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{
"id": "jvasp-91342",
"created_at": "2022-09-04T14:36:01.278543Z",
"updated_at": "2022-09-04T14:36:01.278569Z",
"structure_string": "Mo12 S6 Br12\n1.0\n6.658047 0.000000 0.000000\n-3.329023 8.732291 -0.000000\n0.000000 0.000000 12.046394\nMo S Br\n12 6 12\ndirect\n0.008617 0.847586 0.101367 Mo\n0.991384 0.152414 0.601367 Mo\n0.838971 0.847586 0.898632 Mo\n0.991384 0.152414 0.898632 Mo\n0.838971 0.847586 0.601367 Mo\n0.008617 0.847586 0.398633 Mo\n0.161030 0.152414 0.101367 Mo\n0.255660 0.000000 0.938753 Mo\n0.255660 0.000000 0.561246 Mo\n0.744340 0.000000 0.438754 Mo\n0.744340 0.000000 0.061246 Mo\n0.161030 0.152414 0.398633 Mo\n0.383460 0.000000 0.371211 S\n0.383460 0.000000 0.128788 S\n0.616541 0.000000 0.871211 S\n0.616541 0.000000 0.628788 S\n0.910710 0.000000 0.250000 S\n0.089290 0.000000 0.750000 S\n0.407276 0.302589 0.564739 Br\n0.614108 0.638304 0.750000 Br\n0.104686 0.697411 0.935260 Br\n0.975802 0.361696 0.750000 Br\n0.024199 0.638304 0.250000 Br\n0.407276 0.302589 0.935260 Br\n0.592725 0.697411 0.435260 Br\n0.895315 0.302589 0.064739 Br\n0.592725 0.697411 0.064739 Br\n0.104686 0.697411 0.564739 Br\n0.385893 0.361696 0.250000 Br\n0.895315 0.302589 0.435260 Br\n",
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{
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"created_at": "2022-09-04T14:36:01.276277Z",
"updated_at": "2022-09-04T14:36:01.276313Z",
"structure_string": "Cr1 P2 S7\n1.0\n4.283543 4.665783 0.033660\n-4.283543 4.665783 -0.033660\n-0.831536 0.000000 6.099696\nCr P S\n1 2 7\ndirect\n0.491862 0.491862 0.000000 Cr\n0.044043 0.655267 0.079681 P\n0.655267 0.044043 0.920320 P\n0.140580 0.506147 0.818895 S\n0.531169 0.807102 0.764251 S\n0.317826 0.633412 0.284859 S\n0.992087 0.992087 0.000000 S\n0.633411 0.317826 0.715142 S\n0.807102 0.531169 0.235749 S\n0.506147 0.140581 0.181105 S\n",
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"density_atomic": 0.04097030194263868,
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{
"id": "jvasp-91330",
"created_at": "2022-09-04T14:36:01.274760Z",
"updated_at": "2022-09-04T14:36:01.274786Z",
"structure_string": "Cr6 B14 Br2 O26\n1.0\n7.457896 -0.000000 4.305819\n2.485966 7.031372 4.305819\n0.000000 0.000000 8.611637\nCr B Br O\n6 14 2 26\ndirect\n0.500001 0.500000 -0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.080223 0.759334 0.080222 B\n0.250001 0.750000 0.750000 B\n0.250001 0.750000 0.250000 B\n0.750001 0.250000 0.750000 B\n0.250000 0.250000 0.750000 B\n0.750001 0.250000 0.250000 B\n0.080222 0.080222 0.080222 B\n0.580223 0.580222 0.259334 B\n0.259334 0.580222 0.580223 B\n0.580223 0.259334 0.580223 B\n0.759334 0.080222 0.080222 B\n0.080222 0.080222 0.759334 B\n0.580223 0.580222 0.580223 B\n0.750001 0.750000 0.250000 B\n0.250000 0.250000 0.250000 Br\n0.750001 0.750000 0.750000 Br\n0.000000 0.000000 0.000000 O\n0.704660 0.935754 0.101796 O\n0.101796 0.257790 0.704659 O\n0.204659 0.601795 0.435755 O\n0.757790 0.204659 0.435755 O\n0.757791 0.601795 0.204659 O\n0.757791 0.435754 0.601796 O\n0.935755 0.704659 0.257790 O\n0.257790 0.704659 0.101796 O\n0.257791 0.935754 0.704659 O\n0.935755 0.101796 0.704659 O\n0.704659 0.101796 0.257790 O\n0.101796 0.704659 0.935755 O\n0.704659 0.257790 0.935755 O\n0.101796 0.935754 0.257790 O\n0.935755 0.257790 0.101796 O\n0.204659 0.435754 0.757790 O\n0.435755 0.204659 0.601796 O\n0.435755 0.757790 0.204659 O\n0.601796 0.204659 0.757790 O\n0.204660 0.757790 0.601796 O\n0.601796 0.435754 0.204659 O\n0.257790 0.101796 0.935755 O\n0.601796 0.757790 0.435755 O\n0.435755 0.601795 0.757790 O\n0.500001 0.500000 0.500000 O\n",
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"formula_full": "Cr6 B14 Br2 O26",
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{
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"created_at": "2022-09-04T14:36:01.271954Z",
"updated_at": "2022-09-04T14:36:01.271982Z",
"structure_string": "Ba1 Mo2 Br1\n1.0\n3.317384 0.000000 0.000000\n0.000000 4.800529 0.000000\n0.000000 0.000000 6.383625\nBa Mo Br\n1 2 1\ndirect\n0.499999 0.500000 0.000000 Ba\n0.000000 0.000000 0.665877 Mo\n0.000000 0.000000 0.334123 Mo\n0.499999 0.500000 0.500000 Br\n",
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"spacegroup": 47
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{
"id": "jvasp-87193",
"created_at": "2022-09-04T14:36:01.269319Z",
"updated_at": "2022-09-04T14:36:01.269346Z",
"structure_string": "Sm4 Fe4 O12\n1.0\n5.327331 -0.000000 0.000000\n0.000000 5.566075 0.000000\n0.000000 0.000000 7.590600\nSm Fe O\n4 4 12\ndirect\n0.514623 0.561811 0.250000 Sm\n0.985378 0.061812 0.250000 Sm\n0.485377 0.438188 0.750000 Sm\n0.014623 0.938188 0.750000 Sm\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.499999 Fe\n0.000000 0.500000 0.499999 Fe\n0.416610 0.981993 0.250000 O\n0.916610 0.518005 0.750000 O\n0.703589 0.295772 0.456087 O\n0.703589 0.295772 0.043914 O\n0.203591 0.204227 0.956086 O\n0.796409 0.795772 0.456087 O\n0.296410 0.704227 0.543913 O\n0.296410 0.704227 0.956086 O\n0.796409 0.795772 0.043914 O\n0.203591 0.204227 0.543913 O\n0.083391 0.481994 0.250000 O\n0.583389 0.018006 0.750000 O\n",
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{
"id": "jvasp-66910",
"created_at": "2022-09-04T14:36:01.266650Z",
"updated_at": "2022-09-04T14:36:01.266671Z",
"structure_string": "Ti1 Be2 Sb1\n1.0\n3.174976 -0.000000 0.000000\n0.000000 3.174976 0.000000\n-0.000000 -0.000000 5.922252\nTi Be Sb\n1 2 1\ndirect\n0.500001 0.500001 0.781058 Ti\n0.000000 0.000000 0.050740 Be\n0.500001 0.500001 0.190698 Be\n0.000000 0.000000 0.477504 Sb\n",
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{
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"structure_string": "Be2 Cu1 Bi1\n1.0\n3.052112 0.000000 -0.000000\n0.000000 3.052112 0.000000\n0.000000 0.000000 6.850014\nBe Cu Bi\n2 1 1\ndirect\n0.000000 0.000000 0.004847 Be\n0.500000 0.500000 0.157734 Be\n0.500000 0.500000 0.843782 Cu\n0.000000 0.000000 0.493636 Bi\n",
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}