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            "structure_string": "Ti2 Si6 H60 C20 N8 Cl4\n1.0\n9.909316 0.000000 0.000000\n-3.284266 9.887667 0.000000\n-1.058461 -0.379700 12.835276\nTi Si H C N Cl\n2 6 60 20 8 4\ndirect\n0.011669 0.591368 0.852002 Ti\n0.988331 0.408632 0.147998 Ti\n0.179085 0.903857 0.778201 Si\n0.820915 0.096143 0.221799 Si\n0.676960 0.389670 0.761507 Si\n0.323040 0.610330 0.238493 Si\n0.856553 0.700480 0.729195 Si\n0.143447 0.299520 0.270805 Si\n0.168962 0.887983 0.583857 H\n0.831038 0.112017 0.416143 H\n0.342809 0.981424 0.639207 H\n0.657191 0.018576 0.360793 H\n0.283544 0.801469 0.642416 H\n0.716456 0.198531 0.357584 H\n0.039157 0.057651 0.721732 H\n0.960843 0.942349 0.278268 H\n0.079970 0.069990 0.859113 H\n0.920030 0.930010 0.140887 H\n0.213943 0.149651 0.776007 H\n0.786057 0.850349 0.223993 H\n0.290187 0.927287 0.962094 H\n0.709813 0.072713 0.037906 H\n0.360899 0.825953 0.884599 H\n0.639101 0.174047 0.115401 H\n0.415968 0.004184 0.872163 H\n0.584032 0.995816 0.127837 H\n0.775487 0.245655 0.652547 H\n0.224513 0.754345 0.347453 H\n0.794734 0.208060 0.786788 H\n0.205266 0.791940 0.213212 H\n0.624810 0.149048 0.714825 H\n0.375190 0.850952 0.285175 H\n0.553003 0.451399 0.905166 H\n0.446997 0.548601 0.094834 H\n0.486754 0.275676 0.872623 H\n0.513246 0.724324 0.127377 H\n0.651312 0.342746 0.951004 H\n0.348688 0.657254 0.048996 H\n0.591979 0.425144 0.577921 H\n0.408021 0.574856 0.422079 H\n0.452333 0.322559 0.648554 H\n0.547667 0.677441 0.351446 H\n0.511875 0.500502 0.669617 H\n0.488125 0.499498 0.330383 H\n0.876991 0.848062 0.918204 H\n0.123009 0.151938 0.081796 H\n0.763900 0.946968 0.880724 H\n0.236100 0.053032 0.119276 H\n0.689417 0.781318 0.928161 H\n0.310583 0.218682 0.071839 H\n0.599730 0.745258 0.643923 H\n0.400270 0.254742 0.356077 H\n0.526846 0.721147 0.767291 H\n0.473154 0.278853 0.232709 H\n0.604259 0.887858 0.722928 H\n0.395741 0.112142 0.277072 H\n0.813146 0.896995 0.587628 H\n0.186854 0.103005 0.412372 H\n0.940372 0.873469 0.505253 H\n0.059628 0.126531 0.494747 H\n0.754990 0.793069 0.471714 H\n0.245010 0.206931 0.528286 H\n0.881533 0.519166 0.572465 H\n0.118467 0.480834 0.427535 H\n0.794911 0.575135 0.462467 H\n0.205089 0.424865 0.537533 H\n0.980695 0.653199 0.496547 H\n0.019305 0.346801 0.503453 H\n0.249740 0.891852 0.648634 C\n0.750260 0.108148 0.351366 C\n0.121873 0.058886 0.784388 C\n0.878127 0.941114 0.215612 C\n0.323903 0.914926 0.884562 C\n0.676097 0.085074 0.115438 C\n0.724541 0.234786 0.726147 C\n0.275459 0.765214 0.273853 C\n0.584648 0.363042 0.884769 C\n0.415352 0.636958 0.115231 C\n0.547472 0.413201 0.653948 C\n0.452528 0.586799 0.346052 C\n0.772485 0.843824 0.880587 C\n0.227515 0.156176 0.119413 C\n0.614409 0.785254 0.724132 C\n0.385591 0.214746 0.275868 C\n0.837590 0.823278 0.538155 C\n0.162410 0.176722 0.461845 C\n0.876713 0.607871 0.529151 C\n0.123287 0.392129 0.470849 C\n0.030852 0.758598 0.792208 N\n0.969148 0.241402 0.207792 N\n0.829913 0.535295 0.775744 N\n0.170087 0.464705 0.224256 N\n0.753639 0.790529 0.773772 N\n0.246361 0.209471 0.226228 N\n0.842645 0.704504 0.595522 N\n0.157355 0.295496 0.404478 N\n0.183912 0.525115 0.785268 Cl\n0.816088 0.474885 0.214732 Cl\n0.035636 0.657870 0.028701 Cl\n0.964364 0.342130 0.971299 Cl\n",
            "nsites": 100,
            "nelements": 6,
            "elements": [
                "Ti",
                "Si",
                "H",
                "C",
                "N",
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            ],
            "chemical_system": "C-Cl-H-N-Si-Ti",
            "density": 1.0811496229849837,
            "density_atomic": 0.07951650414674237,
            "volume": 1257.600558186722,
            "volume_molar": 7.573447581255011,
            "formula_full": "Ti2 Si6 H60 C20 N8 Cl4",
            "formula_reduced": "TiSi3H30C10(N2Cl)2",
            "formula_anonymous": "AB2C3D4E10F30",
            "energy": -549.88931058,
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            "energy_uncorrected": -544.54531058,
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            "is_magnetic": false,
            "total_magnetization": 3.9e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:53.465000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1202315",
            "created_at": "2022-09-04T14:42:22.519132Z",
            "structure_string": "Ti2 Si14 H84 C28 Cl4 O4\n1.0\n18.594539 0.000000 0.000000\n0.000000 9.773574 0.000000\n0.000000 2.032197 10.233890\nTi Si H C Cl O\n2 14 84 28 4 4\ndirect\n0.734761 0.347608 0.405960 Ti\n0.234761 0.652392 0.594040 Ti\n0.755761 0.252518 0.116835 Si\n0.255761 0.747482 0.883165 Si\n0.891838 0.177172 0.419732 Si\n0.391838 0.822828 0.580268 Si\n0.765864 0.466010 0.957666 Si\n0.265864 0.533990 0.042334 Si\n0.868188 0.139284 0.198861 Si\n0.368188 0.860716 0.801139 Si\n0.993390 0.327259 0.435344 Si\n0.493390 0.672741 0.564656 Si\n0.664345 0.099035 0.059496 Si\n0.164345 0.900965 0.940504 Si\n0.882294 0.970549 0.589101 Si\n0.382294 0.029451 0.410899 Si\n0.680395 0.659161 0.877516 H\n0.180395 0.340839 0.122484 H\n0.632360 0.502160 0.936677 H\n0.132360 0.497840 0.063323 H\n0.670361 0.598617 0.048846 H\n0.170361 0.401383 0.951154 H\n0.832350 0.363240 0.790661 H\n0.332350 0.636760 0.209339 H\n0.738145 0.370326 0.757804 H\n0.238145 0.629674 0.242196 H\n0.791036 0.524043 0.719219 H\n0.291036 0.475957 0.280781 H\n0.833235 0.687897 0.935423 H\n0.333235 0.312103 0.064577 H\n0.834414 0.598432 0.100663 H\n0.334414 0.401568 0.899337 H\n0.892761 0.544738 0.983683 H\n0.392761 0.455262 0.016317 H\n0.934686 0.186766 0.986659 H\n0.434686 0.813234 0.013341 H\n0.952301 0.321366 0.075824 H\n0.452301 0.678634 0.924176 H\n0.995699 0.156649 0.120068 H\n0.495699 0.843351 0.879932 H\n0.916462 0.896665 0.233324 H\n0.416462 0.103335 0.766676 H\n0.822189 0.892266 0.263115 H\n0.322189 0.107734 0.736885 H\n0.855553 0.926536 0.099965 H\n0.355553 0.073464 0.900035 H\n0.025604 0.568820 0.328152 H\n0.525604 0.431180 0.671848 H\n0.985843 0.478952 0.212689 H\n0.485843 0.521048 0.787311 H\n0.930799 0.544471 0.327274 H\n0.430799 0.455529 0.672726 H\n0.043256 0.447477 0.604738 H\n0.543257 0.552523 0.395262 H\n0.948634 0.425047 0.624986 H\n0.448634 0.574953 0.375014 H\n0.008005 0.281975 0.678957 H\n0.508005 0.718025 0.321043 H\n0.084835 0.136892 0.470032 H\n0.584835 0.863108 0.529968 H\n0.079728 0.217704 0.301846 H\n0.579728 0.782296 0.698154 H\n0.125657 0.302060 0.415053 H\n0.625657 0.697940 0.584947 H\n0.651446 0.953177 0.890534 H\n0.151446 0.046823 0.109466 H\n0.716207 0.086311 0.841217 H\n0.216207 0.913689 0.158783 H\n0.739356 0.934954 0.959332 H\n0.239356 0.065046 0.040668 H\n0.560937 0.261432 0.071233 H\n0.060937 0.738568 0.928767 H\n0.586933 0.264993 0.905808 H\n0.086933 0.735007 0.094192 H\n0.535954 0.122952 0.992005 H\n0.035954 0.877048 0.007995 H\n0.598448 0.894959 0.185607 H\n0.098448 0.105041 0.814393 H\n0.687794 0.900039 0.244627 H\n0.187794 0.099961 0.755373 H\n0.621550 0.015237 0.287509 H\n0.121550 0.984763 0.712491 H\n0.956237 0.050094 0.761782 H\n0.456237 0.949906 0.238218 H\n0.864474 0.100811 0.771637 H\n0.364474 0.899189 0.228363 H\n0.890964 0.925154 0.832098 H\n0.390964 0.074846 0.167902 H\n0.779587 0.814531 0.672148 H\n0.279587 0.185469 0.327852 H\n0.748242 0.983672 0.600561 H\n0.248242 0.016328 0.399439 H\n0.775390 0.864988 0.499531 H\n0.275390 0.135012 0.500469 H\n0.934195 0.785940 0.480371 H\n0.434195 0.214060 0.519629 H\n0.002843 0.865338 0.560050 H\n0.502843 0.134662 0.439950 H\n0.943321 0.742691 0.653086 H\n0.443321 0.257309 0.346914 H\n0.678584 0.564991 0.955402 C\n0.178584 0.435009 0.044598 C\n0.783538 0.426306 0.791055 C\n0.283538 0.573694 0.208945 C\n0.838930 0.584101 0.999230 C\n0.338930 0.415899 0.000770 C\n0.944982 0.208944 0.084618 C\n0.444982 0.791056 0.915382 C\n0.864657 0.945098 0.199547 C\n0.364657 0.054902 0.800453 C\n0.982648 0.495537 0.313480 C\n0.482648 0.504463 0.686520 C\n0.998413 0.373822 0.602458 C\n0.498413 0.626178 0.397542 C\n0.078793 0.236884 0.402168 C\n0.578793 0.763116 0.597832 C\n0.696472 0.010239 0.925118 C\n0.196472 0.989761 0.074882 C\n0.579315 0.197723 0.001777 C\n0.079315 0.802277 0.998223 C\n0.641158 0.964694 0.208924 C\n0.141158 0.035306 0.791076 C\n0.900261 0.017166 0.753912 C\n0.400261 0.982834 0.246088 C\n0.787380 0.902828 0.589617 C\n0.287380 0.097172 0.410383 C\n0.947025 0.828791 0.567432 C\n0.447025 0.171209 0.432568 C\n0.737856 0.580618 0.389085 Cl\n0.237856 0.419382 0.610915 Cl\n0.647284 0.260822 0.548479 Cl\n0.147284 0.739178 0.451521 Cl\n0.719183 0.308076 0.249479 O\n0.219183 0.691924 0.750521 O\n0.819417 0.272661 0.456543 O\n0.319417 0.727339 0.543457 O\n",
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            "density": 0.9961385600739311,
            "density_atomic": 0.07312389940323359,
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            "formula_full": "Ti2 Si14 H84 C28 Cl4 O4",
            "formula_reduced": "TiSi7H42C14(ClO)2",
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            "updated_at": "2021-11-28T01:35:48.363000Z",
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        {
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}