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"structure_string": "H48 C16 N4 Cl4 O16\n1.0\n5.981456 0.000000 0.000000\n0.000000 11.966656 0.000000\n0.000000 0.000000 12.058403\nH C N Cl O\n48 16 4 4 16\ndirect\n0.263606 0.376881 0.978578 H\n0.263606 0.623119 0.021422 H\n0.736394 0.876881 0.521422 H\n0.736394 0.123119 0.478578 H\n0.269021 0.484538 0.874253 H\n0.269021 0.515462 0.125747 H\n0.730979 0.984538 0.625747 H\n0.730979 0.015462 0.374253 H\n0.479026 0.377043 0.874752 H\n0.479026 0.622957 0.125248 H\n0.520974 0.877043 0.625248 H\n0.520974 0.122957 0.374752 H\n0.552341 0.371929 0.120335 H\n0.552341 0.628071 0.879665 H\n0.447659 0.871929 0.379665 H\n0.447659 0.128071 0.620335 H\n0.765139 0.375172 0.015331 H\n0.536673 0.887629 0.865137 H\n0.234861 0.875172 0.484669 H\n0.234861 0.124828 0.515331 H\n0.763111 0.478797 0.123923 H\n0.763111 0.521203 0.876077 H\n0.765139 0.624828 0.984669 H\n0.236889 0.021203 0.623923 H\n0.244066 0.382813 0.533187 H\n0.244066 0.617187 0.466813 H\n0.244932 0.123754 0.997056 H\n0.244932 0.876246 0.002944 H\n0.755068 0.623754 0.502944 H\n0.755068 0.376246 0.497056 H\n0.254803 0.034206 0.877174 H\n0.254803 0.965794 0.122826 H\n0.745197 0.534206 0.622826 H\n0.745197 0.465794 0.377174 H\n0.462116 0.141279 0.895425 H\n0.462116 0.858721 0.104575 H\n0.537884 0.641279 0.604575 H\n0.537884 0.358721 0.395425 H\n0.755934 0.882813 0.966813 H\n0.755934 0.117187 0.033187 H\n0.463327 0.387629 0.634863 H\n0.463327 0.612371 0.365137 H\n0.740434 0.001951 0.128721 H\n0.740434 0.998049 0.871279 H\n0.259566 0.501951 0.371279 H\n0.259566 0.498049 0.628721 H\n0.536673 0.112371 0.134863 H\n0.236889 0.978797 0.376077 H\n0.355967 0.437346 0.580397 C\n0.355967 0.562654 0.419603 C\n0.644033 0.937346 0.919603 C\n0.644033 0.062654 0.080397 C\n0.646007 0.418972 0.437653 C\n0.646007 0.581028 0.562347 C\n0.629503 0.070763 0.426276 C\n0.629503 0.929237 0.573724 C\n0.339762 0.074156 0.570243 C\n0.339762 0.925844 0.429757 C\n0.370497 0.429237 0.926276 C\n0.660238 0.425844 0.070243 C\n0.353993 0.918972 0.062347 C\n0.353993 0.081028 0.937653 C\n0.370497 0.570763 0.073724 C\n0.660238 0.574156 0.929757 C\n0.498918 0.000000 0.000000 N\n0.501082 0.500000 0.500000 N\n0.515100 0.500000 0.000000 N\n0.484900 0.000000 0.500000 N\n0.923533 0.260910 0.755543 Cl\n0.923533 0.739090 0.244457 Cl\n0.076467 0.760910 0.744457 Cl\n0.076467 0.239090 0.255543 Cl\n0.839438 0.776806 0.136376 O\n0.825082 0.807568 0.332516 O\n0.174918 0.692432 0.832516 O\n0.174918 0.307568 0.167484 O\n0.160562 0.276806 0.363624 O\n0.160562 0.723194 0.636376 O\n0.833519 0.249107 0.252886 O\n0.839438 0.223194 0.863624 O\n0.859450 0.378189 0.738812 O\n0.859450 0.621811 0.261188 O\n0.140550 0.878189 0.761188 O\n0.140550 0.121811 0.238812 O\n0.166481 0.250893 0.752886 O\n0.166481 0.749107 0.247114 O\n0.833519 0.750893 0.747114 O\n0.825082 0.192432 0.667484 O\n",
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],
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"formula_full": "H48 C16 N4 Cl4 O16",
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},
{
"id": "mp-1226580",
"created_at": "2022-09-04T14:46:06.519793Z",
"structure_string": "Ce1 Ga3 Ni1\n1.0\n-2.087022 2.087022 5.169459\n2.087022 -2.087022 5.169459\n2.087022 2.087022 -5.169459\nCe Ga Ni\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.619524 0.619524 0.000000 Ga\n0.380476 0.380476 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ni\n",
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],
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"formula_full": "Ce1 Ga3 Ni1",
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{
"id": "mp-1227444",
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"structure_string": "Bi1 Pb1 Br1 O2\n1.0\n-2.004951 2.004951 6.596580\n2.004951 -2.004951 6.596580\n2.004951 2.004951 -6.596580\nBi Pb Br O\n1 1 1 2\ndirect\n0.340433 0.340433 0.000000 Bi\n0.652174 0.652174 0.000000 Pb\n0.994050 0.994050 0.000000 Br\n0.756671 0.256671 0.500000 O\n0.256671 0.756671 0.500000 O\n",
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{
"id": "mp-1223055",
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"structure_string": "La8 Mg2 Cr6 O24\n1.0\n5.556521 -0.022077 -5.561433\n0.014512 -7.914192 -0.016895\n-5.568796 -0.001696 -5.573572\nLa Mg Cr O\n8 2 6 24\ndirect\n0.011079 0.749240 0.477899 La\n0.511037 0.749236 0.978019 La\n0.988948 0.250769 0.521996 La\n0.488921 0.250781 0.022113 La\n0.514555 0.748994 0.486037 La\n0.014583 0.749004 0.986080 La\n0.485412 0.250981 0.513928 La\n0.985451 0.250996 0.013945 La\n0.250001 0.999999 0.250002 Mg\n0.750004 0.000008 0.749999 Mg\n0.250032 0.500054 0.249990 Cr\n0.749989 0.499970 0.749976 Cr\n0.250007 0.999991 0.750030 Cr\n0.749984 0.499999 0.249984 Cr\n0.250009 0.499986 0.750002 Cr\n0.750007 0.999996 0.249999 Cr\n0.279555 0.746964 0.297665 O\n0.779593 0.746951 0.797633 O\n0.720407 0.253049 0.702369 O\n0.220448 0.253038 0.202335 O\n0.201028 0.751567 0.716412 O\n0.700549 0.751552 0.216180 O\n0.799450 0.248449 0.283823 O\n0.298973 0.248432 0.783586 O\n0.989183 0.958687 0.218729 O\n0.489270 0.958609 0.718706 O\n0.010729 0.041383 0.781292 O\n0.510814 0.041310 0.281275 O\n0.785148 0.543665 0.498872 O\n0.285159 0.543657 0.998891 O\n0.214836 0.456345 0.501109 O\n0.714845 0.456338 0.001129 O\n0.001113 0.456743 0.785615 O\n0.501136 0.456734 0.285596 O\n0.998860 0.543264 0.214404 O\n0.498890 0.543262 0.714383 O\n0.222191 0.041561 0.511866 O\n0.722248 0.041532 0.011983 O\n0.777748 0.958467 0.488017 O\n0.277808 0.958442 0.988132 O\n",
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]
}