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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=63",
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"results": [
{
"id": "jvasp-59547",
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"structure_string": "Al8 Re12 B4\n1.0\n6.599181 -0.000000 3.810038\n2.199727 6.221767 3.810038\n-0.000000 -0.000000 7.620077\nAl Re B\n8 12 4\ndirect\n0.710982 0.710983 0.710983 Al\n0.710982 0.710983 0.367054 Al\n0.289018 0.632946 0.289018 Al\n0.367054 0.710983 0.710983 Al\n0.289018 0.289018 0.289018 Al\n0.632946 0.289018 0.289018 Al\n0.289018 0.289018 0.632946 Al\n0.710982 0.367054 0.710983 Al\n0.934007 0.934007 0.315993 Re\n0.315993 0.315993 0.934007 Re\n0.065993 0.684007 0.684007 Re\n0.315993 0.934007 0.934007 Re\n0.684007 0.065993 0.684007 Re\n0.684007 0.684007 0.065993 Re\n0.065993 0.065993 0.684007 Re\n0.934007 0.315993 0.934007 Re\n0.315993 0.934007 0.315993 Re\n0.934007 0.315993 0.315993 Re\n0.684007 0.065993 0.065993 Re\n0.065993 0.684007 0.065993 Re\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n",
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{
"id": "jvasp-36419",
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"structure_string": "Al2 Ru1\n1.0\n3.159781 0.000000 0.000000\n0.000000 3.159781 0.000000\n-1.579891 -1.579891 4.236208\nAl Ru\n2 1\ndirect\n0.659127 0.659127 0.318253 Al\n0.340873 0.340873 0.681747 Al\n0.000000 0.000000 0.000000 Ru\n",
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},
{
"id": "jvasp-7681",
"created_at": "2022-09-04T14:36:31.575605Z",
"updated_at": "2022-09-04T14:36:31.575623Z",
"structure_string": "Al4 Ru2\n1.0\n4.549190 -0.006421 -1.121635\n-2.625504 3.715090 -1.121635\n0.002053 0.003958 5.020418\nAl Ru\n4 2\ndirect\n0.796264 0.203736 0.750001 Al\n0.453736 0.546265 0.750001 Al\n0.203736 0.796265 0.250001 Al\n0.546265 0.453736 0.250001 Al\n0.125001 0.875001 0.750001 Ru\n0.875000 0.125000 0.250001 Ru\n",
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"spacegroup": 70
},
{
"id": "jvasp-40239",
"created_at": "2022-09-04T14:37:50.213258Z",
"updated_at": "2022-09-04T14:37:50.213277Z",
"structure_string": "Al2 Ru1 Pt1\n1.0\n-0.000000 3.030741 3.030741\n3.030741 -0.000000 3.030741\n3.030741 3.030741 0.000000\nAl Ru Pt\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.749999 Ru\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 10.44205373069693,
"density_atomic": 0.07184284515839234,
"volume": 55.67708226450632,
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"formula_full": "Al2 Ru1 Pt1",
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},
{
"id": "jvasp-40420",
"created_at": "2022-09-04T14:37:50.517202Z",
"updated_at": "2022-09-04T14:37:50.517224Z",
"structure_string": "Al2 Ru1 Rh1\n1.0\n0.000000 3.001168 3.001168\n3.001168 -0.000000 3.001168\n3.001168 3.001168 -0.000000\nAl Ru Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Rh\n",
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},
{
"id": "jvasp-30092",
"created_at": "2022-09-04T14:38:04.096451Z",
"updated_at": "2022-09-04T14:38:04.096486Z",
"structure_string": "Al12 S18\n1.0\n6.889837 -0.210934 -1.176951\n-3.553316 5.915123 0.562308\n-2.850383 0.041485 17.506953\nAl S\n12 18\ndirect\n0.715135 0.156597 0.844234 Al\n0.648569 0.539921 0.407667 Al\n0.211502 0.905461 0.649720 Al\n0.269518 0.171028 0.923950 Al\n0.452429 0.763113 0.263667 Al\n0.944052 0.731339 0.262674 Al\n0.230828 0.810696 0.124651 Al\n0.542108 0.996207 0.469154 Al\n0.266537 0.718328 0.953348 Al\n0.554922 0.404448 0.600659 Al\n0.366458 0.271646 0.211272 Al\n0.673994 0.715412 0.836357 Al\n0.660629 0.873433 0.938847 S\n0.120055 0.395577 0.872209 S\n0.835547 0.873231 0.337493 S\n0.841032 0.356885 0.460507 S\n0.013411 0.947191 0.148570 S\n0.604034 0.369207 0.881740 S\n0.588582 0.682048 0.502140 S\n0.935481 0.551813 0.673841 S\n0.066023 0.856491 0.845212 S\n0.056301 0.480067 0.046701 S\n0.291553 0.383427 0.306523 S\n0.582582 0.930525 0.736462 S\n0.438371 0.052483 0.036741 S\n0.334852 0.039896 0.533417 S\n0.333755 0.903737 0.335982 S\n0.738423 0.359338 0.230241 S\n0.290485 0.256658 0.671657 S\n0.392845 0.503814 0.098486 S\n",
"nsites": 30,
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"elements": [
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"volume": 680.8677512102626,
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"formula_full": "Al12 S18",
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"spacegroup": 1
},
{
"id": "jvasp-101746",
"created_at": "2022-09-04T14:36:47.847255Z",
"updated_at": "2022-09-04T14:36:47.847277Z",
"structure_string": "Al4 S6\n1.0\n5.750717 -0.019490 2.942021\n2.164748 5.327757 2.942021\n-0.018173 -0.012187 7.045057\nAl S\n4 6\ndirect\n0.181227 0.987536 0.496897 Al\n0.810446 0.673300 0.509679 Al\n0.987537 0.181226 0.996897 Al\n0.673300 0.810445 0.009678 Al\n0.297571 0.127774 0.113177 S\n0.964586 0.793586 0.124331 S\n0.627380 0.453573 0.130871 S\n0.127775 0.297571 0.613177 S\n0.793586 0.964586 0.624331 S\n0.453573 0.627380 0.630872 S\n",
"nsites": 10,
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"elements": [
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"density": 2.3027525277574528,
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"volume": 216.56113746531238,
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"formula_full": "Al4 S6",
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{
"id": "jvasp-7066",
"created_at": "2022-09-04T14:36:10.416326Z",
"updated_at": "2022-09-04T14:36:10.416348Z",
"structure_string": "Al12 S18\n1.0\n3.269204 -5.662427 0.000000\n3.269204 5.662427 0.000000\n0.000000 0.000000 17.236578\nAl S\n12 18\ndirect\n0.987726 0.648029 0.549051 Al\n0.012273 0.351970 0.049051 Al\n0.660303 0.012273 0.215718 Al\n0.698336 0.003290 0.850775 Al\n0.301662 0.996709 0.350775 Al\n0.339696 0.987726 0.715718 Al\n0.003290 0.304954 0.684108 Al\n0.648029 0.660303 0.382384 Al\n0.351970 0.339696 0.882384 Al\n0.695045 0.698336 0.017440 Al\n0.996708 0.695045 0.184107 Al\n0.304954 0.301663 0.517441 Al\n0.351034 0.306603 0.662598 S\n0.712295 0.663847 0.873381 S\n0.693396 0.044430 0.995932 S\n0.341590 0.336716 0.014880 S\n0.336153 0.048448 0.206715 S\n0.955568 0.648965 0.329265 S\n0.004874 0.341591 0.181547 S\n0.648965 0.693396 0.162598 S\n0.287704 0.336152 0.373381 S\n-0.004875 0.658409 0.681547 S\n0.336716 -0.004875 0.848213 S\n0.951551 0.287704 0.540048 S\n0.306602 0.955568 0.495932 S\n0.663846 0.951551 0.706715 S\n0.048448 0.712295 0.040048 S\n0.663284 0.004874 0.348213 S\n0.044431 0.351034 0.829265 S\n0.658409 0.663283 0.514880 S\n",
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"formula_full": "Al12 S18",
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},
{
"id": "jvasp-19266",
"created_at": "2022-09-04T14:38:33.186471Z",
"updated_at": "2022-09-04T14:38:33.186495Z",
"structure_string": "Al4 Sb4 O14\n1.0\n6.085190 0.000000 3.513286\n2.028397 5.737171 3.513286\n0.000000 0.000000 7.026571\nAl Sb O\n4 4 14\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Sb\n0.500000 -0.000000 0.000000 Sb\n-0.000000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.632296 0.117704 0.117704 O\n0.117704 0.117704 0.632296 O\n0.632297 0.632296 0.117704 O\n0.882297 0.367704 0.367704 O\n0.367704 0.882296 0.367704 O\n0.367704 0.367704 0.882297 O\n0.367704 0.882296 0.882297 O\n0.882297 0.367704 0.882297 O\n0.117704 0.632296 0.632297 O\n0.632296 0.117704 0.632297 O\n0.375000 0.375000 0.375000 O\n0.625000 0.625000 0.625001 O\n0.882297 0.882296 0.367704 O\n0.117704 0.632296 0.117704 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Al-O-Sb",
"density": 5.5436425631950925,
"density_atomic": 0.08968241704275032,
"volume": 245.3100699718309,
"volume_molar": 6.714962596435521,
"formula_full": "Al4 Sb4 O14",
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{
"id": "jvasp-10862",
"created_at": "2022-09-04T14:38:34.431721Z",
"updated_at": "2022-09-04T14:38:34.431746Z",
"structure_string": "Al4 Se6\n1.0\n6.763729 -0.000000 0.000000\n-3.381864 5.034619 -3.046510\n0.000000 0.015215 7.418078\nAl Se\n4 6\ndirect\n0.638164 0.083379 0.128073 Al\n0.445216 0.083379 0.628074 Al\n0.267331 0.400401 0.116921 Al\n0.133069 0.400401 0.616921 Al\n0.909398 0.988555 0.988357 Se\n0.079158 0.988554 0.488357 Se\n0.593543 0.351217 0.013356 Se\n0.757675 0.351218 0.513356 Se\n0.241955 0.676250 0.003294 Se\n0.434297 0.676251 0.503294 Se\n",
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"formula_full": "Al4 Se6",
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{
"id": "jvasp-87318",
"created_at": "2022-09-04T14:36:22.166582Z",
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"structure_string": "Al4 Si4 H8 O18\n1.0\n2.580456 4.512532 -0.300760\n-2.580456 4.512532 0.300760\n0.001132 0.000000 14.352681\nAl Si H O\n4 4 8 18\ndirect\n0.662349 0.831011 0.731485 Al\n0.168989 0.337650 0.231485 Al\n0.003032 0.160504 0.730133 Al\n0.839495 0.996968 0.230133 Al\n0.611311 0.585574 0.536941 Si\n0.414426 0.388688 0.036941 Si\n0.927538 0.926907 0.536026 Si\n0.073093 0.072461 0.036026 Si\n0.858731 0.304572 0.358662 H\n0.695427 0.141269 0.858662 H\n0.244700 0.632785 0.359002 H\n0.367215 0.755300 0.859002 H\n0.555224 0.953038 0.360570 H\n0.046962 0.444776 0.860570 H\n0.670692 0.691796 0.154668 H\n0.308204 0.329307 0.654668 H\n0.142968 0.646091 0.298441 O\n0.353909 0.857032 0.798441 O\n0.523845 0.031245 0.294859 O\n0.968754 0.476155 0.794859 O\n0.858922 0.691169 0.154481 O\n0.308830 0.141077 0.654481 O\n0.089876 0.073485 0.149068 O\n0.926514 0.910123 0.649068 O\n0.715312 0.808126 0.488778 O\n0.686964 0.530113 0.649690 O\n0.277747 0.741166 0.000861 O\n0.258833 0.722253 0.500861 O\n0.729164 0.209076 0.988456 O\n0.790923 0.270836 0.488456 O\n0.191874 0.284688 0.988778 O\n0.739180 0.091703 0.794750 O\n0.469886 0.313035 0.149690 O\n0.908297 0.260820 0.294750 O\n",
"nsites": 34,
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],
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"volume_molar": 5.920464189034017,
"formula_full": "Al4 Si4 H8 O18",
"formula_reduced": "Al2Si2H4O9",
"formula_anonymous": "A2B2C4D9",
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"spacegroup": 9
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{
"id": "jvasp-30068",
"created_at": "2022-09-04T14:38:09.004398Z",
"updated_at": "2022-09-04T14:38:09.004425Z",
"structure_string": "Al2 Si2 H4 O9\n1.0\n2.489025 4.509024 -0.810689\n-2.533301 4.508586 0.530071\n-0.032830 -0.013310 7.383734\nAl Si H O\n2 2 4 9\ndirect\n0.797284 0.194587 0.480701 Al\n0.126177 0.536975 0.478276 Al\n0.333419 0.343090 0.089783 Si\n0.675997 0.657704 0.091624 Si\n0.209901 0.920011 0.326398 H\n0.237743 0.108123 0.739534 H\n0.553175 0.456531 0.737920 H\n0.862247 0.769559 0.734072 H\n0.129953 0.206142 0.608602 O\n0.022221 0.919943 0.326182 O\n0.964183 0.570558 0.995244 O\n0.404829 0.303200 0.316037 O\n0.503668 0.495577 0.994971 O\n0.785440 0.541916 0.317525 O\n0.513697 0.435796 0.608262 O\n0.431603 0.024700 0.018856 O\n0.897175 0.818879 0.613104 O\n",
"nsites": 17,
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],
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"volume": 166.99419153259714,
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"formula_full": "Al2 Si2 H4 O9",
"formula_reduced": "Al2Si2H4O9",
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"spacegroup": 1
}
]
}