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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=18",
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"results": [
{
"id": "jvasp-22885",
"created_at": "2022-09-04T14:37:50.851369Z",
"updated_at": "2022-09-04T14:37:50.851385Z",
"structure_string": "Mg6 Be2 Al16 O32\n1.0\n2.863911 -4.960438 -0.000000\n2.863911 4.960438 0.000000\n-0.000000 -0.000000 18.476029\nMg Be Al O\n6 2 16 32\ndirect\n0.000000 0.000000 0.999908 Mg\n0.000000 0.000000 0.499908 Mg\n0.000000 0.000000 0.799367 Mg\n0.000000 0.000000 0.299367 Mg\n0.333333 0.666667 0.733742 Mg\n0.666667 0.333333 0.233742 Mg\n0.333333 0.666667 0.996655 Be\n0.666667 0.333333 0.496655 Be\n0.333333 0.666667 0.267083 Al\n0.666667 0.333333 0.767083 Al\n0.501541 0.498459 0.393589 Al\n0.498458 0.996917 0.893589 Al\n0.996917 0.498458 0.393589 Al\n0.666667 0.333333 0.049555 Al\n0.333333 0.666667 0.549555 Al\n0.003082 0.501541 0.893589 Al\n0.833176 0.666351 0.639232 Al\n0.333649 0.166824 0.639232 Al\n0.666351 0.833176 0.139232 Al\n0.166824 0.333649 0.139232 Al\n0.833176 0.166824 0.639232 Al\n0.498459 0.501541 0.893589 Al\n0.501541 0.003082 0.393589 Al\n0.166824 0.833176 0.139232 Al\n0.323217 0.161608 0.082580 O\n0.838392 0.161608 0.082580 O\n0.161608 0.838392 0.582580 O\n0.676783 0.838392 0.582580 O\n0.838392 0.676783 0.082580 O\n0.000000 0.000000 0.191495 O\n0.519163 0.480836 0.699831 O\n0.480836 0.961673 0.199831 O\n0.961673 0.480836 0.699831 O\n0.480836 0.519163 0.199831 O\n0.038327 0.519164 0.199831 O\n0.519164 0.038327 0.699831 O\n0.161608 0.323217 0.582580 O\n0.000000 0.000000 0.691495 O\n0.666667 0.333333 0.951705 O\n0.814446 0.628892 0.834449 O\n0.185258 0.814742 0.952698 O\n0.814742 0.629483 0.452698 O\n0.370517 0.185258 0.452698 O\n0.629483 0.814742 0.952698 O\n0.185258 0.370517 0.952698 O\n0.814742 0.185258 0.452698 O\n0.333333 0.666667 0.838638 O\n0.666667 0.333333 0.338638 O\n0.371107 0.185554 0.834449 O\n0.185554 0.371107 0.334449 O\n0.333333 0.666667 0.083817 O\n0.628892 0.814446 0.334449 O\n0.185554 0.814446 0.334449 O\n0.814446 0.185554 0.834449 O\n0.333333 0.666667 0.451705 O\n0.666667 0.333333 0.583817 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Mg",
"Be",
"Al",
"O"
],
"chemical_system": "Al-Be-Mg-O",
"density": 3.5034042926138915,
"density_atomic": 0.10667676883829647,
"volume": 524.9502830825924,
"volume_molar": 5.645222315580746,
"formula_full": "Mg6 Be2 Al16 O32",
"formula_reduced": "Mg3BeAl8O16",
"formula_anonymous": "AB3C8D16",
"energy_above_hull": 2.2373650589285714,
"spacegroup": 186
},
{
"id": "jvasp-97811",
"created_at": "2022-09-04T14:38:18.147648Z",
"updated_at": "2022-09-04T14:38:18.147668Z",
"structure_string": "V8 Cd4 P8 O36\n1.0\n6.363770 0.000000 0.000000\n-0.000000 7.273818 0.000000\n0.000000 0.000000 14.408958\nV Cd P O\n8 4 8 36\ndirect\n0.000000 0.500000 0.500000 V\n0.500001 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.250000 0.845899 0.619572 V\n0.250000 0.654101 0.119572 V\n0.749999 0.345899 0.880429 V\n0.500001 0.000000 0.000000 V\n0.749999 0.154101 0.380429 V\n0.250000 0.129999 0.220849 Cd\n0.749999 0.870001 0.779151 Cd\n0.749999 0.629998 0.279151 Cd\n0.250000 0.370001 0.720849 Cd\n0.749999 0.634458 0.067963 P\n0.749999 0.865541 0.567963 P\n0.250000 0.134458 0.432037 P\n0.250000 0.365541 0.932037 P\n0.250000 0.883182 0.807501 P\n0.749999 0.116817 0.192499 P\n0.749999 0.383183 0.692499 P\n0.250000 0.616817 0.307501 P\n0.749999 0.491713 0.992720 O\n0.749999 0.957754 0.264916 O\n0.250000 0.508286 0.007280 O\n0.250000 0.991714 0.507280 O\n0.749999 0.008286 0.492720 O\n0.749999 0.542245 0.764916 O\n0.250000 0.457755 0.235084 O\n0.250000 0.042245 0.735084 O\n0.048649 0.612852 0.369164 O\n0.059414 0.123840 0.365523 O\n0.548648 0.387147 0.630836 O\n0.951350 0.112853 0.130836 O\n0.451351 0.887147 0.869164 O\n0.951350 0.387147 0.630836 O\n0.451351 0.612852 0.369164 O\n0.048649 0.887147 0.869164 O\n0.548648 0.112853 0.130836 O\n0.250000 0.328668 0.478337 O\n0.749999 0.671333 0.521663 O\n0.749999 0.828667 0.021663 O\n0.250000 0.171332 0.978337 O\n0.440586 0.376161 0.865523 O\n0.749999 0.131738 0.946768 O\n0.250000 0.631738 0.553232 O\n0.749999 0.368262 0.446768 O\n0.749999 0.208430 0.754835 O\n0.250000 0.791571 0.245165 O\n0.250000 0.708430 0.745165 O\n0.749999 0.291570 0.254835 O\n0.440586 0.123840 0.365523 O\n0.940585 0.876161 0.634478 O\n0.559415 0.623840 0.134477 O\n0.059414 0.376161 0.865523 O\n0.559415 0.876161 0.634478 O\n0.250000 0.868263 0.053232 O\n0.940585 0.623840 0.134477 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"V",
"Cd",
"P",
"O"
],
"chemical_system": "Cd-O-P-V",
"density": 4.184976178570542,
"density_atomic": 0.08396118246757724,
"volume": 666.9748847525482,
"volume_molar": 7.172529713151112,
"formula_full": "V8 Cd4 P8 O36",
"formula_reduced": "V2CdP2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 2.881858617857143,
"spacegroup": 62
},
{
"id": "jvasp-61815",
"created_at": "2022-09-04T14:36:06.079976Z",
"updated_at": "2022-09-04T14:36:06.080013Z",
"structure_string": "Mg4 Be4 Al16 O32\n1.0\n2.825405 -4.893745 -0.000000\n2.825405 4.893745 0.000000\n0.000000 -0.000000 18.288606\nMg Be Al O\n4 4 16 32\ndirect\n0.000000 0.000000 0.844342 Mg\n0.000000 0.000000 0.344342 Mg\n0.666668 0.333334 0.594595 Mg\n0.333334 0.666668 0.094594 Mg\n0.666668 0.333334 0.781547 Be\n0.333334 0.666668 0.281546 Be\n0.333334 0.666668 0.545644 Be\n0.666668 0.333334 0.045644 Be\n0.501302 0.498700 0.437679 Al\n0.501302 0.002603 0.437679 Al\n0.997399 0.498700 0.437679 Al\n0.498700 0.501302 0.937679 Al\n0.002603 0.501302 0.937679 Al\n0.326780 0.163390 0.186472 Al\n0.836611 0.163390 0.186472 Al\n0.498700 0.997399 0.937679 Al\n0.673222 0.836612 0.686472 Al\n0.163390 0.836611 0.686472 Al\n0.163390 0.326780 0.686472 Al\n0.666668 0.333334 0.312829 Al\n0.333334 0.666668 0.812829 Al\n0.000000 0.000000 0.053499 Al\n0.000000 0.000000 0.553499 Al\n0.836612 0.673222 0.186472 Al\n0.986977 0.493488 0.248297 O\n0.506513 0.013025 0.248297 O\n0.506514 0.493488 0.248297 O\n0.360122 0.180061 0.000207 O\n0.819940 0.639879 0.000207 O\n0.819940 0.180061 0.000207 O\n0.295214 0.147608 0.625354 O\n0.180061 0.360122 0.500208 O\n0.180061 0.819940 0.500208 O\n0.852394 0.704788 0.625354 O\n0.852394 0.147608 0.625354 O\n0.704788 0.852394 0.125354 O\n0.493488 0.506514 0.748297 O\n0.639879 0.819940 0.500208 O\n0.493488 0.986977 0.748297 O\n0.333334 0.666668 0.378789 O\n0.367777 0.183888 0.378599 O\n0.816114 0.183888 0.378599 O\n0.816114 0.632225 0.378599 O\n0.632225 0.816114 0.878599 O\n0.183888 0.816114 0.878599 O\n0.183888 0.367777 0.878599 O\n0.666668 0.333334 0.133366 O\n0.333334 0.666668 0.633366 O\n0.333334 0.666668 0.990580 O\n0.666668 0.333334 0.490580 O\n0.147608 0.295214 0.125354 O\n0.666668 0.333334 0.878789 O\n0.000000 0.000000 0.239983 O\n0.000000 0.000000 0.739983 O\n0.013025 0.506513 0.748297 O\n0.147608 0.852394 0.125354 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Mg",
"Be",
"Al",
"O"
],
"chemical_system": "Al-Be-Mg-O",
"density": 3.5360114716924875,
"density_atomic": 0.11072747142749698,
"volume": 505.7462188745828,
"volume_molar": 5.438705212322332,
"formula_full": "Mg4 Be4 Al16 O32",
"formula_reduced": "MgBeAl4O8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.155944596428572,
"spacegroup": 186
},
{
"id": "jvasp-97982",
"created_at": "2022-09-04T14:36:19.516454Z",
"updated_at": "2022-09-04T14:36:19.516481Z",
"structure_string": "Ba8 Cd8 Sn8 S32\n1.0\n12.296289 0.017513 -3.431725\n-7.041403 10.080559 -3.431725\n-0.006221 -0.011954 12.849590\nBa Cd Sn S\n8 8 8 32\ndirect\n0.998622 0.998622 0.000001 Ba\n0.245033 0.242817 0.495044 Ba\n0.747773 0.749989 0.504957 Ba\n0.992817 0.495033 0.995044 Ba\n0.748622 0.248622 0.500000 Ba\n0.244700 0.744700 0.500000 Ba\n0.494700 0.494700 0.000000 Ba\n0.499989 0.997773 0.004957 Ba\n0.329707 0.978731 0.249516 Cd\n0.830192 0.979215 0.250485 Cd\n0.728731 0.579707 0.749516 Cd\n0.729215 0.080192 0.750485 Cd\n0.261189 0.485809 0.248329 Cd\n0.237481 0.012860 0.751672 Cd\n0.762860 0.487481 0.251672 Cd\n0.235810 0.511189 0.748329 Cd\n0.487056 0.763246 0.250972 Sn\n0.512275 0.236085 0.749029 Sn\n0.016634 0.652398 0.750296 Sn\n0.402398 0.266633 0.250295 Sn\n0.016338 0.152103 0.749705 Sn\n0.513247 0.737056 0.750972 Sn\n0.902103 0.266338 0.249705 Sn\n0.986085 0.762275 0.249030 Sn\n0.294819 0.052565 0.077493 S\n0.967326 0.225072 0.422507 S\n0.802565 0.544819 0.577494 S\n0.975072 0.217326 0.922507 S\n0.465233 0.222713 0.421889 S\n0.302015 0.041786 0.579078 S\n0.800824 0.043344 0.578111 S\n0.972714 0.715233 0.921890 S\n0.793344 0.050824 0.078111 S\n0.476559 0.215065 0.921638 S\n0.293427 0.554922 0.078363 S\n0.965065 0.726559 0.421638 S\n0.304922 0.543427 0.578363 S\n0.180126 0.765979 0.248500 S\n0.517479 0.931626 0.751501 S\n0.515979 0.430125 0.748500 S\n0.681626 0.767479 0.251501 S\n0.472938 0.712709 0.920923 S\n0.212848 0.273071 0.248572 S\n0.023072 0.462848 0.748573 S\n0.714275 0.274499 0.251428 S\n0.047091 0.468394 0.246998 S\n0.221397 0.800093 0.753003 S\n0.218394 0.297091 0.746998 S\n0.550093 0.471396 0.253003 S\n0.028978 0.965184 0.246840 S\n0.718344 0.782138 0.753161 S\n0.715184 0.278977 0.746840 S\n0.532138 0.968344 0.253161 S\n0.462709 0.722937 0.420923 S\n0.024500 0.964276 0.751428 S\n0.791786 0.552015 0.079078 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"Sn",
"S"
],
"chemical_system": "Ba-Cd-S-Sn",
"density": 4.141285213826088,
"density_atomic": 0.035146568498011205,
"volume": 1593.3276673416583,
"volume_molar": 17.134363374167716,
"formula_full": "Ba8 Cd8 Sn8 S32",
"formula_reduced": "BaCdSnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7968096314285713,
"spacegroup": 43
},
{
"id": "jvasp-96968",
"created_at": "2022-09-04T14:36:36.233469Z",
"updated_at": "2022-09-04T14:36:36.233497Z",
"structure_string": "C32 S8 O16\n1.0\n5.912146 0.000000 0.000000\n0.000000 9.373466 0.000000\n0.000000 0.000000 13.792304\nC S O\n32 8 16\ndirect\n0.773944 0.408304 0.437888 C\n0.092848 0.724250 0.301209 C\n0.184998 0.844434 0.464499 C\n0.550213 0.968713 0.021132 C\n0.184998 0.344434 0.035501 C\n0.029342 0.656530 0.205581 C\n0.226056 0.908304 0.562112 C\n0.449788 0.468713 0.978868 C\n0.815002 0.844434 0.964499 C\n0.709985 0.281083 0.736366 C\n0.251645 0.219764 0.334216 C\n0.092848 0.224250 0.198791 C\n0.815002 0.344434 0.535501 C\n0.251645 0.719764 0.165784 C\n0.773944 0.908304 0.062112 C\n0.907152 0.724250 0.801209 C\n0.382899 0.399915 0.073381 C\n0.617101 0.899915 0.926619 C\n0.617101 0.399915 0.573381 C\n0.748356 0.719764 0.665784 C\n0.748356 0.219764 0.834216 C\n0.970658 0.156530 0.794418 C\n0.970658 0.656530 0.705581 C\n0.290015 0.281083 0.236366 C\n0.029342 0.156530 0.294419 C\n0.382899 0.899915 0.426619 C\n0.550213 0.468713 0.478868 C\n0.290015 0.781083 0.263634 C\n0.226056 0.408304 0.937888 C\n0.907152 0.224250 0.698791 C\n0.449788 0.968713 0.521132 C\n0.709985 0.781083 0.763634 C\n0.025760 0.740805 0.914504 S\n0.974240 0.240804 0.085495 S\n0.504145 0.890429 0.811060 S\n0.495856 0.390429 0.188939 S\n0.974240 0.740805 0.414504 S\n0.504145 0.390429 0.688939 S\n0.025760 0.240804 0.585495 S\n0.495856 0.890429 0.311061 S\n0.650208 0.721101 0.588250 O\n0.605864 0.538438 0.947694 O\n0.873866 0.588397 0.172158 O\n0.605864 0.038438 0.552305 O\n0.873489 0.413650 0.360872 O\n0.650208 0.221101 0.911750 O\n0.394137 0.038438 0.052305 O\n0.873866 0.088397 0.327842 O\n0.126135 0.088397 0.827842 O\n0.349793 0.721101 0.088250 O\n0.126135 0.588397 0.672158 O\n0.126512 0.413650 0.860872 O\n0.126512 0.913650 0.639128 O\n0.349793 0.221101 0.411750 O\n0.873489 0.913650 0.139128 O\n0.394137 0.538438 0.447694 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"C",
"S",
"O"
],
"chemical_system": "C-O-S",
"density": 1.9484447075782023,
"density_atomic": 0.07326656777850322,
"volume": 764.332241811806,
"volume_molar": 8.21949347785188,
"formula_full": "C32 S8 O16",
"formula_reduced": "C4SO2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.018405285714287,
"spacegroup": 29
},
{
"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,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 1.8961904348413852,
"density_atomic": 0.10450713344204066,
"volume": 535.8485890444736,
"volume_molar": 5.762420766559311,
"formula_full": "H36 Br4 O16",
"formula_reduced": "H9BrO4",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.822646293214286,
"spacegroup": 1
},
{
"id": "jvasp-12810",
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