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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4618",
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"results": [
{
"id": "jvasp-97879",
"created_at": "2022-09-04T14:35:41.327949Z",
"updated_at": "2022-09-04T14:35:41.327979Z",
"structure_string": "Rb2 Na10 Be16 O22\n1.0\n6.457864 0.031670 0.077671\n3.154905 7.962608 4.104760\n-0.020299 0.046367 10.612109\nRb Na Be O\n2 10 16 22\ndirect\n0.751682 0.235332 0.061678 Rb\n0.248318 0.764668 0.938322 Rb\n0.749096 0.945441 0.973555 Na\n0.127773 0.860002 0.627967 Na\n0.741185 0.732834 0.539901 Na\n0.247729 0.553555 0.517846 Na\n0.909685 0.636830 0.857428 Na\n0.258815 0.267167 0.460099 Na\n0.090315 0.363171 0.142572 Na\n0.752270 0.446446 0.482153 Na\n0.872227 0.139999 0.372033 Na\n0.250903 0.054560 0.026445 Na\n0.505613 0.592378 0.746558 Be\n0.276360 0.386975 0.851882 Be\n0.039950 0.656231 0.215630 Be\n0.960050 0.343770 0.784370 Be\n0.093910 0.155204 0.701707 Be\n0.333023 0.718859 0.240433 Be\n0.218060 0.890409 0.355782 Be\n0.666976 0.281141 0.759567 Be\n0.614837 0.785037 0.272424 Be\n0.385163 0.214963 0.727575 Be\n0.781940 0.109591 0.644218 Be\n0.723640 0.613026 0.148118 Be\n0.446824 0.087830 0.275632 Be\n0.553176 0.912171 0.724368 Be\n0.906090 0.844797 0.298293 Be\n0.494387 0.407623 0.253442 Be\n0.516017 0.769336 0.137752 O\n0.564323 0.265636 0.623289 O\n0.711896 0.435693 0.208433 O\n0.694803 0.459509 0.720229 O\n0.305197 0.540491 0.279771 O\n0.930216 0.151887 0.823339 O\n0.785513 0.927336 0.716091 O\n0.068301 0.355392 0.914693 O\n0.288104 0.564308 0.791567 O\n0.931699 0.644609 0.085307 O\n0.638225 0.960853 0.243970 O\n0.530425 0.758686 0.718461 O\n0.877025 0.657368 0.335883 O\n0.122975 0.342633 0.664117 O\n0.361775 0.039148 0.756030 O\n0.018008 0.851303 0.428592 O\n0.469575 0.241315 0.281539 O\n0.069783 0.848113 0.176661 O\n0.483983 0.230665 0.862248 O\n0.435677 0.734364 0.376711 O\n0.214486 0.072665 0.283909 O\n0.981992 0.148698 0.571408 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Be",
"O"
],
"chemical_system": "Be-Na-O-Rb",
"density": 2.741017196633499,
"density_atomic": 0.09200956116164583,
"volume": 543.4217853963909,
"volume_molar": 6.545124967415156,
"formula_full": "Rb2 Na10 Be16 O22",
"formula_reduced": "RbNa5Be8O11",
"formula_anonymous": "AB5C8D11",
"energy_above_hull": 1.777888092,
"spacegroup": 2
},
{
"id": "jvasp-98431",
"created_at": "2022-09-04T14:35:41.150969Z",
"updated_at": "2022-09-04T14:35:41.150983Z",
"structure_string": "Zn2 H24 C4 N12 Cl8\n1.0\n6.849101 -0.168503 -1.610811\n1.248682 12.220507 -0.770913\n-0.018250 0.065668 6.968172\nZn H C N Cl\n2 24 4 12 8\ndirect\n0.828641 0.775511 0.929695 Zn\n0.171359 0.224489 0.070306 Zn\n0.964702 0.188182 0.628798 H\n0.054627 0.118474 0.435736 H\n0.945372 0.881527 0.564264 H\n0.830419 0.042113 0.165629 H\n0.169580 0.957887 0.834371 H\n0.587654 0.038288 0.181653 H\n0.412345 0.961712 0.818347 H\n0.475676 0.124267 0.440319 H\n0.524324 0.875734 0.559682 H\n0.640059 0.180917 0.640112 H\n0.359940 0.819084 0.359888 H\n0.035298 0.811819 0.371202 H\n0.845443 0.335224 0.346016 H\n0.974230 0.485285 0.252289 H\n0.025769 0.514716 0.747711 H\n0.175010 0.392576 0.800009 H\n0.490628 0.611092 0.186217 H\n0.824989 0.607424 0.199991 H\n0.394681 0.496609 0.258752 H\n0.605318 0.503392 0.741248 H\n0.597059 0.340168 0.350286 H\n0.402940 0.659832 0.649714 H\n0.509371 0.388909 0.813784 H\n0.154557 0.664777 0.653985 H\n0.688173 0.480052 0.266968 C\n0.311827 0.519949 0.733033 C\n0.240499 0.882644 0.586595 C\n0.759501 0.117356 0.413405 C\n0.726287 0.057089 0.245507 N\n0.273712 0.942912 0.754493 N\n0.939586 0.147347 0.494950 N\n0.610803 0.150941 0.498005 N\n0.060413 0.852654 0.505051 N\n0.389197 0.849060 0.501995 N\n0.160927 0.473505 0.771855 N\n0.714976 0.379316 0.338135 N\n0.488880 0.466057 0.762765 N\n0.511119 0.533943 0.237236 N\n0.839072 0.526496 0.228146 N\n0.285024 0.620684 0.661865 N\n0.623996 0.781021 0.138941 Cl\n0.768014 0.652656 0.667646 Cl\n0.231985 0.347345 0.332354 Cl\n0.132562 0.719583 0.105820 Cl\n0.867438 0.280417 0.894180 Cl\n0.786249 0.948049 0.804259 Cl\n0.213750 0.051951 0.195742 Cl\n0.376004 0.218980 0.861060 Cl\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Zn",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Zn",
"density": 1.8599684374120609,
"density_atomic": 0.08553564876713345,
"volume": 584.551595979853,
"volume_molar": 7.040503984946651,
"formula_full": "Zn2 H24 C4 N12 Cl8",
"formula_reduced": "ZnH12C2(N3Cl2)2",
"formula_anonymous": "AB2C4D6E12",
"energy_above_hull": 3.6948814468,
"spacegroup": 2
},
{
"id": "jvasp-112005",
"created_at": "2022-09-04T14:38:41.637272Z",
"updated_at": "2022-09-04T14:38:41.637299Z",
"structure_string": "H22 C26 N2\n1.0\n4.868453 -0.119245 1.410238\n2.006207 7.694148 2.216424\n-0.030276 -0.117159 11.596943\nH C N\n22 26 2\ndirect\n0.237018 0.637580 0.559427 H\n0.464704 0.792477 0.052233 H\n0.001595 0.469167 0.979724 H\n0.772346 0.624892 0.386596 H\n0.022104 0.104196 0.393237 H\n0.560801 0.411191 0.355948 H\n0.292851 0.316256 0.276412 H\n0.590649 0.333617 0.053452 H\n0.843515 0.173587 0.125316 H\n0.195438 0.693382 0.005377 H\n0.647319 0.027344 0.062243 H\n0.829829 0.870475 0.380122 H\n0.559860 0.093115 0.477222 H\n0.400476 0.213656 0.891241 H\n0.606891 0.714496 0.888960 H\n0.418243 0.479286 0.874766 H\n0.191370 -0.002490 0.862943 H\n0.886289 0.920657 0.778914 H\n0.182895 0.941072 0.554537 H\n0.435417 0.780652 0.625976 H\n0.775655 0.306599 0.505874 H\n0.061225 0.398910 0.549940 H\n0.825705 0.592556 0.296206 C\n0.011162 0.902343 0.310246 C\n0.705819 0.469715 0.279199 C\n0.345831 0.087265 0.228555 C\n0.008209 0.675916 0.199370 C\n0.357894 0.862661 0.125976 C\n0.126327 0.812608 0.212795 C\n0.465979 0.996388 0.132148 C\n0.066341 0.628053 0.085038 C\n0.953569 0.502494 0.069530 C\n0.118209 0.035220 0.318068 C\n0.770327 0.421162 0.165984 C\n0.663170 0.284113 0.140627 C\n0.439443 0.188451 0.799486 C\n0.954587 0.468311 0.624320 C\n0.651435 0.237516 0.585165 C\n0.058905 0.603892 0.630289 C\n0.724805 0.416868 0.711772 C\n0.362139 0.027374 0.667818 C\n0.608014 0.278527 0.700437 C\n0.937102 0.694573 0.726948 C\n0.318911 0.065156 0.783432 C\n0.603113 0.509574 0.807211 C\n0.706386 0.643892 0.814860 C\n0.254814 0.891061 0.641639 C\n0.529522 0.116770 0.568976 C\n0.038186 0.827418 0.739655 N\n0.446517 0.221629 0.239455 N\n",
"nsites": 50,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.3727700770996043,
"density_atomic": 0.11403839604427166,
"volume": 438.4488184189222,
"volume_molar": 5.280801001148861,
"formula_full": "H22 C26 N2",
"formula_reduced": "H11C13N",
"formula_anonymous": "AB11C13",
"energy_above_hull": 5.71794693,
"spacegroup": 1
},
{
"id": "jvasp-112250",
"created_at": "2022-09-04T14:38:46.719181Z",
"updated_at": "2022-09-04T14:38:46.719201Z",
"structure_string": "H22 C24 O4\n1.0\n7.595475 0.041078 -2.053679\n-2.346439 6.784693 -3.794886\n-0.110579 0.039840 8.420702\nH C O\n22 24 4\ndirect\n0.288529 0.053259 0.597186 H\n0.400111 0.546265 0.768374 H\n0.599889 0.453735 0.231625 H\n0.249243 0.231494 0.448671 H\n0.750757 0.768506 0.551328 H\n0.169490 0.093358 0.076243 H\n0.365544 0.134335 0.014811 H\n0.634456 0.865665 0.985188 H\n0.247169 0.349488 0.985726 H\n0.752831 0.650511 0.014273 H\n0.437549 0.703799 0.200786 H\n0.830510 0.906641 0.923757 H\n0.074168 0.825267 0.809707 H\n0.925833 0.174733 0.190292 H\n0.888582 0.477036 0.601140 H\n0.111418 0.522964 0.398859 H\n0.785203 0.161001 0.395609 H\n0.214797 0.838999 0.604390 H\n0.655046 0.160410 0.536127 H\n0.344954 0.839589 0.463872 H\n0.711471 0.946740 0.402814 H\n0.562451 0.296201 0.799213 H\n0.788417 0.544930 0.051097 C\n0.211583 0.455070 0.948903 C\n0.677788 0.869499 0.872908 C\n0.322212 0.130501 0.127091 C\n0.584515 0.678499 0.680476 C\n0.444350 0.526190 0.650850 C\n0.639721 0.650922 0.527846 C\n0.360279 0.349078 0.472154 C\n0.555650 0.473810 0.349149 C\n0.316882 0.651422 0.068573 C\n0.415485 0.321501 0.319523 C\n0.683118 0.348577 0.931426 C\n0.061135 0.822503 0.336763 C\n0.733773 0.212125 0.977396 C\n0.112989 0.723168 0.850939 C\n0.887011 0.276831 0.149060 C\n0.008672 0.524243 0.731924 C\n0.991328 0.475757 0.268075 C\n0.054150 0.387254 0.779084 C\n0.945850 0.612746 0.220915 C\n0.938865 0.177497 0.663236 C\n0.763128 0.107006 0.488553 C\n0.236872 0.892994 0.511446 C\n0.266228 0.787875 0.022603 C\n0.017199 0.937416 0.286856 O\n0.624910 0.021817 0.845383 O\n0.375090 0.978183 0.154616 O\n0.982802 0.062584 0.713143 O\n",
"nsites": 50,
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"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4307268440604501,
"density_atomic": 0.11505567952975396,
"volume": 434.572201949142,
"volume_molar": 5.23410994104176,
"formula_full": "H22 C24 O4",
"formula_reduced": "H11(C6O)2",
"formula_anonymous": "A2B11C12",
"energy_above_hull": 5.386483879999999,
"spacegroup": 2
},
{
"id": "jvasp-112047",
"created_at": "2022-09-04T14:38:42.089327Z",
"updated_at": "2022-09-04T14:38:42.089356Z",
"structure_string": "Ca2 H24 C16 O8\n1.0\n4.194802 -0.012818 0.104684\n0.368520 7.945648 0.937100\n0.059072 0.097604 12.175074\nCa H C O\n2 24 16 8\ndirect\n0.924373 0.495091 0.840984 Ca\n0.924373 -0.004908 0.840983 Ca\n0.816470 0.349115 0.463225 H\n0.818057 0.136285 0.521200 H\n0.818046 0.636285 0.521198 H\n0.267464 0.181780 0.602611 H\n0.267457 0.681780 0.602612 H\n0.265156 0.895617 0.549311 H\n0.265165 0.395617 0.549310 H\n0.322287 0.301055 0.355760 H\n0.322273 0.801055 0.355759 H\n0.348597 0.087948 0.411348 H\n0.348577 0.587949 0.411348 H\n0.816457 0.849114 0.463222 H\n0.861189 0.769662 0.262148 H\n0.861198 0.269667 0.262147 H\n0.447891 0.836988 0.115430 H\n0.149336 0.689661 0.110256 H\n0.149343 0.189646 0.110259 H\n0.416828 0.487772 0.231345 H\n0.447883 0.336983 0.115432 H\n0.776977 0.015423 0.155904 H\n0.776956 0.515423 0.155904 H\n0.905644 0.563645 0.330062 H\n0.905667 0.063652 0.330061 H\n0.416854 0.987769 0.231349 H\n0.493150 0.198265 0.386061 C\n0.406343 0.206271 0.106277 C\n0.406337 0.706277 0.106275 C\n0.582402 0.083768 0.196514 C\n0.582382 0.583769 0.196512 C\n0.727160 0.157803 0.293243 C\n0.727142 0.657800 0.293243 C\n0.493134 0.698265 0.386062 C\n0.423702 0.287378 0.578782 C\n0.660375 0.743300 0.487920 C\n0.423694 0.787378 0.578781 C\n0.534295 0.174901 0.992748 C\n0.534289 0.674903 0.992748 C\n0.567620 0.322590 0.685758 C\n0.567614 0.822590 0.685757 C\n0.660388 0.243299 0.487920 C\n0.426854 0.930350 0.741913 O\n0.828427 0.745655 0.717938 O\n0.828432 0.245655 0.717939 O\n0.403694 0.570725 0.938606 O\n0.403698 0.070727 0.938605 O\n0.793597 0.744098 0.957268 O\n0.793603 0.244098 0.957270 O\n0.426854 0.430350 0.741914 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
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"density_atomic": 0.12332643343073638,
"volume": 405.42808714306506,
"volume_molar": 4.883090017666168,
"formula_full": "Ca2 H24 C16 O8",
"formula_reduced": "CaH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.4895313768,
"spacegroup": 1
},
{
"id": "jvasp-88413",
"created_at": "2022-09-04T14:36:13.206257Z",
"updated_at": "2022-09-04T14:36:13.206278Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 O30 F1\n1.0\n8.658763 -0.001096 -3.824421\n-5.869706 6.365589 -3.824421\n-0.000481 -0.001096 9.465748\nNa Al Fe Si B O F\n1 6 3 6 3 30 1\ndirect\n0.237256 0.237256 0.237257 Na\n0.894931 0.558935 0.342442 Al\n0.894931 0.342442 0.558935 Al\n0.342442 0.894932 0.558936 Al\n0.558935 0.342442 0.894932 Al\n0.342442 0.558935 0.894932 Al\n0.558935 0.894932 0.342443 Al\n0.562885 0.562885 0.758918 Fe\n0.562885 0.758918 0.562885 Fe\n0.758917 0.562885 0.562885 Fe\n0.998028 0.191321 0.808710 Si\n0.191321 0.998028 0.808710 Si\n0.808709 0.191321 0.998028 Si\n0.998028 0.808710 0.191321 Si\n0.191321 0.808710 0.998029 Si\n0.808709 0.998028 0.191322 Si\n0.562215 0.562215 0.232342 B\n0.562215 0.232341 0.562215 B\n0.232341 0.562215 0.562215 B\n0.764987 0.964067 0.586704 O\n0.642449 0.164008 0.493712 O\n0.164008 0.493712 0.642450 O\n0.493712 0.642449 0.164008 O\n0.493712 0.164008 0.642449 O\n0.164008 0.642449 0.493713 O\n0.642449 0.493712 0.164008 O\n0.361342 0.786159 0.069260 O\n0.786159 0.069259 0.361343 O\n0.069259 0.361342 0.786159 O\n0.069259 0.786159 0.361343 O\n0.786159 0.361342 0.069259 O\n0.361342 0.069259 0.786159 O\n0.586703 0.764987 0.964068 O\n0.391391 0.775783 0.391392 O\n0.998336 0.998337 0.264837 O\n0.998336 0.264836 0.998337 O\n0.264836 0.998337 0.998337 O\n0.174990 0.884951 0.174990 O\n0.884950 0.174990 0.174990 O\n0.174990 0.174990 0.884951 O\n0.391391 0.391391 0.775783 O\n0.964067 0.586704 0.764987 O\n0.775782 0.391391 0.391392 O\n0.554412 0.374087 0.554413 O\n0.374087 0.554413 0.554413 O\n0.554412 0.554413 0.374087 O\n0.586703 0.964067 0.764988 O\n0.764987 0.586704 0.964068 O\n0.964067 0.764987 0.586704 O\n0.774298 0.774298 0.774299 F\n",
"nsites": 50,
"nelements": 7,
"elements": [
"Na",
"Al",
"Fe",
"Si",
"B",
"O",
"F"
],
"chemical_system": "Al-B-F-Fe-Na-O-Si",
"density": 3.350171969767801,
"density_atomic": 0.09585875017674672,
"volume": 521.6007918714647,
"volume_molar": 6.282306778354849,
"formula_full": "Na1 Al6 Fe3 Si6 B3 O30 F1",
"formula_reduced": "NaAl6Fe3Si6B3O30F",
"formula_anonymous": "ABC3D3E6F6G30",
"energy_above_hull": 3.18316373865,
"spacegroup": 160
},
{
"id": "jvasp-98445",
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