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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=10",
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"results": [
{
"id": "jvasp-98071",
"created_at": "2022-09-04T14:35:54.048326Z",
"updated_at": "2022-09-04T14:35:54.048352Z",
"structure_string": "Zn16 Te8 Br16 O24\n1.0\n7.718891 -0.000000 0.000000\n-0.000000 10.596583 0.000000\n0.000000 0.000000 16.069833\nZn Te Br O\n16 8 16 24\ndirect\n0.401822 0.236824 0.977266 Zn\n0.098178 0.736824 0.022734 Zn\n0.160411 0.491920 0.608867 Zn\n0.901822 0.236824 0.522734 Zn\n0.098178 0.763175 0.477266 Zn\n0.339589 0.508080 0.108867 Zn\n0.160411 0.008080 0.891133 Zn\n0.839589 0.991919 0.108867 Zn\n0.901822 0.263175 0.977266 Zn\n0.839589 0.508080 0.391133 Zn\n0.401822 0.263175 0.522734 Zn\n0.598178 0.763175 0.022734 Zn\n0.660411 0.008080 0.608867 Zn\n0.660411 0.491920 0.891133 Zn\n0.339589 0.991919 0.391133 Zn\n0.598178 0.736824 0.477266 Zn\n0.710018 0.027934 0.904784 Te\n0.210018 0.027934 0.595216 Te\n0.789982 0.527934 0.095216 Te\n0.289982 0.972065 0.095216 Te\n0.710018 0.472066 0.595216 Te\n0.289982 0.527934 0.404784 Te\n0.789982 0.972065 0.404784 Te\n0.210018 0.472066 0.904784 Te\n0.650441 0.914245 0.214307 Br\n0.557832 0.790798 0.630867 Br\n0.057832 0.790798 0.869133 Br\n0.849559 0.085755 0.714307 Br\n0.442168 0.209201 0.369133 Br\n0.849559 0.414245 0.785693 Br\n0.349559 0.085755 0.785693 Br\n0.942168 0.209201 0.130867 Br\n0.650441 0.585754 0.285693 Br\n0.057832 0.709201 0.630867 Br\n0.442168 0.290798 0.130867 Br\n0.150441 0.914245 0.285693 Br\n0.557832 0.709201 0.869133 Br\n0.150441 0.585754 0.214307 Br\n0.942168 0.290798 0.369133 Br\n0.349559 0.414245 0.714307 Br\n0.940854 0.411546 0.577739 O\n0.559145 0.588453 0.077739 O\n0.059145 0.911546 0.077739 O\n0.808660 0.057576 0.511476 O\n0.853544 0.690213 0.054286 O\n0.059145 0.588453 0.422261 O\n0.146455 0.309787 0.945714 O\n0.308660 0.057576 0.988523 O\n0.808660 0.442424 0.988523 O\n0.308660 0.442424 0.511476 O\n0.646455 0.309787 0.554286 O\n0.559145 0.911546 0.422261 O\n0.146455 0.190213 0.554286 O\n0.440855 0.411546 0.922261 O\n0.353544 0.809786 0.054286 O\n0.191340 0.557575 0.011477 O\n0.440855 0.088454 0.577739 O\n0.191340 0.942424 0.488523 O\n0.691340 0.557575 0.488523 O\n0.646455 0.190213 0.945714 O\n0.353544 0.690213 0.445714 O\n0.853544 0.809786 0.445714 O\n0.691340 0.942424 0.011477 O\n0.940854 0.088454 0.922261 O\n",
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"Zn",
"Te",
"Br",
"O"
],
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"density": 4.711962016803473,
"density_atomic": 0.04869090627345415,
"volume": 1314.4138176555616,
"volume_molar": 12.368101604391821,
"formula_full": "Zn16 Te8 Br16 O24",
"formula_reduced": "Zn2TeBr2O3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.5524096595833333,
"spacegroup": 56
},
{
"id": "jvasp-32781",
"created_at": "2022-09-04T14:37:51.357010Z",
"updated_at": "2022-09-04T14:37:51.357035Z",
"structure_string": "Al4 B12 H48\n1.0\n5.902817 0.000000 0.000000\n0.000000 5.902740 0.000000\n0.000000 0.000000 17.489135\nAl B H\n4 12 48\ndirect\n0.798701 0.833465 0.138037 Al\n0.298701 0.166535 0.861964 Al\n0.798701 0.666535 0.638037 Al\n0.298701 0.333465 0.361964 Al\n0.400468 0.508632 0.259035 B\n0.400468 0.991368 0.759035 B\n0.464533 0.043651 0.408846 B\n0.964533 0.543651 0.091154 B\n0.464533 0.456349 0.908846 B\n0.964533 0.956349 0.591154 B\n0.006516 0.039287 0.921128 B\n0.506516 0.960713 0.078872 B\n0.006516 0.460713 0.421128 B\n0.900468 0.491368 0.740965 B\n0.506516 0.539287 0.578872 B\n0.900468 0.008632 0.240965 B\n0.016360 0.002974 0.179665 H\n0.491464 0.244435 0.434091 H\n0.491464 0.255565 0.934092 H\n0.516404 0.424530 0.210276 H\n0.365842 0.424560 0.610041 H\n0.489231 0.912388 0.012538 H\n0.692575 0.432210 0.585727 H\n0.989231 0.412388 0.487462 H\n0.489231 0.587612 0.512538 H\n0.830770 0.449310 0.050171 H\n0.016360 0.497026 0.679665 H\n0.991465 0.755565 0.565909 H\n0.512601 0.773446 0.114951 H\n0.726807 0.617330 0.735765 H\n0.512601 0.726554 0.614951 H\n0.880417 0.949721 0.658358 H\n0.380417 0.449721 0.841643 H\n0.226807 0.117330 0.764235 H\n0.880417 0.550279 0.158358 H\n0.192575 0.567790 0.414273 H\n0.152240 0.469517 0.099317 H\n0.833378 0.199488 0.248145 H\n0.016403 0.924530 0.289724 H\n0.865843 0.924560 0.889960 H\n0.333378 0.800512 0.751855 H\n0.012601 0.226554 0.885049 H\n0.152240 0.030483 0.599317 H\n0.192575 0.932210 0.914274 H\n0.516360 0.502974 0.320335 H\n0.833378 0.300512 0.748145 H\n0.692575 0.067790 0.085727 H\n0.726807 0.882670 0.235765 H\n0.012601 0.273446 0.385049 H\n0.226807 0.382670 0.264235 H\n0.330770 0.550690 0.949829 H\n0.333378 0.699488 0.251855 H\n0.365842 0.075440 0.110041 H\n0.989231 0.087612 0.987462 H\n0.652240 0.969517 0.400683 H\n0.516404 0.075470 0.710276 H\n0.380417 0.050279 0.341642 H\n0.016403 0.575470 0.789724 H\n0.865843 0.575440 0.389959 H\n0.330770 0.949310 0.449829 H\n0.830770 0.050690 0.550171 H\n0.652240 0.530483 0.900683 H\n0.516360 0.997026 0.820336 H\n0.991465 0.744435 0.065909 H\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Al",
"B",
"H"
],
"chemical_system": "Al-B-H",
"density": 0.7794593330382318,
"density_atomic": 0.10502644618649001,
"volume": 609.3703283681381,
"volume_molar": 5.7339279568755455,
"formula_full": "Al4 B12 H48",
"formula_reduced": "Al(BH4)3",
"formula_anonymous": "AB3C12",
"energy_above_hull": 3.580274409375,
"spacegroup": 33
},
{
"id": "jvasp-61626",
"created_at": "2022-09-04T14:36:12.370936Z",
"updated_at": "2022-09-04T14:36:12.370954Z",
"structure_string": "K4 Al4 H24 O8 F24\n1.0\n8.653770 -0.000000 0.000000\n-0.000000 8.653770 -0.000000\n-0.000000 -0.000000 8.653770\nK Al H O F\n4 4 24 8 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.300777 0.297523 0.638052 H\n0.199223 0.702477 0.138052 H\n0.861948 0.699223 0.797523 H\n0.361948 0.800777 0.202477 H\n0.202477 0.361948 0.800777 H\n0.138052 0.199223 0.702477 H\n0.797523 0.861948 0.699223 H\n0.800777 0.202477 0.361948 H\n0.297523 0.638052 0.300777 H\n0.638052 0.300777 0.297523 H\n0.699223 0.797523 0.861948 H\n0.702477 0.138052 0.199223 H\n0.702477 0.361948 0.699223 H\n0.797523 0.638052 0.199223 H\n0.202477 0.138052 0.300777 H\n0.861948 0.800777 0.297523 H\n0.361948 0.699223 0.702477 H\n0.638052 0.199223 0.797523 H\n0.138052 0.300777 0.202477 H\n0.800777 0.297523 0.861948 H\n0.699223 0.702477 0.361948 H\n0.199223 0.797523 0.638052 H\n0.300777 0.202477 0.138052 H\n0.297523 0.861948 0.800777 H\n0.303514 0.696486 0.196486 O\n0.196486 0.303514 0.696486 O\n0.696486 0.196486 0.303514 O\n0.803514 0.803514 0.803514 O\n0.696486 0.303514 0.803514 O\n0.803514 0.696486 0.303514 O\n0.303514 0.803514 0.696486 O\n0.196486 0.196486 0.196486 O\n0.802134 0.951927 0.559183 F\n0.197866 0.451927 0.940817 F\n0.048073 0.059183 0.697866 F\n0.548073 0.440817 0.302134 F\n0.451927 0.940817 0.197866 F\n0.951927 0.559183 0.802134 F\n0.059183 0.697866 0.048073 F\n0.440817 0.302134 0.548073 F\n0.940817 0.197866 0.451927 F\n0.559183 0.802134 0.951927 F\n0.302134 0.951927 0.940817 F\n0.059183 0.802134 0.548073 F\n0.802134 0.548073 0.059183 F\n0.197866 0.048073 0.440817 F\n0.951927 0.940817 0.302134 F\n0.451927 0.559183 0.697866 F\n0.548073 0.059183 0.802134 F\n0.048073 0.440817 0.197866 F\n0.940817 0.302134 0.951927 F\n0.559183 0.697866 0.451927 F\n0.440817 0.197866 0.048073 F\n0.302134 0.548073 0.440817 F\n0.697866 0.451927 0.559183 F\n0.697866 0.048073 0.059183 F\n",
"nsites": 64,
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"elements": [
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"Al",
"H",
"O",
"F"
],
"chemical_system": "Al-F-H-K-O",
"density": 2.235537492183602,
"density_atomic": 0.09875609959350472,
"volume": 648.0612363533376,
"volume_molar": 6.097993728780356,
"formula_full": "K4 Al4 H24 O8 F24",
"formula_reduced": "KAlH6(OF3)2",
"formula_anonymous": "ABC2D6E6",
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"spacegroup": 205
},
{
"id": "jvasp-25643",
"created_at": "2022-09-04T14:38:16.528382Z",
"updated_at": "2022-09-04T14:38:16.528418Z",
"structure_string": "K8 Be8 Si12 O36\n1.0\n0.000000 10.262141 0.030137\n6.953847 0.000000 0.000000\n0.000000 -3.539018 -11.686616\nK Be Si O\n8 8 12 36\ndirect\n0.539970 0.372238 0.856770 K\n0.062051 0.109567 0.646782 K\n0.460029 0.872238 0.643230 K\n0.460030 0.627762 0.143230 K\n0.539970 0.127762 0.356770 K\n0.062051 0.390433 0.146782 K\n0.937948 0.890433 0.353218 K\n0.937948 0.609567 0.853218 K\n0.568470 0.908585 0.956321 Be\n0.431530 0.408585 0.543679 Be\n0.062341 0.426949 0.441626 Be\n0.568470 0.591416 0.456321 Be\n0.937659 0.573051 0.558374 Be\n0.937659 0.926949 0.058374 Be\n0.062341 0.073051 0.941626 Be\n0.431530 0.091416 0.043679 Be\n0.243748 0.531621 0.681798 Si\n0.756251 0.468379 0.318202 Si\n0.255300 0.679011 0.372381 Si\n0.756251 0.031621 0.818203 Si\n0.255300 0.820990 0.872381 Si\n0.238244 0.386407 0.920686 Si\n0.243749 0.968379 0.181797 Si\n0.761756 0.613594 0.079314 Si\n0.238244 0.113594 0.420686 Si\n0.761756 0.886407 0.579314 Si\n0.744700 0.320990 0.627619 Si\n0.744700 0.179011 0.127619 Si\n0.100449 0.201560 0.439922 O\n0.239141 0.623603 0.944865 O\n0.600756 0.429509 0.566328 O\n0.899551 0.798440 0.560078 O\n0.877376 0.048056 0.142948 O\n0.399243 0.929509 0.933672 O\n0.600756 0.070492 0.066328 O\n0.380202 0.493997 0.645727 O\n0.257947 0.752264 0.243081 O\n0.760859 0.376398 0.055136 O\n0.102995 0.518949 0.576969 O\n0.742053 0.247736 0.756919 O\n0.897004 0.018949 0.923031 O\n0.100449 0.298440 0.939922 O\n0.122624 0.951944 0.857052 O\n0.399243 0.570492 0.433672 O\n0.760859 0.123603 0.555136 O\n0.379949 0.303342 0.002910 O\n0.380202 0.006003 0.145727 O\n0.620050 0.803342 0.497090 O\n0.379949 0.196658 0.502910 O\n0.763028 0.873769 0.716923 O\n0.899551 0.701560 0.060078 O\n0.877375 0.451944 0.642948 O\n0.236971 0.373769 0.783077 O\n0.620050 0.696659 0.997090 O\n0.236971 0.126231 0.283077 O\n0.102995 0.981052 0.076969 O\n0.122624 0.548056 0.357052 O\n0.239141 0.876398 0.444864 O\n0.257947 0.747737 0.743081 O\n0.619798 0.506003 0.354273 O\n0.897004 0.481052 0.423031 O\n0.742053 0.252264 0.256919 O\n0.619798 0.993997 0.854273 O\n0.763028 0.626231 0.216923 O\n",
"nsites": 64,
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"elements": [
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"volume": 833.2311277020278,
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"formula_full": "K8 Be8 Si12 O36",
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{
"id": "jvasp-96971",
"created_at": "2022-09-04T14:36:30.729740Z",
"updated_at": "2022-09-04T14:36:30.729772Z",
"structure_string": "Ag8 N24 O32\n1.0\n5.737896 -0.000000 0.000000\n-0.000000 9.489182 0.000000\n0.000000 0.000000 14.086351\nAg N O\n8 24 32\ndirect\n0.071263 0.409572 0.636158 Ag\n0.928738 0.909572 0.863842 Ag\n0.571264 0.090428 0.363842 Ag\n0.571264 0.409572 0.863842 Ag\n0.071263 0.090428 0.136158 Ag\n0.428737 0.590427 0.136158 Ag\n0.928738 0.590427 0.363842 Ag\n0.428737 0.909572 0.636158 Ag\n0.149025 0.851146 0.460506 N\n0.087265 0.691899 0.870172 N\n0.573746 0.911146 0.196371 N\n0.649026 0.648853 0.539494 N\n0.926255 0.411146 0.196371 N\n0.087265 0.808101 0.370172 N\n0.573746 0.588853 0.696371 N\n0.412735 0.191899 0.870172 N\n0.850975 0.351146 0.039494 N\n0.587265 0.691899 0.629828 N\n0.912736 0.308101 0.129828 N\n0.149025 0.648853 0.960506 N\n0.850975 0.148854 0.539494 N\n0.587265 0.808101 0.129828 N\n0.426255 0.411146 0.303628 N\n0.426255 0.088853 0.803628 N\n0.073745 0.911146 0.303628 N\n0.350975 0.351146 0.460506 N\n0.073745 0.588853 0.803628 N\n0.926255 0.088853 0.696371 N\n0.412735 0.308101 0.370172 N\n0.912736 0.191899 0.629828 N\n0.350975 0.148854 0.960506 N\n0.649026 0.851146 0.039494 N\n0.746993 0.035016 0.523740 O\n0.583866 0.632670 0.781162 O\n0.540262 0.038336 0.177109 O\n0.916136 0.367330 0.281162 O\n0.611905 0.738407 0.477087 O\n0.388096 0.261593 0.522912 O\n0.611905 0.761593 0.977087 O\n0.416135 0.367330 0.218838 O\n0.459739 0.961664 0.822891 O\n0.753008 0.535015 0.523740 O\n0.959739 0.538336 0.177109 O\n0.753008 0.964984 0.023740 O\n0.416135 0.132670 0.718838 O\n0.888097 0.261593 0.977087 O\n0.246993 0.464984 0.476260 O\n0.246993 0.035016 0.976260 O\n0.540262 0.461664 0.677109 O\n0.111904 0.761593 0.522912 O\n0.959739 0.961664 0.677109 O\n0.459739 0.538336 0.322891 O\n0.746993 0.464984 0.023740 O\n0.040262 0.461664 0.822891 O\n0.040262 0.038336 0.322891 O\n0.253008 0.535015 0.976260 O\n0.888097 0.238407 0.477087 O\n0.083865 0.867330 0.218838 O\n0.388096 0.238407 0.022912 O\n0.111904 0.738407 0.022912 O\n0.916136 0.132670 0.781162 O\n0.583866 0.867330 0.281162 O\n0.083865 0.632670 0.718838 O\n0.253008 0.964984 0.476260 O\n",
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"elements": [
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"chemical_system": "Ag-N-O",
"density": 3.7045996847685876,
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"volume": 766.9727861936841,
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"formula_full": "Ag8 N24 O32",
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"formula_anonymous": "AB3C4",
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"spacegroup": 61
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{
"id": "jvasp-59483",
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"density_atomic": 0.10585012337262295,
"volume": 604.628487533279,
"volume_molar": 5.689309155361424,
"formula_full": "Sr2 Al24 O38",
"formula_reduced": "SrAl12O19",
"formula_anonymous": "AB12C19",
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"spacegroup": 194
},
{
"id": "jvasp-95246",
"created_at": "2022-09-04T14:35:51.436469Z",
"updated_at": "2022-09-04T14:35:51.436493Z",
"structure_string": "H24 C12 N16 O12\n1.0\n3.023778 3.552382 -1.818642\n-3.023778 3.552382 1.818642\n-0.196328 0.000000 24.836727\nH C N O\n24 12 16 12\ndirect\n0.739705 0.093877 0.501373 H\n0.070668 0.545670 0.200446 H\n0.545669 0.070668 0.299554 H\n0.929331 0.454330 0.799554 H\n0.454330 0.929331 0.700446 H\n0.176391 0.689674 0.135464 H\n0.689673 0.176392 0.364536 H\n0.823608 0.310326 0.864536 H\n0.310326 0.823608 0.635464 H\n0.595752 0.163562 0.202233 H\n0.404247 0.836437 0.797767 H\n0.836437 0.404247 0.702233 H\n0.163562 0.595752 0.297767 H\n0.468952 0.651270 0.379807 H\n0.348729 0.531048 0.879807 H\n0.531047 0.348730 0.620193 H\n0.722691 0.014134 0.042336 H\n0.014134 0.722691 0.457664 H\n0.277308 0.985866 0.957664 H\n0.985865 0.277308 0.542336 H\n0.906123 0.260294 0.001373 H\n0.260294 0.906123 0.498627 H\n0.093876 0.739705 0.998627 H\n0.651270 0.468952 0.120193 H\n0.151062 0.666720 0.705449 C\n0.333279 0.848937 0.205449 C\n0.848937 0.333280 0.294551 C\n0.666720 0.151063 0.794551 C\n0.061612 0.546580 0.374335 C\n0.546580 0.061613 0.125665 C\n0.938387 0.453419 0.625665 C\n0.804442 0.376364 0.062532 C\n0.376364 0.804443 0.437468 C\n0.195557 0.623636 0.937468 C\n0.623635 0.195557 0.562532 C\n0.453419 0.938387 0.874335 C\n0.186713 0.680016 0.178134 N\n0.680016 0.186713 0.321867 N\n0.813286 0.319983 0.821867 N\n0.319983 0.813286 0.678134 N\n0.484809 0.043981 0.176651 N\n0.515190 0.956019 0.823349 N\n0.956018 0.515191 0.676651 N\n0.043981 0.484809 0.323349 N\n0.303668 0.673391 0.393853 N\n0.326608 0.696331 0.893853 N\n0.696331 0.326608 0.606147 N\n0.802097 0.205928 0.032122 N\n0.205928 0.802097 0.467878 N\n0.197902 0.794072 0.967879 N\n0.794071 0.197903 0.532122 N\n0.673391 0.303668 0.106147 N\n0.660299 0.155626 0.742926 O\n0.155625 0.660300 0.757074 O\n0.498426 0.882031 0.101162 O\n0.882031 0.498426 0.398838 O\n0.501573 0.117969 0.898838 O\n0.080140 0.398047 0.944815 O\n0.919859 0.601953 0.055185 O\n0.601952 0.919859 0.444815 O\n0.398047 0.080140 0.555185 O\n0.844374 0.339700 0.242926 O\n0.117968 0.501573 0.601162 O\n0.339700 0.844374 0.257074 O\n",
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"elements": [
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],
"chemical_system": "C-H-N-O",
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"formula_full": "H24 C12 N16 O12",
"formula_reduced": "H6C3N4O3",
"formula_anonymous": "A3B3C4D6",
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}
]
}