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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=17",
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"results": [
{
"id": "jvasp-98768",
"created_at": "2022-09-04T14:36:21.174567Z",
"updated_at": "2022-09-04T14:36:21.174586Z",
"structure_string": "Sr12 Mg4 Si8 O32\n1.0\n5.484179 0.000000 0.000000\n0.000000 9.470293 0.068233\n0.000000 0.099437 13.945488\nSr Mg Si O\n12 4 8 32\ndirect\n0.694246 0.250236 0.250049 Sr\n0.267839 0.423087 0.912251 Sr\n0.767839 0.576913 0.587749 Sr\n0.194246 0.749764 0.249951 Sr\n0.232161 0.423087 0.412251 Sr\n0.305754 0.749764 0.749951 Sr\n0.732149 0.923144 0.412118 Sr\n0.232149 0.076856 0.087882 Sr\n0.805754 0.250236 0.750049 Sr\n0.767851 0.923144 0.912118 Sr\n0.732161 0.576913 0.087749 Sr\n0.267851 0.076856 0.587882 Sr\n0.749992 0.249973 0.500043 Mg\n0.250008 0.750027 0.499957 Mg\n0.249992 0.750027 0.999957 Mg\n0.750008 0.249973 0.000043 Mg\n0.262479 0.410243 0.634947 Si\n0.762479 0.589757 0.865053 Si\n0.237563 0.089823 0.365115 Si\n0.237521 0.410243 0.134947 Si\n0.737563 0.910177 0.134885 Si\n0.262437 0.089823 0.865115 Si\n0.737522 0.589757 0.365053 Si\n0.762437 0.910177 0.634885 Si\n0.481755 0.676131 0.385381 O\n0.784251 0.066143 0.580632 O\n0.284251 0.933857 0.919368 O\n0.518245 0.323869 0.614619 O\n0.018245 0.676131 0.885381 O\n0.542379 0.673881 0.923552 O\n0.481707 0.823833 0.114603 O\n0.981755 0.323869 0.114619 O\n0.174459 0.077076 0.754950 O\n0.715749 0.066143 0.080632 O\n0.518294 0.176167 0.885397 O\n0.042379 0.326119 0.576449 O\n0.957489 0.826052 0.076281 O\n0.215780 0.566172 0.080622 O\n0.457489 0.173948 0.423719 O\n0.215749 0.933857 0.419368 O\n0.981707 0.176167 0.385397 O\n0.284220 0.566172 0.580622 O\n0.825131 0.576806 0.254859 O\n0.042511 0.173948 0.923719 O\n0.674459 0.922924 0.745050 O\n0.715780 0.433828 0.419378 O\n0.825541 0.922924 0.245050 O\n0.174870 0.423194 0.745141 O\n0.018293 0.823833 0.614603 O\n0.542512 0.826052 0.576281 O\n0.674870 0.576806 0.754859 O\n0.325130 0.423194 0.245141 O\n0.784220 0.433828 0.919378 O\n0.325541 0.077076 0.254950 O\n0.457621 0.326119 0.076448 O\n0.957622 0.673881 0.423551 O\n",
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"elements": [
"Sr",
"Mg",
"Si",
"O"
],
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"density_atomic": 0.07732173413194884,
"volume": 724.2465605393239,
"volume_molar": 7.788419165202984,
"formula_full": "Sr12 Mg4 Si8 O32",
"formula_reduced": "Sr3Mg(SiO4)2",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 15
},
{
"id": "jvasp-98302",
"created_at": "2022-09-04T14:36:00.022458Z",
"updated_at": "2022-09-04T14:36:00.022483Z",
"structure_string": "H36 Br4 O16\n1.0\n6.529724 0.170658 -2.280859\n0.389294 11.303198 0.296321\n0.193202 0.184085 7.206064\nH Br O\n36 4 16\ndirect\n0.330629 0.168428 0.987829 H\n0.867441 0.745390 0.293512 H\n0.919043 0.654894 0.491188 H\n0.339308 0.435044 0.523588 H\n0.187823 0.320517 0.489179 H\n0.656906 0.874935 0.661102 H\n0.807703 0.836677 0.533961 H\n0.618904 0.518957 0.671053 H\n0.572492 0.147199 0.387661 H\n0.605435 0.993820 0.435437 H\n0.367370 0.060093 0.343553 H\n0.854647 0.505942 0.169695 H\n0.004095 0.509889 0.043268 H\n0.141558 0.439080 0.315084 H\n0.988985 0.029005 0.952019 H\n0.905918 0.001777 0.734927 H\n0.127928 0.231313 0.719905 H\n0.110011 0.145232 0.547525 H\n0.470587 0.518314 0.801536 H\n0.347349 0.758105 0.371624 H\n0.347144 0.309538 0.004525 H\n0.702391 0.848883 0.031761 H\n0.861030 0.751017 0.003279 H\n0.943499 0.177890 0.159767 H\n0.783534 0.258111 0.952337 H\n0.051308 0.257992 0.038141 H\n0.031039 0.667360 0.837052 H\n0.161854 0.753665 0.983699 H\n0.578837 0.169307 0.818224 H\n0.642857 0.263685 0.680384 H\n0.403346 0.862198 0.110713 H\n0.494090 0.730058 0.140562 H\n0.629039 0.331260 0.361172 H\n0.829081 0.251815 0.491598 H\n0.156785 0.742958 0.476534 H\n0.380840 0.658114 0.563243 H\n0.514510 0.486861 0.125614 Br\n0.459728 -0.004096 0.868478 Br\n0.063800 0.008221 0.308997 Br\n0.943871 0.490756 0.702976 Br\n-0.001991 0.519186 0.177199 O\n0.513609 0.066681 0.345679 O\n0.471752 0.530922 0.663454 O\n0.724262 0.902672 0.566971 O\n0.255370 0.383150 0.423123 O\n0.938013 0.735872 0.442440 O\n0.084805 0.228567 0.575253 O\n0.316919 0.739748 0.500054 O\n0.389536 0.782543 0.168296 O\n0.614332 0.253863 0.808135 O\n0.027646 0.746859 0.886290 O\n0.925696 0.257811 0.084510 O\n0.756718 0.765859 0.073419 O\n0.251772 0.245701 0.973871 O\n0.676358 0.259730 0.453346 O\n0.949370 0.066995 0.819315 O\n",
"nsites": 56,
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"elements": [
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],
"chemical_system": "Br-H-O",
"density": 1.8961904348413852,
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"volume": 535.8485890444736,
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"formula_full": "H36 Br4 O16",
"formula_reduced": "H9BrO4",
"formula_anonymous": "AB4C9",
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"spacegroup": 1
},
{
"id": "jvasp-97777",
"created_at": "2022-09-04T14:35:41.721512Z",
"updated_at": "2022-09-04T14:35:41.721539Z",
"structure_string": "Na4 Nd4 Ga16 S32\n1.0\n11.373009 0.022414 -3.159427\n-6.560341 9.290198 -3.159427\n-0.002250 -0.004354 11.846427\nNa Nd Ga S\n4 4 16 32\ndirect\n0.378501 0.621500 0.750000 Na\n0.128501 0.871499 0.250000 Na\n0.621499 0.378501 0.250000 Na\n0.871499 0.128501 0.750000 Na\n0.625000 0.375000 0.750000 Nd\n0.375000 0.625000 0.250000 Nd\n0.875000 0.125000 0.250000 Nd\n0.125000 0.875001 0.750000 Nd\n0.468652 0.968879 0.609908 Ga\n0.531348 0.031121 0.390092 Ga\n0.641257 0.641029 0.609908 Ga\n0.031121 0.531349 0.890092 Ga\n0.358971 0.358744 0.890092 Ga\n0.358744 0.358971 0.390092 Ga\n0.866797 0.861452 0.978139 Ga\n0.883312 0.388658 0.521860 Ga\n0.138549 0.133203 0.521861 Ga\n0.611343 0.116688 0.978140 Ga\n0.133203 0.138549 0.021860 Ga\n0.116688 0.611343 0.478140 Ga\n0.861452 0.866797 0.478139 Ga\n0.388658 0.883312 0.021860 Ga\n0.641029 0.641256 0.109908 Ga\n0.968879 0.468652 0.109908 Ga\n0.149893 0.152295 0.834107 S\n0.318188 0.815786 0.665893 S\n0.091701 0.419225 0.004844 S\n0.586857 0.414381 0.995156 S\n0.908299 0.580776 0.995156 S\n0.847706 0.850108 0.665893 S\n0.184214 0.681813 0.834107 S\n0.345451 0.840303 0.186505 S\n0.653798 0.658945 0.313494 S\n0.414380 0.586857 0.495156 S\n0.580776 0.908299 0.495156 S\n0.413143 0.585620 0.004844 S\n0.078008 0.406370 0.494720 S\n0.911649 0.083287 0.005279 S\n0.593631 0.921992 0.005279 S\n0.916713 0.088351 0.494720 S\n0.921993 0.593631 0.505279 S\n0.088351 0.916713 0.994721 S\n0.406370 0.078008 0.994721 S\n0.083288 0.911649 0.505280 S\n0.850107 0.847706 0.165893 S\n0.681813 0.184214 0.334107 S\n0.152294 0.149893 0.334107 S\n0.815786 0.318187 0.165893 S\n0.658945 0.653798 0.813494 S\n0.840303 0.345451 0.686505 S\n0.346203 0.341055 0.686506 S\n0.419225 0.091701 0.504844 S\n0.341055 0.346202 0.186505 S\n0.159697 0.654550 0.313494 S\n0.585620 0.413143 0.504844 S\n0.654549 0.159697 0.813494 S\n",
"nsites": 56,
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"elements": [
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"Nd",
"Ga",
"S"
],
"chemical_system": "Ga-Na-Nd-S",
"density": 3.7244391569180846,
"density_atomic": 0.04468941016875565,
"volume": 1253.0932896302152,
"volume_molar": 13.475543170651079,
"formula_full": "Na4 Nd4 Ga16 S32",
"formula_reduced": "NaNd(GaS2)4",
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},
{
"id": "jvasp-98034",
"created_at": "2022-09-04T14:35:58.886565Z",
"updated_at": "2022-09-04T14:35:58.886583Z",
"structure_string": "C16 O24 F16\n1.0\n6.280586 0.000000 0.000000\n0.000000 6.818227 0.000000\n0.000000 0.000000 15.832290\nC O F\n16 24 16\ndirect\n0.736516 0.556662 0.604524 C\n0.279249 0.451011 0.266477 C\n0.779249 0.048989 0.733523 C\n0.220752 0.548990 0.766477 C\n0.611816 0.468011 0.334677 C\n0.111815 0.031989 0.665323 C\n0.388185 0.968011 0.165323 C\n0.888185 0.531989 0.834677 C\n0.720752 0.951011 0.233523 C\n0.938895 0.073312 0.970046 C\n0.561106 0.926688 0.470046 C\n0.061105 0.573312 0.529954 C\n0.763485 0.443339 0.104524 C\n0.263485 0.056661 0.895476 C\n0.236516 0.943339 0.395476 C\n0.438895 0.426688 0.029954 C\n0.247205 0.796565 0.355136 O\n0.747205 0.703436 0.644864 O\n0.408194 0.397623 0.332742 O\n0.908194 0.102377 0.667258 O\n0.591807 0.897624 0.167258 O\n0.111452 0.967342 0.944643 O\n0.611453 0.532658 0.055357 O\n0.388548 0.032658 0.444643 O\n0.888548 0.467342 0.555357 O\n0.252795 0.203435 0.855136 O\n0.091807 0.602377 0.832742 O\n0.752796 0.296565 0.144864 O\n0.097022 0.744335 0.537161 O\n0.597022 0.755666 0.462839 O\n0.324595 0.527986 0.201505 O\n0.824595 0.972015 0.798495 O\n0.175406 0.472015 0.701505 O\n0.695957 0.586199 0.290687 O\n0.675406 0.027985 0.298495 O\n0.304043 0.086199 0.209313 O\n0.804044 0.413801 0.790687 O\n0.402978 0.255665 0.037161 O\n0.902979 0.244335 0.962839 O\n0.195957 0.913802 0.709313 O\n0.793486 0.622886 0.899660 F\n0.916295 0.895088 0.211140 F\n0.416294 0.604913 0.788860 F\n0.706514 0.377115 0.399660 F\n0.206514 0.122885 0.600340 F\n0.293486 0.877115 0.100340 F\n0.311683 0.553408 0.989786 F\n0.433487 0.939050 0.899247 F\n0.688318 0.053408 0.510214 F\n0.188318 0.446593 0.489786 F\n0.933487 0.560951 0.100753 F\n0.583706 0.104912 0.711140 F\n0.066514 0.060950 0.399247 F\n0.566514 0.439050 0.600753 F\n0.811683 0.946593 0.010214 F\n0.083706 0.395088 0.288860 F\n",
"nsites": 56,
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"elements": [
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"density_atomic": 0.08259859648218183,
"volume": 677.9776217151622,
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"formula_full": "C16 O24 F16",
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},
{
"id": "jvasp-89396",
"created_at": "2022-09-04T14:36:09.417841Z",
"updated_at": "2022-09-04T14:36:09.417871Z",
"structure_string": "Na4 Cd4 H12 C12 O24\n1.0\n6.389318 -0.000000 0.000000\n0.000000 7.191735 0.000000\n0.000000 0.000000 14.499252\nNa Cd H C O\n4 4 12 12 24\ndirect\n0.750000 0.500000 0.279898 Na\n0.250000 0.500000 0.220102 Na\n0.750000 0.500000 0.779898 Na\n0.250000 0.500000 0.720102 Na\n0.750000 0.000000 0.427894 Cd\n0.250000 0.000000 0.572105 Cd\n0.750000 0.000000 0.927894 Cd\n0.250000 0.000000 0.072106 Cd\n0.693908 0.328096 0.073436 H\n0.193907 0.328096 0.926564 H\n0.306093 0.671904 0.926564 H\n0.806093 0.671904 0.073436 H\n0.500000 0.055852 0.750000 H\n0.693908 0.671904 0.573436 H\n0.193907 0.671904 0.426564 H\n0.500000 0.944149 0.250000 H\n0.306093 0.328096 0.426564 H\n0.000000 0.055852 0.250000 H\n0.000000 0.944149 0.750000 H\n0.806093 0.328096 0.573436 H\n0.859386 0.706650 0.589205 C\n0.140614 0.706650 0.910795 C\n0.140614 0.293350 0.410795 C\n0.359386 0.706650 0.410795 C\n0.000000 0.901145 0.250000 C\n0.359386 0.293350 0.910795 C\n0.500000 0.098856 0.250000 C\n0.640614 0.293350 0.589205 C\n0.500000 0.901145 0.750000 C\n0.859386 0.293350 0.089205 C\n0.000000 0.098856 0.750000 C\n0.640614 0.706650 0.089205 C\n0.103645 0.817696 0.187779 O\n0.546412 0.380608 0.650628 O\n0.103645 0.182305 0.687778 O\n0.396355 0.182305 0.187779 O\n0.061628 0.839894 0.959020 O\n0.953588 0.380608 0.150628 O\n0.546412 0.619393 0.150628 O\n0.896355 0.817696 0.312221 O\n0.938372 0.160107 0.040980 O\n0.561628 0.160107 0.540980 O\n0.953588 0.619393 0.650628 O\n0.896355 0.182305 0.812221 O\n0.561628 0.839894 0.040980 O\n0.603645 0.817696 0.812221 O\n0.438372 0.839894 0.459020 O\n0.938372 0.839894 0.540980 O\n0.046412 0.619393 0.849371 O\n0.061628 0.160107 0.459020 O\n0.603645 0.182305 0.312221 O\n0.438372 0.160107 0.959020 O\n0.453588 0.380608 0.849371 O\n0.046412 0.380608 0.349371 O\n0.396355 0.817696 0.687778 O\n0.453588 0.619393 0.349371 O\n",
"nsites": 56,
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],
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"density_atomic": 0.08405319938634272,
"volume": 666.2447165467338,
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"formula_full": "Na4 Cd4 H12 C12 O24",
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},
{
"id": "jvasp-23623",
"created_at": "2022-09-04T14:37:41.526646Z",
"updated_at": "2022-09-04T14:37:41.526655Z",
"structure_string": "Nd4 Al12 Pb8 O32\n1.0\n9.611412 -0.000000 0.000000\n-0.000000 9.611412 -0.000000\n0.000000 -0.000000 9.611412\nNd Al Pb O\n4 12 8 32\ndirect\n0.750000 0.250000 0.750000 Nd\n0.250000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.250000 Nd\n0.500000 0.000000 0.250000 Al\n0.000000 0.250000 0.500000 Al\n0.000000 0.750000 0.500000 Al\n0.750000 0.500000 0.000000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.250000 0.000000 Al\n0.500000 0.750000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.250000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.633316 0.633316 0.633316 Pb\n0.133316 0.866684 0.133316 Pb\n0.133316 0.133316 0.866684 Pb\n0.866684 0.133316 0.133316 Pb\n0.366684 0.366684 0.633316 Pb\n0.633316 0.366684 0.366684 Pb\n0.366684 0.633316 0.366684 Pb\n0.866684 0.866684 0.866684 Pb\n0.343133 0.013274 0.343133 O\n0.656867 0.986725 0.343133 O\n0.656867 0.343133 0.986725 O\n0.343133 0.343133 0.013274 O\n0.986725 0.343133 0.656867 O\n0.986725 0.656867 0.343133 O\n0.109010 0.109010 0.109010 O\n0.843132 0.486725 0.843132 O\n0.609010 0.390990 0.609010 O\n0.609010 0.609010 0.390990 O\n0.390990 0.609010 0.609010 O\n0.890990 0.890990 0.109010 O\n0.109010 0.890990 0.890990 O\n0.486725 0.843132 0.843132 O\n0.843132 0.843132 0.486725 O\n0.343133 0.656867 0.986725 O\n0.843132 0.513274 0.156867 O\n0.156867 0.843132 0.513274 O\n0.156867 0.513274 0.843132 O\n0.156867 0.486725 0.156867 O\n0.843132 0.156867 0.513274 O\n0.486725 0.156867 0.156867 O\n0.513274 0.843132 0.156867 O\n0.513274 0.156867 0.843132 O\n0.343133 0.986725 0.656867 O\n0.656867 0.013274 0.656867 O\n0.890990 0.109010 0.890990 O\n0.656867 0.656867 0.013274 O\n0.013274 0.343133 0.343133 O\n0.013274 0.656867 0.656867 O\n0.156867 0.156867 0.486725 O\n0.390990 0.390990 0.390990 O\n",
"nsites": 56,
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"elements": [
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],
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"density_atomic": 0.06307052484750399,
"volume": 887.8949419780546,
"volume_molar": 9.548264858364066,
"formula_full": "Nd4 Al12 Pb8 O32",
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"spacegroup": 224
},
{
"id": "jvasp-91466",
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