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{
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{
"id": "jvasp-17427",
"created_at": "2022-09-04T14:38:32.879540Z",
"updated_at": "2022-09-04T14:38:32.879579Z",
"structure_string": "Al2 Pd1\n1.0\n3.643069 0.000000 2.103326\n1.214357 3.434718 2.103326\n-0.000000 -0.000000 4.206654\nAl Pd\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750001 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Al4 Pb2 Se8\n1.0\n6.284386 -0.110308 0.000000\n-3.068368 5.485508 0.000000\n0.000000 0.000000 10.937202\nAl Pb Se\n4 2 8\ndirect\n0.238163 0.759139 0.000000 Al\n0.240862 0.761837 0.500000 Al\n0.759139 0.238163 0.500000 Al\n0.761837 0.240861 0.000000 Al\n0.500000 0.500000 0.250000 Pb\n0.500000 0.500000 0.750000 Pb\n-0.000000 0.500000 0.169121 Se\n0.183974 0.346952 0.500000 Se\n0.500000 -0.000000 0.330879 Se\n0.346952 0.183974 0.000000 Se\n0.653049 0.816026 0.000000 Se\n0.500000 -0.000000 0.669121 Se\n0.816026 0.653048 0.500000 Se\n-0.000000 0.500000 0.830879 Se\n",
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{
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"structure_string": "Al4 Pb2 O8\n1.0\n5.141453 -0.000000 0.000000\n-2.570726 4.637295 -0.000000\n0.000000 -0.000000 8.529847\nAl Pb O\n4 2 8\ndirect\n0.640298 0.344531 0.445820 Al\n0.295768 0.655470 0.554180 Al\n0.640298 0.344531 0.054180 Al\n0.295768 0.655470 0.945820 Al\n0.028029 0.054208 0.250000 Pb\n0.973820 0.945793 0.750000 Pb\n0.538403 0.375574 0.250000 O\n0.162829 0.624427 0.750000 O\n0.354261 0.000000 0.500000 O\n0.354261 0.000000 0.000000 O\n0.000796 0.378463 0.445414 O\n0.622333 0.621538 0.554586 O\n0.622333 0.621538 0.945414 O\n0.000796 0.378463 0.054586 O\n",
"nsites": 14,
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"volume": 203.37231659814026,
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},
{
"id": "jvasp-91233",
"created_at": "2022-09-04T14:35:57.541754Z",
"updated_at": "2022-09-04T14:35:57.541780Z",
"structure_string": "Al8 Pb12 F48\n1.0\n9.513828 0.000000 -0.092295\n0.000000 9.616656 0.000000\n0.006872 0.000000 10.076075\nAl Pb F\n8 12 48\ndirect\n0.688557 0.639385 0.418117 Al\n0.311443 0.360615 0.581884 Al\n0.188557 0.860615 0.918117 Al\n0.811443 0.139385 0.081884 Al\n0.317588 0.650512 0.371529 Al\n0.182412 0.150512 0.128471 Al\n0.682412 0.349488 0.628472 Al\n0.817588 0.849488 0.871529 Al\n0.789336 0.003635 0.496232 Pb\n0.984135 0.379562 0.331358 Pb\n0.210664 0.996366 0.503769 Pb\n0.710665 0.503635 0.003769 Pb\n0.015865 0.620439 0.668643 Pb\n0.484135 0.120439 0.831358 Pb\n0.514447 0.281614 0.285582 Pb\n0.515865 0.879562 0.168643 Pb\n0.485553 0.718387 0.714419 Pb\n0.014447 0.218386 0.785582 Pb\n0.289335 0.496365 0.996232 Pb\n0.985554 0.781614 0.214419 Pb\n0.710840 0.174604 0.694462 F\n0.789161 0.674604 0.805540 F\n0.503157 0.704948 0.407230 F\n0.996843 0.204947 0.092771 F\n0.496843 0.295053 0.592771 F\n0.003157 0.795053 0.907230 F\n0.365854 0.482751 0.450645 F\n0.865854 0.017249 0.950645 F\n0.134146 0.982751 0.049356 F\n0.154635 0.982607 0.788290 F\n0.845365 0.017393 0.211711 F\n0.737092 0.773241 0.301237 F\n0.634146 0.517250 0.549356 F\n0.345364 0.482607 0.711711 F\n0.438115 0.965869 0.655479 F\n0.770451 0.784754 0.034925 F\n0.061884 0.465869 0.844522 F\n0.561885 0.034132 0.344522 F\n0.938116 0.534132 0.155479 F\n0.503515 0.360241 0.053078 F\n0.996486 0.860241 0.446923 F\n0.496485 0.639759 0.946923 F\n0.003514 0.139759 0.553078 F\n0.707394 0.764938 0.551587 F\n0.792606 0.264938 0.948414 F\n0.292606 0.235062 0.448413 F\n0.207394 0.735062 0.051587 F\n0.870224 0.582302 0.437618 F\n0.629777 0.082302 0.062383 F\n0.129776 0.417698 0.562383 F\n0.289161 0.825396 0.305539 F\n0.370223 0.917698 0.937618 F\n0.762908 0.273240 0.198764 F\n0.237092 0.726760 0.801237 F\n0.262908 0.226760 0.698764 F\n0.122168 0.084331 0.284453 F\n0.377832 0.584331 0.215548 F\n0.877832 0.915669 0.715548 F\n0.622168 0.415669 0.784453 F\n0.360502 0.096496 0.161562 F\n0.139498 0.596496 0.338439 F\n0.639498 0.903504 0.838439 F\n0.860502 0.403504 0.661562 F\n0.270451 0.715247 0.534925 F\n0.229549 0.215247 0.965076 F\n0.729549 0.284753 0.465076 F\n0.654636 0.517393 0.288290 F\n0.210839 0.325396 0.194461 F\n",
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],
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"density": 6.510055829464261,
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"volume": 921.8784044535635,
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"formula_full": "Al8 Pb12 F48",
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{
"id": "jvasp-121235",
"created_at": "2022-09-04T14:38:55.181819Z",
"updated_at": "2022-09-04T14:38:55.181853Z",
"structure_string": "Al2 P1\n1.0\n3.439871 0.129258 0.914386\n-1.669715 -3.323369 -0.204789\n-0.392618 -4.057159 -4.864772\nAl P\n2 1\ndirect\n0.864050 0.563558 0.820030 Al\n0.588194 0.419044 0.418081 Al\n0.162087 0.904684 0.078092 P\n",
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"spacegroup": 8
},
{
"id": "jvasp-77290",
"created_at": "2022-09-04T14:38:01.910384Z",
"updated_at": "2022-09-04T14:38:01.910399Z",
"structure_string": "Al2 Os1 Ru1\n1.0\n-9.202289 -0.000000 -5.312944\n-5.811063 -1.112589 -0.560832\n-4.479972 2.652306 -2.866350\nAl Os Ru\n2 1 1\ndirect\n0.750138 0.000001 1.000002 Al\n0.249860 1.000000 -0.000000 Al\n0.499999 0.000001 0.000000 Os\n0.000000 0.000000 0.000000 Ru\n",
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},
{
"id": "jvasp-82124",
"created_at": "2022-09-04T14:37:07.338608Z",
"updated_at": "2022-09-04T14:37:07.338636Z",
"structure_string": "Al2 Os1 Ru1\n1.0\n-9.897269 2.286992 -2.275210\n-7.024110 1.415318 0.847389\n-6.152461 3.716091 -0.632867\nAl Os Ru\n2 1 1\ndirect\n0.748074 0.001599 0.001657 Al\n0.251926 -0.001599 -0.001658 Al\n0.500000 0.000000 -0.000000 Os\n0.000000 0.000000 0.000000 Ru\n",
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},
{
"id": "jvasp-105114",
"created_at": "2022-09-04T14:36:42.018225Z",
"updated_at": "2022-09-04T14:36:42.018249Z",
"structure_string": "Al2 Os1 Rh1\n1.0\n3.684185 -0.000000 2.127065\n1.228062 3.473483 2.127065\n-0.000000 -0.000000 4.254131\nAl Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750001 0.749999 0.750001 Al\n0.500001 0.500000 0.500001 Os\n0.000000 0.000000 0.000000 Rh\n",
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{
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"created_at": "2022-09-04T14:36:52.166657Z",
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"structure_string": "Al2 Os1 Pd1\n1.0\n-7.159231 -1.956364 -7.495241\n-2.939263 -1.183526 -6.575647\n-3.789672 -3.512554 -5.152498\nAl Os Pd\n2 1 1\ndirect\n0.767004 -0.014118 -0.014083 Al\n0.232996 0.014119 0.014081 Al\n0.500000 0.000000 -0.000001 Os\n0.000000 0.000000 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:36:37.512904Z",
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{
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"structure_string": "Al4 O6\n1.0\n4.849062 -0.000000 -0.000000\n-2.424530 1.399803 4.497827\n2.424530 -4.199410 -0.000000\nAl O\n4 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Al\n0.305630 0.916894 0.305631 Al\n0.694369 0.083107 0.694370 Al\n0.279468 0.775341 0.604090 O\n0.395910 0.224659 0.108217 O\n0.108217 0.224659 0.720532 O\n0.891783 0.775341 0.279469 O\n0.604089 0.775341 0.891784 O\n0.720531 0.224659 0.395911 O\n",
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},
{
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"structure_string": "Al8 O12\n1.0\n0.000000 3.187565 -0.020460\n12.127537 0.000000 0.000000\n0.000000 -1.444322 -5.055851\nAl O\n8 12\ndirect\n0.580900 0.166030 0.158352 Al\n0.819928 0.433218 0.179000 Al\n0.180073 0.933218 0.321000 Al\n0.419102 0.666030 0.341648 Al\n0.580900 0.333970 0.658351 Al\n0.819929 0.066782 0.679000 Al\n0.180074 0.566782 0.820999 Al\n0.419102 0.833970 0.841648 Al\n0.327123 -0.007790 0.690151 O\n0.672879 0.492210 0.809848 O\n0.018803 0.373663 0.506591 O\n0.596545 0.194292 0.505610 O\n0.403457 0.805708 0.494390 O\n0.596545 0.305708 0.005610 O\n0.327123 0.507790 0.190151 O\n0.672879 0.007790 0.309848 O\n0.403457 0.694293 0.994389 O\n0.018802 0.126337 0.006591 O\n0.981199 0.626337 0.493408 O\n0.981200 0.873663 0.993408 O\n",
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"formula_full": "Al8 O12",
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}
]
}