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{
"id": "mp-707926",
"created_at": "2022-09-04T14:42:56.564191Z",
"structure_string": "Re2 H44 C8 S8 N16 Cl16 O6\n1.0\n5.804715 -6.881031 0.000000\n5.804715 6.881031 0.000000\n0.000000 0.000000 17.086162\nRe H C S N Cl O\n2 44 8 8 16 16 6\ndirect\n0.847213 0.152787 0.750000 Re\n0.152787 0.847213 0.250000 Re\n0.369246 0.916500 0.621537 H\n0.916500 0.369246 0.378463 H\n0.369246 0.916500 0.878463 H\n0.916500 0.369246 0.121537 H\n0.630754 0.083500 0.378463 H\n0.083500 0.630754 0.621537 H\n0.630754 0.083500 0.121537 H\n0.083500 0.630754 0.878463 H\n0.382420 0.096383 0.669811 H\n0.096383 0.382420 0.330189 H\n0.382420 0.096383 0.830189 H\n0.096383 0.382420 0.169811 H\n0.617580 0.903617 0.330189 H\n0.903617 0.617580 0.669811 H\n0.617580 0.903617 0.169811 H\n0.903617 0.617580 0.830189 H\n0.311346 0.899264 0.487543 H\n0.899264 0.311346 0.512457 H\n0.311346 0.899264 0.012457 H\n0.899264 0.311346 0.987543 H\n0.688654 0.100736 0.512457 H\n0.100736 0.688654 0.487543 H\n0.688654 0.100736 0.987543 H\n0.100736 0.688654 0.012457 H\n0.284404 0.061287 0.436313 H\n0.061287 0.284404 0.563687 H\n0.284404 0.061287 0.063687 H\n0.061287 0.284404 0.936313 H\n0.715596 0.938713 0.563687 H\n0.938713 0.715596 0.436313 H\n0.715596 0.938713 0.936313 H\n0.938713 0.715596 0.063687 H\n0.466152 0.307061 0.750000 H\n0.307061 0.466152 0.250000 H\n0.533848 0.692939 0.250000 H\n0.692939 0.533848 0.750000 H\n0.291169 0.284512 0.750000 H\n0.284512 0.291169 0.250000 H\n0.708831 0.715488 0.250000 H\n0.715488 0.708831 0.750000 H\n0.405088 0.594912 0.703882 H\n0.594912 0.405088 0.296118 H\n0.405088 0.594912 0.796118 H\n0.594912 0.405088 0.203882 H\n0.339443 0.091905 0.552496 C\n0.091905 0.339443 0.447504 C\n0.339443 0.091905 0.947504 C\n0.091905 0.339443 0.052496 C\n0.660557 0.908095 0.447504 C\n0.908095 0.660557 0.552496 C\n0.660557 0.908095 0.052496 C\n0.908095 0.660557 0.947504 C\n0.342592 0.291188 0.555769 S\n0.291188 0.342592 0.444231 S\n0.342592 0.291188 0.944231 S\n0.291188 0.342592 0.055769 S\n0.657408 0.708812 0.444231 S\n0.708812 0.657408 0.555769 S\n0.657408 0.708812 0.055769 S\n0.708812 0.657408 0.944231 S\n0.371466 0.031996 0.619173 N\n0.031996 0.371466 0.380827 N\n0.371466 0.031996 0.880827 N\n0.031996 0.371466 0.119173 N\n0.628534 0.968004 0.380827 N\n0.968004 0.628534 0.619173 N\n0.628534 0.968004 0.119173 N\n0.968004 0.628534 0.880827 N\n0.311726 0.013036 0.487085 N\n0.013036 0.311726 0.512915 N\n0.311726 0.013036 0.012915 N\n0.013036 0.311726 0.987085 N\n0.688274 0.986964 0.512915 N\n0.986964 0.688274 0.487085 N\n0.688274 0.986964 0.987085 N\n0.986964 0.688274 0.012915 N\n0.723632 0.276368 0.652709 Cl\n0.276368 0.723632 0.347291 Cl\n0.723632 0.276368 0.847291 Cl\n0.276368 0.723632 0.152709 Cl\n0.968243 0.031757 0.651150 Cl\n0.031757 0.968243 0.348850 Cl\n0.968243 0.031757 0.848850 Cl\n0.031757 0.968243 0.151150 Cl\n0.641728 0.945266 0.750000 Cl\n0.945266 0.641728 0.250000 Cl\n0.358272 0.054734 0.250000 Cl\n0.054734 0.358272 0.750000 Cl\n0.321123 0.678877 0.584124 Cl\n0.678877 0.321123 0.415876 Cl\n0.321123 0.678877 0.915876 Cl\n0.678877 0.321123 0.084124 Cl\n0.376276 0.228340 0.750000 O\n0.228340 0.376276 0.250000 O\n0.623724 0.771660 0.250000 O\n0.771660 0.623724 0.750000 O\n0.447887 0.552113 0.750000 O\n0.552113 0.447887 0.250000 O\n",
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"density": 2.0155307480482696,
"density_atomic": 0.07326407463096456,
"volume": 1364.9254495290613,
"volume_molar": 8.219773183970283,
"formula_full": "Re2 H44 C8 S8 N16 Cl16 O6",
"formula_reduced": "ReH22C4S4N8Cl8O3",
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"updated_at": "2021-11-28T01:36:06.187000Z",
"spacegroup": 63
},
{
"id": "mp-1202468",
"created_at": "2022-09-04T14:42:23.678909Z",
"structure_string": "U4 P8 H144 C48 Br8 N24 O16\n1.0\n10.825770 0.000000 0.000000\n0.000000 10.825770 0.000000\n0.000000 -0.000000 24.987677\nU P H C Br N O\n4 8 144 48 8 24 16\ndirect\n0.523846 0.476154 0.750000 U\n0.476154 0.523846 0.250000 U\n0.976154 0.976154 0.500000 U\n0.023846 0.023846 -0.000000 U\n0.282883 0.215739 0.762747 P\n0.717117 0.784261 0.262747 P\n0.715739 0.217117 0.512747 P\n0.284261 0.782883 0.012747 P\n0.784261 0.717117 0.737253 P\n0.215739 0.282883 0.237253 P\n0.217117 0.715739 0.487253 P\n0.782883 0.284261 0.987253 P\n0.239074 0.359679 0.675175 H\n0.760926 0.640321 0.175175 H\n0.859679 0.260926 0.425175 H\n0.140321 0.739074 0.925175 H\n0.640321 0.760926 0.824825 H\n0.359679 0.239074 0.324825 H\n0.260926 0.859679 0.574825 H\n0.739074 0.140321 0.074825 H\n0.091107 0.287519 0.667641 H\n0.908893 0.712481 0.167641 H\n0.787519 0.408893 0.417641 H\n0.212481 0.591107 0.917641 H\n0.712481 0.908893 0.832359 H\n0.287519 0.091107 0.332359 H\n0.408893 0.787519 0.582359 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C\n0.960322 0.542909 0.736074 C\n0.039678 0.457091 0.236074 C\n0.042909 0.539678 0.486074 C\n0.957091 0.460322 0.986074 C\n0.309643 0.032485 0.838464 C\n0.690357 0.967515 0.338464 C\n0.532485 0.190357 0.588464 C\n0.467515 0.809643 0.088464 C\n0.967515 0.690357 0.661536 C\n0.032485 0.309643 0.161536 C\n0.190357 0.532485 0.411536 C\n0.809643 0.467515 0.911536 C\n0.709395 0.290605 0.750000 Br\n0.290605 0.709395 0.250000 Br\n0.790605 0.790605 0.500000 Br\n0.209395 0.209395 -0.000000 Br\n0.336951 0.663049 0.750000 Br\n0.663049 0.336951 0.250000 Br\n0.163049 0.163049 0.500000 Br\n0.836951 0.836951 -0.000000 Br\n0.230956 0.176102 0.703141 N\n0.769044 0.823898 0.203141 N\n0.676102 0.269044 0.453141 N\n0.323898 0.730956 0.953141 N\n0.823898 0.769044 0.796859 N\n0.176102 0.230956 0.296859 N\n0.269044 0.676102 0.546859 N\n0.730956 0.323898 0.046859 N\n0.169064 0.262038 0.801445 N\n0.830936 0.737962 0.301445 N\n0.762038 0.330936 0.551445 N\n0.237962 0.669064 0.051445 N\n0.737962 0.830936 0.698555 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],
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"volume": 2928.4881800427474,
"volume_molar": 6.99832064849748,
"formula_full": "U4 P8 H144 C48 Br8 N24 O16",
"formula_reduced": "UP2H36C12Br2(N3O2)2",
"formula_anonymous": "AB2C2D4E6F12G36",
"energy": -1442.67608779,
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"updated_at": "2021-11-28T01:35:46.591000Z",
"spacegroup": 92
},
{
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