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        {
            "id": "mp-1204467",
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            "structure_string": "Cd2 H16 C8 N4 Cl4\n1.0\n6.747114 4.821233 0.000000\n-6.747114 4.821233 0.000000\n0.000000 0.172288 6.812144\nCd H C N Cl\n2 16 8 4 4\ndirect\n0.941305 0.058695 0.250000 Cd\n0.058695 0.941305 0.750000 Cd\n0.232844 0.424569 0.141301 H\n0.575431 0.767156 0.358699 H\n0.767156 0.575431 0.858699 H\n0.424569 0.232844 0.641301 H\n0.104179 0.521734 0.274300 H\n0.478266 0.895821 0.225700 H\n0.895821 0.478266 0.725700 H\n0.521734 0.104179 0.774300 H\n0.734601 0.267656 0.969630 H\n0.732344 0.265399 0.530370 H\n0.265399 0.732344 0.030370 H\n0.267656 0.734601 0.469630 H\n0.776879 0.421990 0.158084 H\n0.578010 0.223121 0.341916 H\n0.223121 0.578010 0.841916 H\n0.421990 0.776879 0.658084 H\n0.124789 0.472684 0.128147 C\n0.527316 0.875211 0.371853 C\n0.875211 0.527316 0.871853 C\n0.472684 0.124789 0.628147 C\n0.832336 0.380589 0.025994 C\n0.619411 0.167664 0.474006 C\n0.167664 0.619411 0.974006 C\n0.380589 0.832336 0.525994 C\n0.972988 0.331931 0.094729 N\n0.668069 0.027012 0.405271 N\n0.027012 0.668069 0.905271 N\n0.331931 0.972988 0.594729 N\n0.765522 0.918261 0.931682 Cl\n0.081739 0.234478 0.568318 Cl\n0.234478 0.081739 0.068318 Cl\n0.918261 0.765522 0.431682 Cl\n",
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            "structure_string": "Zn12 P8 H28 O46\n1.0\n8.386446 0.000000 0.000000\n1.553120 9.576307 0.000000\n1.644944 3.701087 11.694391\nZn P H O\n12 8 28 46\ndirect\n0.969967 0.597893 0.875806 Zn\n0.030033 0.402107 0.124194 Zn\n0.574405 0.605165 0.880891 Zn\n0.425595 0.394835 0.119109 Zn\n0.076780 0.879034 0.611298 Zn\n0.923220 0.120966 0.388702 Zn\n0.476073 0.858048 0.605373 Zn\n0.523927 0.141952 0.394627 Zn\n0.185842 0.597491 0.505177 Zn\n0.814158 0.402509 0.494823 Zn\n0.344434 0.657658 0.253532 Zn\n0.655566 0.342342 0.746468 Zn\n0.790919 0.299891 0.979392 P\n0.209081 0.700109 0.020608 P\n0.321075 0.559464 0.717641 P\n0.678925 0.440536 0.282359 P\n0.824063 0.639290 0.634367 P\n0.175937 0.360710 0.365633 P\n0.711924 0.081717 0.627574 P\n0.288076 0.918283 0.372426 P\n0.071502 0.849551 0.836881 H\n0.928498 0.150449 0.163119 H\n0.885723 0.891357 0.785267 H\n0.114277 0.108643 0.214733 H\n0.727681 0.774749 0.982546 H\n0.272319 0.225251 0.017454 H\n0.745375 0.604819 0.054486 H\n0.254625 0.395181 0.945514 H\n0.181189 0.092935 0.680981 H\n0.818811 0.907065 0.319019 H\n0.241777 0.111450 0.551953 H\n0.758223 0.888550 0.448047 H\n0.567399 0.891205 0.786972 H\n0.432601 0.108795 0.213028 H\n0.377903 0.843925 0.833918 H\n0.622097 0.156075 0.166082 H\n0.508320 0.879724 0.107390 H\n0.491680 0.120276 0.892610 H\n0.615725 0.805880 0.210745 H\n0.384275 0.194120 0.789255 H\n0.170376 0.315637 0.710329 H\n0.829624 0.684363 0.289671 H\n0.029548 0.235830 0.793476 H\n0.970452 0.764170 0.206524 H\n0.763403 0.004770 0.028465 H\n0.236597 0.995229 0.971535 H\n0.743007 0.013106 0.902769 H\n0.256993 0.986894 0.097231 H\n0.932039 0.386019 0.979795 O\n0.067961 0.613981 0.020205 O\n0.794597 0.158054 0.083634 O\n0.205403 0.841946 0.916366 O\n0.624198 0.396651 0.988692 O\n0.375802 0.603349 0.011308 O\n0.810449 0.260498 0.865192 O\n0.189551 0.739502 0.134808 O\n0.197900 0.523869 0.822925 O\n0.802100 0.476131 0.177075 O\n0.301913 0.470728 0.635853 O\n0.698087 0.529272 0.364147 O\n0.297452 0.727607 0.649844 O\n0.702548 0.272393 0.350156 O\n0.496527 0.519762 0.757525 O\n0.503473 0.480238 0.242475 O\n0.694283 0.754282 0.569020 O\n0.305717 0.245718 0.430980 O\n0.822065 0.485225 0.619691 O\n0.177935 0.514775 0.380309 O\n0.799097 0.621111 0.764758 O\n0.200903 0.378889 0.235242 O\n0.994439 0.689866 0.585223 O\n0.005561 0.310134 0.414777 O\n0.708570 0.987825 0.754359 O\n0.291430 0.012175 0.245641 O\n0.875186 0.039896 0.563736 O\n0.124814 0.960104 0.436264 O\n0.568696 0.057749 0.570252 O\n0.431304 0.942251 0.429748 O\n0.699639 0.248746 0.617238 O\n0.300361 0.751254 0.382762 O\n0.994990 0.829115 0.786622 O\n0.005010 0.170885 0.213378 O\n0.733197 0.674239 0.975249 O\n0.266803 0.325761 0.024751 O\n0.219569 0.034468 0.626205 O\n0.780431 0.965532 0.373795 O\n0.485760 0.821098 0.790680 O\n0.514240 0.178902 0.209320 O\n0.528617 0.791329 0.171885 O\n0.471383 0.208671 0.828115 O\n0.136500 0.218443 0.751990 O\n0.863500 0.781557 0.248010 O\n0.716475 0.956715 0.982563 O\n0.283525 0.043285 0.017437 O\n",
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            "created_at": "2022-09-04T14:45:43.379198Z",
            "structure_string": "Sr4 H16 Pt2 O16\n1.0\n-5.566901 0.000000 2.394438\n0.027647 0.000000 -6.071496\n0.000000 -11.187680 0.000000\nSr H Pt O\n4 16 2 16\ndirect\n0.729119 0.394669 0.871266 Sr\n0.270881 0.105331 0.371266 Sr\n0.270881 0.605331 0.128734 Sr\n0.729119 0.894669 0.628734 Sr\n0.145888 0.225176 0.806765 H\n0.854112 0.274824 0.306765 H\n0.854112 0.774824 0.193235 H\n0.145888 0.725176 0.693235 H\n0.754209 0.162723 0.122126 H\n0.245791 0.337277 0.622126 H\n0.245791 0.837277 0.877874 H\n0.754209 0.662723 0.377874 H\n0.589227 0.330652 0.584001 H\n0.410773 0.169348 0.084001 H\n0.410773 0.669348 0.415999 H\n0.589227 0.830652 0.915999 H\n0.364963 0.563448 0.759003 H\n0.635037 0.936552 0.259003 H\n0.635037 0.436552 0.240997 H\n0.364963 0.063448 0.740997 H\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.980352 0.122012 0.831002 O\n0.019648 0.377988 0.331002 O\n0.019648 0.877988 0.168998 O\n0.980352 0.622012 0.668998 O\n0.879391 0.250538 0.059430 O\n0.120609 0.249462 0.559430 O\n0.120609 0.749462 0.940570 O\n0.879391 0.750538 0.440570 O\n0.654326 0.256105 0.523474 O\n0.345674 0.243895 0.023474 O\n0.345674 0.743895 0.476526 O\n0.654326 0.756105 0.976526 O\n0.446164 0.467248 0.725680 O\n0.553836 0.032752 0.225680 O\n0.553836 0.532752 0.274320 O\n0.446164 0.967248 0.774320 O\n",
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            "created_at": "2022-09-04T14:45:39.084276Z",
            "structure_string": "U4 Se8 O28\n1.0\n6.808714 0.000000 0.000000\n-0.554598 9.574899 0.000000\n-0.526135 -4.046012 11.333734\nU Se O\n4 8 28\ndirect\n0.867007 0.345825 0.759128 U\n0.132993 0.654175 0.240872 U\n0.576989 0.951081 0.759777 U\n0.423011 0.048919 0.240223 U\n0.510919 0.634648 0.877389 Se\n0.489081 0.365352 0.122611 Se\n0.959687 0.760952 0.878682 Se\n0.040313 0.239048 0.121318 Se\n0.344602 0.247718 0.654321 Se\n0.655398 0.752282 0.345679 Se\n0.071735 0.960819 0.655039 Se\n0.928265 0.039181 0.344961 Se\n0.436101 0.751989 0.809159 O\n0.563899 0.248011 0.190841 O\n0.019531 0.586617 0.808262 O\n0.980469 0.413383 0.191738 O\n0.541716 0.183309 0.712747 O\n0.458284 0.816691 0.287253 O\n0.891016 0.076282 0.718213 O\n0.108984 0.923718 0.281787 O\n0.240443 0.989281 0.769800 O\n0.759557 0.010719 0.230200 O\n0.206595 0.316094 0.771866 O\n0.793405 0.683906 0.228134 O\n0.467308 0.153151 0.395870 O\n0.532692 0.846849 0.604130 O\n0.369876 0.939614 0.086798 O\n0.630124 0.060386 0.913202 O\n0.156999 0.631744 0.087379 O\n0.843001 0.368256 0.912621 O\n0.114726 0.683850 0.396094 O\n0.885274 0.316150 0.603906 O\n0.803200 0.928908 0.424443 O\n0.196800 0.071092 0.575557 O\n0.255847 0.269647 0.042883 O\n0.744153 0.730353 0.957117 O\n0.152320 0.190785 0.232635 O\n0.847680 0.809215 0.767365 O\n0.402265 0.506097 0.235373 O\n0.597735 0.493903 0.764627 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "U",
                "Se",
                "O"
            ],
            "chemical_system": "O-Se-U",
            "density": 4.566182037685774,
            "density_atomic": 0.05413618930341876,
            "volume": 738.8772744200885,
            "volume_molar": 11.124057377307302,
            "formula_full": "U4 Se8 O28",
            "formula_reduced": "USe2O7",
            "formula_anonymous": "AB2C7",
            "energy": -298.29276745,
            "energy_per_atom": -7.4573191862499995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -279.05676745,
            "band_gap": 2.0339,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0015293,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:07.015000Z",
            "spacegroup": 2
        }
    ]
}