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{
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{
"id": "jvasp-97007",
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"structure_string": "Na8 Al8 Si8 O32\n1.0\n9.684661 0.042899 -0.132646\n-4.807843 8.298762 0.286809\n-0.128208 0.253348 9.422414\nNa Al Si O\n8 8 8 32\ndirect\n0.496406 -0.060565 0.470928 Na\n0.465586 0.044958 0.973871 Na\n-0.009976 0.424487 0.965858 Na\n0.007727 0.593209 0.496709 Na\n0.443561 0.465056 0.455692 Na\n-0.008629 -0.013644 0.021997 Na\n0.569090 0.513708 0.983559 Na\n-0.015864 -0.007477 0.485103 Na\n0.756813 0.082387 0.196538 Al\n0.665146 0.315239 0.670678 Al\n0.323899 0.660525 0.158273 Al\n0.238048 0.934248 0.664644 Al\n0.323155 0.231298 0.184820 Al\n0.898833 0.647329 0.179054 Al\n0.133662 0.367984 0.680105 Al\n0.681029 0.764957 0.695876 Al\n0.669417 0.791699 0.242243 Si\n0.871338 0.667481 0.750375 Si\n0.124490 0.304720 0.263856 Si\n0.854234 0.138251 0.744774 Si\n0.329668 0.200842 0.757396 Si\n0.179435 0.850504 0.238693 Si\n0.350654 0.701742 0.822536 Si\n0.655711 0.323506 0.333160 Si\n0.283769 0.316283 0.656312 O\n0.828312 0.489113 0.310148 O\n0.051553 0.300298 0.430964 O\n0.527244 0.335942 0.222869 O\n0.949331 0.695192 0.920928 O\n0.316449 0.798805 0.268999 O\n0.961332 0.141510 0.216188 O\n0.146019 0.458223 0.501502 O\n0.032712 0.806942 0.669604 O\n0.842614 0.545537 0.013404 O\n0.817492 0.076291 0.927089 O\n0.516110 0.694899 0.808137 O\n0.844427 0.493241 0.702616 O\n0.669757 0.163114 0.303610 O\n0.121664 0.869872 0.400622 O\n0.260019 0.028265 0.155592 O\n0.268980 0.003662 0.478076 O\n0.193844 0.526786 0.794609 O\n0.351278 0.839903 0.708582 O\n0.747041 0.154774 0.012751 O\n0.594723 0.317359 0.495892 O\n0.718424 0.759808 0.417670 O\n0.296901 0.304663 0.007506 O\n0.489596 0.640027 0.212398 O\n0.521528 0.295162 0.796395 O\n0.149687 0.469031 0.174143 O\n0.588358 0.735635 0.519193 O\n0.834138 0.969947 0.688637 O\n0.229972 0.160699 0.912564 O\n0.700423 0.153591 0.689919 O\n0.800625 0.761870 0.161317 O\n0.342247 0.751114 0.985001 O\n",
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{
"id": "jvasp-98074",
"created_at": "2022-09-04T14:36:02.376400Z",
"updated_at": "2022-09-04T14:36:02.376422Z",
"structure_string": "Ca8 Bi16 O32\n1.0\n9.398200 -0.065118 -3.872556\n-4.633707 8.860136 -1.833728\n0.049152 0.081279 11.786541\nCa Bi O\n8 16 32\ndirect\n0.341471 0.921425 0.339462 Ca\n0.473273 0.647354 0.418001 Ca\n0.658529 0.078575 0.660537 Ca\n0.418035 0.497987 0.839466 Ca\n0.229366 0.555273 0.081999 Ca\n0.526726 0.352647 0.581999 Ca\n0.770633 0.444727 0.918000 Ca\n0.581965 0.502013 0.160534 Ca\n0.063975 0.157460 0.781745 Bi\n0.862663 0.673988 0.504619 Bi\n0.727860 0.748452 0.765954 Bi\n0.936024 0.842540 0.218254 Bi\n0.375734 0.782239 0.718264 Bi\n0.137336 0.326013 0.495381 Bi\n0.540756 0.852795 0.066615 Bi\n0.272139 0.251549 0.234046 Bi\n0.459244 0.147205 0.933384 Bi\n0.169367 0.858030 0.995369 Bi\n0.830632 0.141970 0.004631 Bi\n0.624265 0.217761 0.281736 Bi\n0.017493 0.538094 0.265929 Bi\n0.982506 0.461906 0.734070 Bi\n0.213818 0.025882 0.566595 Bi\n0.786182 0.974119 0.433404 Bi\n0.120574 0.919647 0.165393 O\n0.857513 0.598847 0.133323 O\n0.311418 0.398636 0.428330 O\n0.419894 0.082436 0.547140 O\n0.329785 0.826243 0.900112 O\n0.919797 0.199575 0.616158 O\n0.583468 0.803689 0.883855 O\n0.580106 0.917565 0.452860 O\n0.535274 0.372735 0.952856 O\n0.080202 0.800425 0.383842 O\n0.688582 0.601365 0.571669 O\n0.630317 0.138072 0.852005 O\n0.073863 0.070341 0.400087 O\n0.379835 0.460102 0.215959 O\n0.464726 0.627265 0.047144 O\n0.244146 0.663880 0.284029 O\n0.534486 0.775796 0.633325 O\n0.465513 0.224205 0.366675 O\n0.754223 0.455162 0.334573 O\n0.142487 0.401153 0.866676 O\n0.286096 0.278337 0.647983 O\n0.755854 0.336120 0.715971 O\n0.620165 0.539898 0.784041 O\n0.029715 0.616895 0.928352 O\n0.369682 0.861928 0.147994 O\n0.970285 0.383106 0.071648 O\n0.713903 0.721664 0.352016 O\n0.416531 0.196311 0.116144 O\n0.670214 0.173758 0.099887 O\n0.245777 0.544838 0.665427 O\n0.879425 0.080353 0.834606 O\n0.926137 0.929659 0.599913 O\n",
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{
"id": "jvasp-20975",
"created_at": "2022-09-04T14:38:30.769999Z",
"updated_at": "2022-09-04T14:38:30.770029Z",
"structure_string": "Ba8 Al16 O32\n1.0\n5.279314 -9.144040 -0.000000\n5.279314 9.144040 -0.000000\n0.000000 -0.000000 8.826106\nBa Al O\n8 16 32\ndirect\n0.502361 0.493039 0.758559 Ba\n0.009322 0.502361 0.258559 Ba\n0.493039 0.990677 0.258559 Ba\n0.506960 0.009322 0.758559 Ba\n0.990677 0.497638 0.758559 Ba\n0.497638 0.506960 0.258559 Ba\n0.000000 0.000000 0.744549 Ba\n0.000000 0.000000 0.244549 Ba\n0.823955 0.154571 0.064561 Al\n0.669383 0.823954 0.564561 Al\n0.154572 0.330617 0.564561 Al\n0.845428 0.669383 0.064561 Al\n0.176045 0.845428 0.564561 Al\n0.825854 0.153088 0.451079 Al\n0.672767 0.825854 0.951080 Al\n0.330617 0.176045 0.064561 Al\n0.846912 0.672767 0.451079 Al\n0.327233 0.174146 0.451079 Al\n0.174146 0.846912 0.951080 Al\n0.666667 0.333333 0.948841 Al\n0.333333 0.666667 0.448841 Al\n0.666667 0.333333 0.545103 Al\n0.333333 0.666667 0.045102 Al\n0.153088 0.327233 0.951080 Al\n0.496971 0.181937 0.488112 O\n0.818063 0.315033 0.488112 O\n0.315033 0.496971 0.988112 O\n0.312828 0.312900 0.549853 O\n-0.000073 0.312828 0.049853 O\n0.312901 0.000072 0.049853 O\n0.176921 0.996369 0.478350 O\n0.180552 0.176921 0.978350 O\n0.003630 0.180552 0.478350 O\n0.823078 0.003630 0.978350 O\n0.996369 0.819447 0.978350 O\n0.819447 0.823078 0.478350 O\n0.503028 0.818063 0.988112 O\n0.687099 -0.000073 0.549853 O\n0.181937 0.684966 0.988112 O\n0.318713 0.212436 0.257796 O\n0.678485 0.179400 0.003552 O\n0.499085 0.678485 0.503553 O\n0.179400 0.500914 0.503553 O\n0.820599 0.499085 0.003552 O\n0.500914 0.321514 0.003552 O\n0.321514 0.820599 0.503553 O\n0.787564 0.106277 0.257796 O\n0.681287 0.787564 0.757796 O\n0.106277 0.318713 0.757796 O\n0.893722 0.681287 0.257796 O\n0.687171 0.687099 0.049853 O\n0.212435 0.893722 0.757796 O\n0.666667 0.333333 0.746925 O\n0.333333 0.666667 0.246925 O\n0.684966 0.503028 0.488112 O\n0.000072 0.687171 0.549853 O\n",
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"formula_full": "Ba8 Al16 O32",
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{
"id": "jvasp-22035",
"created_at": "2022-09-04T14:37:36.072589Z",
"updated_at": "2022-09-04T14:37:36.072614Z",
"structure_string": "Sr8 Ga16 S32\n1.0\n11.598408 0.015575 -3.104224\n-6.741207 9.438190 -3.104224\n-0.020966 -0.040807 12.123452\nSr Ga S\n8 16 32\ndirect\n0.875000 0.124999 0.250000 Sr\n0.873064 0.623064 0.246131 Sr\n0.376935 0.126935 0.253870 Sr\n0.126935 0.376935 0.753869 Sr\n0.124999 0.875000 0.750000 Sr\n0.624999 0.374999 0.750000 Sr\n0.375000 0.625000 0.250000 Sr\n0.623064 0.873064 0.746131 Sr\n0.888141 0.863131 0.998955 Ga\n0.864177 0.389187 0.501045 Ga\n0.136868 0.111858 0.501045 Ga\n0.610812 0.135822 0.998955 Ga\n0.111858 0.136868 0.001045 Ga\n0.135822 0.610812 0.498955 Ga\n0.389187 0.864178 0.001045 Ga\n0.863131 0.888141 0.498956 Ga\n0.360064 0.467926 0.500368 Ga\n0.967558 0.359696 0.999632 Ga\n0.467927 0.360064 0.000368 Ga\n0.359696 0.967559 0.499633 Ga\n0.639935 0.532073 0.499632 Ga\n0.032441 0.640303 0.000368 Ga\n0.532072 0.639935 0.999632 Ga\n0.640303 0.032440 0.500368 Ga\n0.084476 0.583780 0.665881 S\n0.081404 0.082101 0.665881 S\n0.416219 0.915523 0.834119 S\n0.917898 0.918595 0.834119 S\n0.812432 0.154590 0.997839 S\n0.082101 0.081404 0.165881 S\n0.156751 0.314594 0.502161 S\n0.845409 0.187566 0.502161 S\n0.685404 0.843248 0.997839 S\n0.187567 0.845410 0.002161 S\n0.843248 0.685405 0.497839 S\n0.154590 0.812433 0.497839 S\n0.314595 0.156751 0.002161 S\n0.152390 0.341622 0.002171 S\n0.339450 0.650219 0.497829 S\n0.658378 0.847609 0.497829 S\n0.349780 0.660549 0.002171 S\n0.583780 0.084476 0.165881 S\n0.847609 0.658378 0.997829 S\n0.341621 0.152390 0.502171 S\n0.650219 0.339450 0.997829 S\n0.582159 0.082245 0.666502 S\n0.415742 0.415656 0.833497 S\n0.917754 0.417840 0.833498 S\n0.584342 0.584256 0.666503 S\n0.417840 0.917754 0.333498 S\n0.584257 0.584343 0.166503 S\n0.082245 0.582159 0.166503 S\n0.415657 0.415743 0.333498 S\n0.915523 0.416219 0.334119 S\n0.660549 0.349780 0.502171 S\n0.918595 0.917899 0.334120 S\n",
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{
"id": "jvasp-88784",
"created_at": "2022-09-04T14:36:07.474589Z",
"updated_at": "2022-09-04T14:36:07.474614Z",
"structure_string": "Ho4 Al12 Pb8 O32\n1.0\n9.499636 0.000000 -0.000000\n-0.000000 9.499636 0.000000\n0.000000 0.000000 9.499636\nHo Al Pb O\n4 12 8 32\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.750000 0.500000 0.250000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.750000 0.250000 Al\n0.500000 0.750000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.250000 0.000000 0.750000 Al\n0.750000 0.250000 0.000000 Al\n0.250000 0.750000 0.000000 Al\n0.750000 0.000000 0.250000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.250000 0.750000 Al\n0.000000 0.250000 0.750000 Al\n0.384581 0.384581 0.384581 Pb\n0.615419 0.615419 0.615419 Pb\n0.115419 0.384581 0.115419 Pb\n0.384581 0.115419 0.115419 Pb\n0.115419 0.115419 0.384581 Pb\n0.615419 0.884581 0.884581 Pb\n0.884581 0.884581 0.615419 Pb\n0.884581 0.615419 0.884581 Pb\n0.136861 0.136861 0.136861 O\n0.636861 0.863140 0.636861 O\n0.863140 0.636861 0.636861 O\n0.636861 0.636861 0.863140 O\n0.765001 0.409862 0.409862 O\n0.363140 0.136861 0.363140 O\n0.765001 0.090138 0.090138 O\n0.409862 0.409862 0.765001 O\n0.090138 0.409862 0.735000 O\n0.409862 0.765001 0.409862 O\n0.090138 0.735000 0.409862 O\n0.265001 0.909862 0.590138 O\n0.265001 0.590138 0.909862 O\n0.234999 0.909862 0.909862 O\n0.590138 0.909862 0.265001 O\n0.909862 0.234999 0.909862 O\n0.909862 0.265001 0.590138 O\n0.363140 0.363140 0.136861 O\n0.909862 0.590138 0.265001 O\n0.909862 0.909862 0.234999 O\n0.590138 0.590138 0.234999 O\n0.590138 0.234999 0.590138 O\n0.090138 0.765001 0.090138 O\n0.409862 0.735000 0.090138 O\n0.409862 0.090138 0.735000 O\n0.090138 0.090138 0.765001 O\n0.735000 0.090138 0.409862 O\n0.735000 0.409862 0.090138 O\n0.234999 0.590138 0.590138 O\n0.863140 0.863140 0.863140 O\n0.590138 0.265001 0.909862 O\n0.136861 0.363140 0.363140 O\n",
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"formula_full": "Ho4 Al12 Pb8 O32",
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{
"id": "jvasp-88723",
"created_at": "2022-09-04T14:35:41.765045Z",
"updated_at": "2022-09-04T14:35:41.765070Z",
"structure_string": "Al1 Cu1 H28 S2 Cl1 O22\n1.0\n6.275238 -0.004171 -0.513361\n1.696435 13.101463 -0.429325\n-0.003194 -0.002692 6.206551\nAl Cu H S Cl O\n1 1 28 2 1 22\ndirect\n0.500001 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Cu\n0.221342 0.318048 0.371666 H\n0.778658 0.681952 0.628335 H\n0.642192 0.680442 0.391666 H\n0.533704 0.279948 0.910608 H\n0.466296 0.720052 0.089393 H\n0.283755 0.311555 0.951654 H\n0.716246 0.688445 0.048347 H\n0.885827 0.400480 0.991798 H\n0.114173 0.599520 0.008203 H\n0.151624 0.526633 0.216002 H\n0.848376 0.473367 0.783999 H\n0.718503 0.453669 0.362718 H\n0.281497 0.546331 0.637283 H\n0.357808 0.319558 0.608335 H\n0.493361 0.610720 0.647101 H\n0.506639 0.389280 0.352900 H\n0.713103 0.133002 0.349238 H\n0.517860 0.806555 0.582533 H\n0.482140 0.193445 0.417468 H\n0.879855 0.898267 0.534058 H\n0.120145 0.101733 0.465943 H\n0.286897 0.866998 0.650763 H\n0.199336 0.092888 0.726466 H\n0.311091 0.909148 0.171486 H\n0.688910 0.090852 0.828515 H\n0.694944 0.969802 0.877092 H\n0.800665 0.907112 0.273535 H\n0.305057 0.030198 0.122909 H\n0.016256 0.806570 0.933095 S\n0.983744 0.193430 0.066906 S\n-0.000000 0.500000 0.500000 Cl\n0.376408 0.972776 0.215665 O\n0.623592 0.027224 0.784336 O\n0.421522 0.557339 0.714343 O\n0.578478 0.442661 0.285658 O\n0.596447 0.671718 0.129620 O\n0.797875 0.462178 0.927676 O\n0.230356 0.068095 0.575989 O\n0.403553 0.328282 0.870381 O\n0.202126 0.537822 0.072325 O\n0.769645 0.931905 0.424012 O\n0.054924 0.842045 0.716131 O\n0.430896 0.876276 0.601444 O\n0.785376 0.196609 0.920400 O\n0.214624 0.803391 0.079601 O\n0.159628 0.121900 0.977968 O\n0.840373 0.878100 0.022032 O\n0.945076 0.157954 0.283870 O\n0.052058 0.297337 0.090366 O\n0.947942 0.702663 0.909635 O\n0.633980 0.694983 0.552684 O\n0.569105 0.123724 0.398557 O\n0.366020 0.305017 0.447317 O\n",
"nsites": 55,
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"volume": 510.28786017622116,
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"formula_full": "Al1 Cu1 H28 S2 Cl1 O22",
"formula_reduced": "AlCuH28S2ClO22",
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},
{
"id": "jvasp-88347",
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