 O\n0.352176 0.756065 0.964260 O\n0.852178 0.256065 0.964260 O\n0.662480 0.611886 0.844543 O\n0.162480 0.111886 0.844544 O\n0.395254 0.813220 0.588757 O\n",
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"elements": [
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],
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"volume": 251.87159309537603,
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"formula_full": "Ca2 H8 C8 O8",
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"formula_anonymous": "AB4C4D4",
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"spacegroup": 2
}
]
}