Matproj Structure

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    "results": [
        {
            "id": "mp-1250639",
            "created_at": "2022-09-04T14:42:58.691153Z",
            "structure_string": "Si120 O240\n1.0\n13.976339 -0.000087 0.000246\n-6.988454 12.104027 -0.000135\n-0.000140 0.000103 41.252553\nSi O\n120 240\ndirect\n0.721352 0.050745 0.068736 Si\n0.388427 0.385016 0.402037 Si\n0.055115 0.718315 0.735408 Si\n0.923183 0.658579 0.068784 Si\n0.589286 0.991923 0.402052 Si\n0.255991 0.325314 0.735410 Si\n0.315405 0.252548 0.068824 Si\n0.982397 0.585872 0.402040 Si\n0.649009 0.919188 0.735406 Si\n0.945345 0.269799 0.067327 Si\n0.612756 0.603992 0.400711 Si\n0.279389 0.937336 0.734016 Si\n0.310530 0.028430 0.067292 Si\n0.977070 0.361532 0.400708 Si\n0.643777 0.694910 0.734012 Si\n0.703878 0.663403 0.067319 Si\n0.370328 0.997333 0.400731 Si\n0.036979 0.330609 0.734023 Si\n0.251773 0.923932 0.928591 Si\n0.918289 0.256806 0.262021 Si\n0.585002 0.590351 0.595325 Si\n0.050365 0.316343 0.928633 Si\n0.717497 0.649952 0.262030 Si\n0.383990 0.983237 0.595336 Si\n0.657966 0.722512 0.928629 Si\n0.324305 0.056008 0.262050 Si\n0.991061 0.389320 0.595340 Si\n0.027666 0.704709 0.930111 Si\n0.693934 0.037814 0.263368 Si\n0.360742 0.371291 0.596726 Si\n0.662787 0.946586 0.930078 Si\n0.329690 0.280360 0.263344 Si\n0.996279 0.613604 0.596723 Si\n0.269586 0.311430 0.930142 Si\n0.936430 0.644529 0.263356 Si\n0.603042 0.978003 0.596720 Si\n0.119254 0.245738 0.107262 Si\n0.786476 0.579268 0.440566 Si\n0.453027 0.912590 0.773896 Si\n0.728167 0.861583 0.107212 Si\n0.395078 0.195787 0.440577 Si\n0.061753 0.528978 0.773900 Si\n0.112227 0.854849 0.107231 Si\n0.778589 0.187856 0.440563 Si\n0.445356 0.521314 0.773888 Si\n0.854127 0.729356 0.890172 Si\n0.520208 0.062619 0.223544 Si\n0.187077 0.396010 0.556848 Si\n0.244961 0.113311 0.890166 Si\n0.911650 0.446093 0.223494 Si\n0.578315 0.779646 0.556830 Si\n0.861021 0.120196 0.890163 Si\n0.528173 0.454073 0.223496 Si\n0.194679 0.787250 0.556847 Si\n0.186464 0.389673 0.170461 Si\n0.853315 0.723041 0.503766 Si\n0.519789 0.056366 0.837088 Si\n0.584657 0.785342 0.170474 Si\n0.251358 0.118887 0.503776 Si\n0.918073 0.452061 0.837101 Si\n0.188865 0.787927 0.170465 Si\n0.855455 0.121039 0.503770 Si\n0.522291 0.454599 0.837100 Si\n0.787066 0.585624 0.826951 Si\n0.453430 0.918856 0.160373 Si\n0.120142 0.252272 0.493635 Si\n0.388677 0.190023 0.826942 Si\n0.055365 0.523097 0.160301 Si\n0.722035 0.856435 0.493621 Si\n0.784385 0.187302 0.826945 Si\n0.451278 0.520806 0.160275 Si\n0.117931 0.854199 0.493626 Si\n0.106464 0.228293 0.230855 Si\n0.773184 0.561714 0.564190 Si\n0.439855 0.895028 0.897504 Si\n0.746024 0.866653 0.230882 Si\n0.412662 0.200061 0.564203 Si\n0.079296 0.533367 0.897546 Si\n0.107576 0.867837 0.230910 Si\n0.774287 0.201144 0.564204 Si\n0.440919 0.534412 0.897565 Si\n0.866944 0.746918 0.766532 Si\n0.533459 0.079963 0.099896 Si\n0.200276 0.413574 0.433206 Si\n0.227380 0.108535 0.766522 Si\n0.894073 0.441501 0.099876 Si\n0.560746 0.775202 0.433201 Si\n0.865785 0.107394 0.766524 Si\n0.532501 0.440633 0.099866 Si\n0.199117 0.774081 0.433197 Si\n0.208459 0.980262 0.998234 Si\n0.874714 0.312896 0.331634 Si\n0.541482 0.646445 0.664944 Si\n0.993926 0.216447 0.998227 Si\n0.661398 0.550311 0.331637 Si\n0.327867 0.883561 0.664943 Si\n0.757715 0.765958 0.998278 Si\n0.424057 0.099687 0.331646 Si\n0.090789 0.432900 0.664946 Si\n0.979446 0.758560 0.999182 Si\n0.645360 0.091587 0.332449 Si\n0.312204 0.425046 0.665798 Si\n0.764992 0.994930 0.999110 Si\n0.432018 0.329012 0.332428 Si\n0.098604 0.662149 0.665786 Si\n0.215688 0.209233 0.999189 Si\n0.882685 0.542223 0.332441 Si\n0.549267 0.875675 0.665794 Si\n0.986666 0.987582 0.198832 Si\n0.653389 0.320975 0.532163 Si\n0.320020 0.654254 0.865469 Si\n0.986699 0.987612 0.798571 Si\n0.653312 0.320776 0.131961 Si\n0.320025 0.654285 0.465239 Si\n0.986497 0.987375 0.120469 Si\n0.653384 0.320950 0.453803 Si\n0.320029 0.654251 0.787117 Si\n0.986705 0.987612 0.876931 Si\n0.653321 0.320863 0.210309 Si\n0.320019 0.654305 0.543596 Si\n0.689454 0.940221 0.089463 O\n0.356720 0.274710 0.422858 O\n0.023447 0.608109 0.756280 O\n0.032998 0.737030 0.089821 O\n0.699605 0.070534 0.422865 O\n0.366176 0.403834 0.756294 O\n0.236990 0.284038 0.089830 O\n0.903788 0.617550 0.422870 O\n0.570463 0.950807 0.756290 O\n0.055627 0.298824 0.087944 O\n0.722565 0.632594 0.421518 O\n0.389309 0.965966 0.754769 O\n0.229033 0.918343 0.087946 O\n0.895850 0.251761 0.421524 O\n0.562486 0.585019 0.754773 O\n0.675057 0.744313 0.088190 O\n0.341713 0.078486 0.421558 O\n0.008308 0.411817 0.754802 O\n0.283207 0.033839 0.907596 O\n0.949969 0.367085 0.241186 O\n0.616635 0.700551 0.574459 O\n0.940424 0.237832 0.907650 O\n0.607152 0.571361 0.241216 O\n0.273778 0.904667 0.574478 O\n0.736431 0.691080 0.907625 O\n0.402874 0.024240 0.241237 O\n0.069645 0.357720 0.574466 O\n0.917556 0.675954 0.909446 O\n0.584123 0.009231 0.242561 O\n0.250849 0.342665 0.575961 O\n0.744137 0.056696 0.909410 O\n0.410873 0.390132 0.242516 O\n0.077531 0.723460 0.575944 O\n0.298346 0.230093 0.909467 O\n0.965061 0.563367 0.242534 O\n0.631682 0.896771 0.575943 O\n0.635219 0.091660 0.078052 O\n0.302223 0.425865 0.411334 O\n0.968913 0.759201 0.744671 O\n0.882465 0.531448 0.077944 O\n0.548457 0.864855 0.411325 O\n0.215112 0.198213 0.744656 O\n0.442513 0.338801 0.078036 O\n0.109463 0.672154 0.411312 O\n0.776102 0.005466 0.744649 O\n0.912168 0.362814 0.074828 O\n0.579780 0.697211 0.408118 O\n0.246423 0.030545 0.741444 O\n0.436655 0.061361 0.074781 O\n0.103254 0.394458 0.408110 O\n0.769939 0.727830 0.741434 O\n0.610806 0.537133 0.074684 O\n0.277081 0.871129 0.408114 O\n0.943775 0.204420 0.741440 O\n0.338050 0.883099 0.919378 O\n0.004505 0.215955 0.252733 O\n0.671252 0.549538 0.586047 O\n0.091183 0.443446 0.919406 O\n0.758409 0.777035 0.252747 O\n0.424808 0.110311 0.586071 O\n0.530845 0.636154 0.919445 O\n0.197225 0.969774 0.252789 O\n0.864004 0.303031 0.586080 O\n0.060715 0.611582 0.922658 O\n0.726829 0.944528 0.255970 O\n0.393729 0.278100 0.589294 O\n0.536623 0.913543 0.922615 O\n0.203476 0.247319 0.255944 O\n0.870107 0.580650 0.589298 O\n0.362709 0.437590 0.922672 O\n0.029656 0.770743 0.255983 O\n0.696246 0.104186 0.589299 O\n0.846369 0.147478 0.077772 O\n0.513423 0.481769 0.411046 O\n0.180113 0.815129 0.744393 O\n0.826121 0.686470 0.077685 O\n0.492530 0.020155 0.411072 O\n0.159182 0.353509 0.744397 O\n0.287445 0.127566 0.077717 O\n0.954259 0.460912 0.411051 O\n0.620903 0.794220 0.744391 O\n0.126782 0.826936 0.919695 O\n0.793302 0.160007 0.253013 O\n0.460010 0.493508 0.586351 O\n0.147361 0.288342 0.919728 O\n0.814221 0.621664 0.253006 O\n0.480836 0.955098 0.586347 O\n0.685886 0.847443 0.919682 O\n0.352549 0.180988 0.253016 O\n0.019163 0.514289 0.586355 O\n0.713426 0.025228 0.030086 O\n0.380351 0.359257 0.363401 O\n0.046994 0.692354 0.696781 O\n0.949576 0.676866 0.030188 O\n0.615037 0.009654 0.363415 O\n0.281979 0.343211 0.696786 O\n0.297274 0.260824 0.030226 O\n0.964624 0.593895 0.363405 O\n0.631102 0.927290 0.696782 O\n0.968126 0.273492 0.028637 O\n0.636088 0.607687 0.362059 O\n0.302512 0.940945 0.695352 O\n0.291394 0.005699 0.028602 O\n0.957411 0.338221 0.362054 O\n0.624233 0.671785 0.695348 O\n0.700219 0.683126 0.028669 O\n0.366708 0.017048 0.362079 O\n0.033377 0.350192 0.695363 O\n0.260043 0.950275 0.967193 O\n0.926364 0.282649 0.300657 O\n0.593120 0.616266 0.633954 O\n0.024080 0.298300 0.967243 O\n0.691733 0.632250 0.300670 O\n0.358114 0.965434 0.633965 O\n0.676161 0.714349 0.967230 O\n0.342094 0.048007 0.300687 O\n0.008937 0.381252 0.633967 O\n0.004815 0.701137 0.968789 O\n0.670645 0.034211 0.302020 O\n0.337563 0.367658 0.635389 O\n0.682018 0.969385 0.968757 O\n0.349361 0.303714 0.301997 O\n0.015834 0.636795 0.635384 O\n0.273184 0.292168 0.968824 O\n0.940045 0.624844 0.302008 O\n0.606652 0.958417 0.635382 O\n0.140655 0.288539 0.144527 O\n0.808795 0.621940 0.477845 O\n0.475074 0.955233 0.811178 O\n0.685658 0.841191 0.144505 O\n0.352489 0.175537 0.477865 O\n0.019239 0.508516 0.811198 O\n0.133485 0.833698 0.144536 O\n0.798885 0.165584 0.477852 O\n0.465918 0.499373 0.811188 O\n0.832656 0.686762 0.852884 O\n0.497923 0.020093 0.186247 O\n0.164986 0.353356 0.519567 O\n0.287553 0.134486 0.852878 O\n0.954195 0.466399 0.186197 O\n0.620929 0.800169 0.519547 O\n0.839977 0.141778 0.852880 O\n0.507934 0.476385 0.186201 O\n0.174168 0.809362 0.519564 O\n0.043763 0.112591 0.106764 O\n0.710932 0.446117 0.440038 O\n0.377374 0.779450 0.773385 O\n0.861353 0.919612 0.106679 O\n0.528219 0.253373 0.440027 O\n0.194888 0.586501 0.773335 O\n0.054430 0.930228 0.106636 O\n0.720983 0.263397 0.440016 O\n0.387847 0.596945 0.773320 O\n0.929812 0.862497 0.890718 O\n0.595771 0.195762 0.224123 O\n0.262654 0.529159 0.557375 O\n0.111823 0.055862 0.890712 O\n0.778510 0.388540 0.224051 O\n0.445174 0.722076 0.557369 O\n0.918467 0.044511 0.890698 O\n0.585760 0.378516 0.224040 O\n0.252254 0.711681 0.557378 O\n0.150233 0.333533 0.206322 O\n0.817058 0.666886 0.539624 O\n0.484092 0.000321 0.872976 O\n0.640906 0.805073 0.206311 O\n0.307476 0.138734 0.539640 O\n0.974050 0.472336 0.872996 O\n0.169022 0.824175 0.206329 O\n0.835585 0.157292 0.539632 O\n0.501927 0.490228 0.872995 O\n0.823198 0.641748 0.791090 O\n0.489231 0.974791 0.124474 O\n0.156572 0.308435 0.457780 O\n0.332549 0.169980 0.791080 O\n-0.000588 0.502517 0.124394 O\n0.665907 0.836677 0.457764 O\n0.804349 0.151121 0.791086 O\n0.471653 0.485131 0.124387 O\n0.137653 0.817762 0.457768 O\n0.133064 0.467407 0.163060 O\n0.798719 0.799578 0.496179 O\n0.464896 0.132710 0.829640 O\n0.507213 0.654246 0.162968 O\n0.174855 0.987753 0.496170 O\n0.841746 0.320837 0.829625 O\n0.319995 0.841404 0.163042 O\n0.653530 0.509455 0.829653 O\n0.508452 0.842694 0.167919 O\n0.174262 0.175294 0.501216 O\n0.840781 0.508204 0.834383 O\n0.320025 0.465615 0.167753 O\n0.653241 0.133627 0.834377 O\n0.131266 0.654382 0.167755 O\n0.798981 0.987535 0.501204 O\n0.466094 0.321166 0.834360 O\n0.986825 0.800106 0.501201 O\n0.986595 0.175608 0.496184 O\n0.067264 0.113892 0.210949 O\n0.733864 0.447220 0.544335 O\n0.400283 0.780595 0.877595 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O\n0.986517 0.987183 0.159573 O\n0.653378 0.320922 0.492906 O\n0.319981 0.654061 0.826217 O\n0.986701 0.987588 0.837829 O\n0.653205 0.320585 0.171211 O\n0.319995 0.654281 0.504495 O\n",
            "nsites": 360,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.7156107918917545,
            "density_atomic": 0.0515857704011744,
            "volume": 6978.668675495912,
            "volume_molar": 11.674034744788653,
            "formula_full": "Si120 O240",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -3011.40907361,
            "energy_per_atom": -8.365025204472223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2846.52907361,
            "band_gap": 5.6677,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0040707,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:55.944000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1250551",
            "created_at": "2022-09-04T14:45:23.568281Z",
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            "nelements": 2,
            "elements": [
                "Si",
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            "chemical_system": "O-Si",
            "density": 1.80428980631645,
            "density_atomic": 0.05425221158884641,
            "volume": 6193.295907388916,
            "volume_molar": 11.100267774591659,
            "formula_full": "Si112 O224",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -2809.5443243400005,
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            "decomposes_to": null,
            "formation_energy": null,
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            "energy_uncorrected": -2655.65632434,
            "band_gap": 5.6892,
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            "is_magnetic": false,
            "total_magnetization": 0.0003861,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:07.105000Z",
            "spacegroup": 64
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            "created_at": "2022-09-04T14:45:18.757889Z",
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            "nsites": 336,
            "nelements": 2,
            "elements": [
                "C",
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            "chemical_system": "C-F",
            "density": 1.9769796344258597,
            "density_atomic": 0.08207222270331045,
            "volume": 4093.9551645217857,
            "volume_molar": 7.33761138865451,
            "formula_full": "C216 F120",
            "formula_reduced": "C9F5",
            "formula_anonymous": "A5B9",
            "energy": -2475.8787697400003,
            "energy_per_atom": -7.368686814702381,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2420.43876974,
            "band_gap": 1.4988,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0059739,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:56.969000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-1205237",
            "created_at": "2022-09-04T14:47:10.159493Z",
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C\n0.278233 0.271246 0.918421 C\n0.778233 0.771246 0.581579 C\n0.028950 0.736410 0.072622 C\n0.528950 0.236410 0.427378 C\n0.971050 0.263590 0.927378 C\n0.471050 0.763590 0.572622 C\n0.704534 0.746290 0.784136 C\n0.204534 0.246290 0.715864 C\n0.295466 0.253710 0.215864 C\n0.795466 0.753710 0.284136 C\n0.011732 0.753962 0.775167 C\n0.511732 0.253962 0.724833 C\n0.988268 0.246038 0.224833 C\n0.488268 0.746038 0.275167 C\n0.115860 0.700882 0.966862 C\n0.615860 0.200882 0.533138 C\n0.884140 0.299118 0.033138 C\n0.384140 0.799118 0.466862 C\n0.873333 0.660211 0.094389 C\n0.373333 0.160211 0.405611 C\n0.126667 0.339789 0.905611 C\n0.626667 0.839789 0.594389 C\n0.619171 0.688350 0.981282 C\n0.119171 0.188350 0.518718 C\n0.380829 0.311650 0.018718 C\n0.880829 0.811650 0.481282 C\n0.754914 0.815481 0.780505 C\n0.254914 0.315481 0.719495 C\n0.245086 0.184519 0.219495 C\n0.745086 0.684519 0.280505 C\n0.057424 0.810812 0.814342 C\n0.557424 0.310812 0.685658 C\n0.942576 0.189188 0.185658 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C\n0.737138 0.870237 0.832421 C\n0.237138 0.370237 0.667579 C\n0.262862 0.129763 0.167579 C\n0.762862 0.629763 0.332421 C\n0.004322 0.875769 0.828765 C\n0.504322 0.375769 0.671235 C\n0.995678 0.124231 0.171235 C\n0.495678 0.624231 0.328765 C\n0.089119 0.829208 0.996685 C\n0.589119 0.329208 0.503315 C\n0.910881 0.170792 0.003315 C\n0.410881 0.670792 0.496685 C\n0.874397 0.794756 0.104178 C\n0.374397 0.294756 0.395822 C\n0.125603 0.205244 0.895822 C\n0.625603 0.705244 0.604178 C\n0.656870 0.820248 0.002696 C\n0.156870 0.320248 0.497304 C\n0.343130 0.179752 0.997304 C\n0.843130 0.679752 0.502696 C\n0.831574 0.910982 0.846520 C\n0.331574 0.410982 0.653480 C\n0.168426 0.089018 0.153480 C\n0.668426 0.589018 0.346520 C\n0.028531 0.899430 0.898521 C\n0.528531 0.399430 0.601479 C\n0.971469 0.100570 0.101479 C\n0.471469 0.600570 0.398521 C\n0.012976 0.858647 0.039894 C\n0.512976 0.358647 0.460106 C\n0.987024 0.141353 0.960106 C\n0.487024 0.641353 0.539894 C\n0.806202 0.845279 0.075442 C\n0.306202 0.345279 0.424558 C\n0.193798 0.154721 0.924558 C\n0.693798 0.654721 0.575442 C\n0.693908 0.877660 0.955790 C\n0.193908 0.377660 0.544210 C\n0.306092 0.122340 0.044210 C\n0.806092 0.622340 0.455790 C\n0.854849 0.933768 0.913608 C\n0.354849 0.433768 0.586392 C\n0.145151 0.066232 0.086392 C\n0.645151 0.566232 0.413608 C\n0.955342 0.927811 0.940084 C\n0.455342 0.427811 0.559916 C\n0.044658 0.072189 0.059916 C\n0.544658 0.572189 0.440084 C\n0.947362 0.907148 0.012146 C\n0.447362 0.407148 0.487854 C\n0.052638 0.092852 0.987854 C\n0.552638 0.592852 0.512146 C\n0.842006 0.900358 0.030341 C\n0.342006 0.400358 0.469659 C\n0.157994 0.099642 0.969659 C\n0.657994 0.599642 0.530341 C\n0.784871 0.917056 0.969352 C\n0.284871 0.417056 0.530648 C\n0.215129 0.082944 0.030648 C\n0.715129 0.582944 0.469352 C\n0.008861 0.929721 0.223451 Cl\n0.508861 0.429721 0.276549 Cl\n0.991139 0.070279 0.776549 Cl\n0.491139 0.570279 0.723451 Cl\n0.237206 0.976227 0.311866 Cl\n0.737206 0.476227 0.188134 Cl\n0.762794 0.023773 0.688134 Cl\n0.262794 0.523773 0.811866 Cl\n0.243041 0.888780 0.147626 Cl\n0.743041 0.388780 0.352374 Cl\n0.756959 0.111220 0.852374 Cl\n0.256959 0.611220 0.647626 Cl\n0.146179 0.789028 0.293464 Cl\n0.646179 0.289028 0.206536 Cl\n0.853821 0.210972 0.706536 Cl\n0.353821 0.710972 0.793464 Cl\n0.926261 0.255670 0.403327 Cl\n0.426261 0.755670 0.096673 Cl\n0.073739 0.744330 0.596673 Cl\n0.573739 0.244330 0.903327 Cl\n0.978887 0.069220 0.367094 Cl\n0.478887 0.569220 0.132906 Cl\n0.021113 0.930780 0.632906 Cl\n0.521113 0.430780 0.867094 Cl\n0.844405 0.112181 0.518349 Cl\n0.344405 0.612181 0.981651 Cl\n0.155595 0.887819 0.481651 Cl\n0.655595 0.387819 0.018349 Cl\n0.732553 0.129243 0.350751 Cl\n0.232553 0.629243 0.149249 Cl\n0.267447 0.870757 0.649249 Cl\n0.767447 0.370757 0.850751 Cl\n0.618215 0.135022 0.067973 Cl\n0.118215 0.635022 0.432027 Cl\n0.381785 0.864978 0.932027 Cl\n0.881785 0.364978 0.567973 Cl\n0.520601 0.088111 0.235702 Cl\n0.020601 0.588111 0.264298 Cl\n0.479399 0.911889 0.764298 Cl\n0.979399 0.411889 0.735702 Cl\n0.743543 0.013384 0.174353 Cl\n0.243543 0.513384 0.325647 Cl\n0.256457 0.986616 0.825647 Cl\n0.756457 0.486616 0.674353 Cl\n0.507938 0.955937 0.099857 Cl\n0.007938 0.455937 0.400143 Cl\n0.492062 0.044063 0.900143 Cl\n0.992062 0.544063 0.599857 Cl\n",
            "nsites": 300,
            "nelements": 3,
            "elements": [
                "Ti",
                "C",
                "Cl"
            ],
            "chemical_system": "C-Cl-Ti",
            "density": 1.7962174309901986,
            "density_atomic": 0.06290561958863433,
            "volume": 4769.049283066014,
            "volume_molar": 9.573295358000207,
            "formula_full": "Ti12 C240 Cl48",
            "formula_reduced": "Ti(C5Cl)4",
            "formula_anonymous": "AB4C20",
            "energy": -2430.27790533,
            "energy_per_atom": -8.1009263511,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2400.80590533,
            "band_gap": 1.1041,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 4e-07,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:54.104000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1200292",
            "created_at": "2022-09-04T14:42:41.430632Z",
            "structure_string": "Si96 O192\n1.0\n0.000000 -0.003710 -13.606316\n0.000000 -20.241155 0.231066\n-20.478111 0.000000 0.000000\nSi O\n96 192\ndirect\n0.179943 0.555450 0.079514 Si\n0.820057 0.444550 0.920486 Si\n0.679943 0.055450 0.420486 Si\n0.320057 0.944550 0.579514 Si\n0.336446 0.530747 0.186229 Si\n0.663554 0.469253 0.813771 Si\n0.836446 0.030747 0.313771 Si\n0.163554 0.969253 0.686229 Si\n0.553325 0.562414 0.220484 Si\n0.446675 0.437586 0.779516 Si\n0.053325 0.062414 0.279516 Si\n0.946675 0.937586 0.720484 Si\n0.536793 0.562269 0.375996 Si\n0.463207 0.437731 0.624004 Si\n0.036793 0.062269 0.124004 Si\n0.963207 0.937731 0.875996 Si\n0.324294 0.527895 0.423225 Si\n0.675706 0.472105 0.576775 Si\n0.824294 0.027895 0.076775 Si\n0.175706 0.972105 0.923225 Si\n0.186718 0.555794 0.304319 Si\n0.813282 0.444206 0.695681 Si\n0.686718 0.055794 0.195681 Si\n0.313282 0.944206 0.804319 Si\n0.180659 0.328619 0.074531 Si\n0.819341 0.671381 0.925469 Si\n0.680659 0.828619 0.425469 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            "nsites": 288,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.6982993690291477,
            "density_atomic": 0.051065242616359426,
            "volume": 5639.843957340475,
            "volume_molar": 11.7930326998402,
            "formula_full": "Si96 O192",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -2408.82866243,
            "energy_per_atom": -8.363988411215278,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2276.92466243,
            "band_gap": 5.7088,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 6.2e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:52.444000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1195265",
            "created_at": "2022-09-04T14:47:39.613329Z",
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            "elements": [
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C\n0.506389 0.700732 0.991891 C\n0.993611 0.799268 0.491891 C\n0.276224 0.925527 0.236351 C\n0.223776 0.574473 0.736351 C\n0.723776 0.425527 0.763649 C\n0.776224 0.074473 0.263649 C\n0.723776 0.074473 0.763649 C\n0.776224 0.425527 0.263649 C\n0.276224 0.574473 0.236351 C\n0.223776 0.925527 0.736351 C\n0.313664 0.846431 0.352652 C\n0.186336 0.653569 0.852652 C\n0.686336 0.346431 0.647348 C\n0.813664 0.153569 0.147348 C\n0.686336 0.153569 0.647348 C\n0.813664 0.346431 0.147348 C\n0.313664 0.653569 0.352652 C\n0.186336 0.846431 0.852652 C\n0.337989 0.926000 0.306541 C\n0.162011 0.574000 0.806541 C\n0.662011 0.426000 0.693459 C\n0.837989 0.074000 0.193459 C\n0.662011 0.074000 0.693459 C\n0.837989 0.426000 0.193459 C\n0.337989 0.574000 0.306541 C\n0.162011 0.926000 0.806541 C\n0.625091 0.931215 0.150489 C\n0.874909 0.568785 0.650489 C\n0.374909 0.431215 0.849511 C\n0.125091 0.068785 0.349511 C\n0.374909 0.068785 0.849511 C\n0.125091 0.431215 0.349511 C\n0.625091 0.568785 0.150489 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C\n0.675669 0.796822 0.039142 C\n0.824331 0.703178 0.539142 C\n0.324331 0.296822 0.960858 C\n0.175669 0.203178 0.460857 C\n0.324331 0.203178 0.960858 C\n0.175669 0.296822 0.460857 C\n0.675669 0.703178 0.039142 C\n0.824331 0.796822 0.539142 C\n0.671518 0.834076 0.292992 C\n0.828482 0.665924 0.792992 C\n0.328482 0.334076 0.707008 C\n0.171518 0.165924 0.207008 C\n0.328482 0.165924 0.707008 C\n0.171518 0.334076 0.207008 C\n0.671518 0.665924 0.292992 C\n0.828482 0.834076 0.792992 C\n0.713667 0.877047 0.156912 C\n0.786333 0.622953 0.656912 C\n0.286333 0.377047 0.843088 C\n0.213667 0.122953 0.343088 C\n0.286333 0.122953 0.843088 C\n0.213667 0.377047 0.343088 C\n0.713667 0.622953 0.156912 C\n0.786333 0.877047 0.656912 C\n0.735869 0.830273 0.225443 C\n0.764131 0.669727 0.725443 C\n0.264131 0.330273 0.774557 C\n0.235869 0.169727 0.274557 C\n0.264131 0.169727 0.774557 C\n0.235869 0.330273 0.274557 C\n0.735869 0.669727 0.225443 C\n0.764131 0.830273 0.725443 C\n0.515120 0.906400 0.342671 C\n0.984880 0.593600 0.842671 C\n0.484880 0.406400 0.657329 C\n0.015120 0.093600 0.157329 C\n0.484880 0.093600 0.657329 C\n0.015120 0.406400 0.157329 C\n0.515120 0.593600 0.342671 C\n0.984880 0.906400 0.842671 C\n0.292253 0.905716 0.092788 C\n0.207747 0.594284 0.592788 C\n0.707747 0.405716 0.907212 C\n0.792253 0.094284 0.407212 C\n0.707747 0.094284 0.907212 C\n0.792253 0.405716 0.407212 C\n0.292253 0.594284 0.092788 C\n0.207747 0.905716 0.592788 C\n0.603954 0.907102 0.294403 C\n0.896046 0.592898 0.794403 C\n0.396046 0.407102 0.705597 C\n0.103954 0.092898 0.205597 C\n0.396046 0.092898 0.705597 C\n0.103954 0.407102 0.205597 C\n0.603954 0.592898 0.294403 C\n0.896046 0.907102 0.794403 C\n0.230093 0.829517 0.095746 C\n0.269907 0.670483 0.595746 C\n0.769907 0.329517 0.904254 C\n0.730093 0.170483 0.404254 C\n0.769907 0.170483 0.904254 C\n0.730093 0.329517 0.404254 C\n0.230093 0.670483 0.095746 C\n0.269907 0.829517 0.595746 C\n0.212590 0.846307 0.239562 C\n0.287410 0.653693 0.739562 C\n0.787410 0.346307 0.760438 C\n0.712590 0.153693 0.260438 C\n0.787410 0.153693 0.760438 C\n0.712590 0.346307 0.260438 C\n0.212590 0.653693 0.239562 C\n0.287410 0.846307 0.739562 C\n0.235816 0.797317 0.311411 C\n0.264184 0.702683 0.811411 C\n0.764184 0.297317 0.688589 C\n0.735816 0.202683 0.188589 C\n0.764184 0.202683 0.688589 C\n0.735816 0.297317 0.188589 C\n0.235816 0.702683 0.311411 C\n0.264184 0.797317 0.811411 C\n0.190127 0.799127 0.170534 C\n0.309873 0.700873 0.670534 C\n0.809873 0.299127 0.829466 C\n0.690127 0.200873 0.329466 C\n0.809873 0.200873 0.829466 C\n0.690127 0.299127 0.329466 C\n0.190127 0.700873 0.170534 C\n0.309873 0.799127 0.670534 C\n0.562078 0.923180 0.080129 C\n0.937922 0.576820 0.580129 C\n0.437922 0.423180 0.919871 C\n0.062078 0.076820 0.419871 C\n0.437922 0.076820 0.919871 C\n0.062078 0.423180 0.419871 C\n0.562078 0.576820 0.080129 C\n0.937922 0.923180 0.580129 C\n0.949581 0.750000 0.092243 Cl\n0.550419 0.750000 0.592243 Cl\n0.050419 0.250000 0.907757 Cl\n0.449581 0.250000 0.407757 Cl\n0.911843 0.750000 0.272575 Cl\n0.588157 0.750000 0.772575 Cl\n0.088157 0.250000 0.727425 Cl\n0.411843 0.250000 0.227425 Cl\n0.831647 0.915940 0.027674 Cl\n0.668353 0.584060 0.527674 Cl\n0.168353 0.415940 0.972326 Cl\n0.331647 0.084060 0.472326 Cl\n0.168353 0.084060 0.972326 Cl\n0.331647 0.415940 0.472326 Cl\n0.831647 0.584060 0.027674 Cl\n0.668353 0.915940 0.527674 Cl\n",
            "nsites": 272,
            "nelements": 2,
            "elements": [
                "C",
                "Cl"
            ],
            "chemical_system": "C-Cl",
            "density": 1.8015062265447945,
            "density_atomic": 0.0810246491191675,
            "volume": 3357.003121358222,
            "volume_molar": 7.432479900212711,
            "formula_full": "C256 Cl16",
            "formula_reduced": "C16Cl",
            "formula_anonymous": "AB16",
            "energy": -2315.06746391,
            "energy_per_atom": -8.511277440845587,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2305.24346391,
            "band_gap": 1.3189000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.7e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:53.564000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1199781",
            "created_at": "2022-09-04T14:46:52.498335Z",
            "structure_string": "Si96 H96 O144\n1.0\n-14.976877 0.000000 0.000000\n0.000000 0.000000 -15.805424\n0.000000 -21.235838 0.000000\nSi H O\n96 96 144\ndirect\n0.398977 0.663990 0.519767 Si\n0.898977 0.336010 0.980233 Si\n0.601023 0.836010 0.019767 Si\n0.101023 0.163990 0.480233 Si\n0.601023 0.336010 0.480233 Si\n0.101023 0.663990 0.019767 Si\n0.398977 0.163990 0.980233 Si\n0.898977 0.836010 0.519767 Si\n0.356911 0.715742 0.768560 Si\n0.856911 0.284258 0.731440 Si\n0.643089 0.784258 0.268560 Si\n0.143089 0.215742 0.231440 Si\n0.643089 0.284258 0.231440 Si\n0.143089 0.715742 0.268560 Si\n0.356911 0.215742 0.731440 Si\n0.856911 0.784258 0.768560 Si\n0.400427 0.523084 0.743005 Si\n0.900427 0.476916 0.756995 Si\n0.599573 0.976916 0.243005 Si\n0.099573 0.023084 0.256995 Si\n0.599573 0.476916 0.256995 Si\n0.099573 0.523084 0.243005 Si\n0.400427 0.023084 0.756995 Si\n0.900427 0.976916 0.743005 Si\n0.452166 0.498172 0.598000 Si\n0.952166 0.501828 0.902000 Si\n0.547834 0.001828 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            "nsites": 336,
            "nelements": 3,
            "elements": [
                "Si",
                "H",
                "O"
            ],
            "chemical_system": "H-O-Si",
            "density": 1.6836701639352405,
            "density_atomic": 0.06684092630427883,
            "volume": 5026.860317142117,
            "volume_molar": 9.009660836514307,
            "formula_full": "Si96 H96 O144",
            "formula_reduced": "Si2H2O3",
            "formula_anonymous": "A2B2C3",
            "energy": -2274.0172393000003,
            "energy_per_atom": -6.76790845029762,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2157.9052393,
            "band_gap": 6.7783,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0007399,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:44.423000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1203403",
            "created_at": "2022-09-04T14:46:02.018746Z",
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0.547566 Cl\n0.575935 0.239429 0.952434 Cl\n0.924065 0.239429 0.452434 Cl\n0.424065 0.760571 0.047566 Cl\n0.367247 0.798353 0.467287 Cl\n0.867247 0.201647 0.032713 Cl\n0.632753 0.201647 0.532713 Cl\n0.132753 0.798353 0.967287 Cl\n0.231472 0.948508 0.468898 Cl\n0.731472 0.051492 0.031102 Cl\n0.768528 0.051492 0.531102 Cl\n0.268528 0.948508 0.968898 Cl\n0.961737 0.058701 0.374444 Cl\n0.461737 0.941299 0.125556 Cl\n0.038263 0.941299 0.625556 Cl\n0.538263 0.058701 0.874444 Cl\n0.960476 0.471385 0.365792 Cl\n0.460476 0.528615 0.134208 Cl\n0.039524 0.528615 0.634208 Cl\n0.539524 0.471385 0.865792 Cl\n0.115507 0.563782 0.463012 Cl\n0.615507 0.436218 0.036988 Cl\n0.884493 0.436218 0.536988 Cl\n0.384493 0.563782 0.963012 Cl\n0.377267 0.593365 0.372662 Cl\n0.877267 0.406635 0.127338 Cl\n0.622733 0.406635 0.627338 Cl\n0.122733 0.593365 0.872662 Cl\n",
            "nsites": 286,
            "nelements": 3,
            "elements": [
                "C",
                "S",
                "Cl"
            ],
            "chemical_system": "C-Cl-S",
            "density": 1.8476708138435418,
            "density_atomic": 0.0714647409156926,
            "volume": 4001.9735093896998,
            "volume_molar": 8.426729996970613,
            "formula_full": "C242 S4 Cl40",
            "formula_reduced": "C121(SCl10)2",
            "formula_anonymous": "A2B20C121",
            "energy": -2267.52016137,
            "energy_per_atom": -7.928392172622378,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2240.94816137,
            "band_gap": 1.572,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.5e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:20.617000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1204603",
            "created_at": "2022-09-04T14:45:27.007244Z",
            "structure_string": "Si40 Bi4 Te8 H292 C100\n1.0\n-9.861174 0.000000 0.130632\n0.028300 0.000000 -18.636809\n0.000000 -32.734584 0.000000\nSi Bi Te H C\n40 4 8 292 100\ndirect\n0.096815 0.386445 0.236488 Si\n0.596815 0.886445 0.263512 Si\n0.903185 0.613555 0.763512 Si\n0.403185 0.113555 0.736488 Si\n0.148604 0.511088 0.226080 Si\n0.648604 0.011088 0.273920 Si\n0.851396 0.488912 0.773920 Si\n0.351396 0.988912 0.726080 Si\n0.893335 0.353389 0.199917 Si\n0.393335 0.853389 0.300083 Si\n0.106665 0.646611 0.800083 Si\n0.606665 0.146611 0.699917 Si\n0.278438 0.308826 0.218993 Si\n0.778438 0.808826 0.281007 Si\n0.721562 0.691174 0.781007 Si\n0.221562 0.191174 0.718993 Si\n0.237064 0.197822 0.448814 Si\n0.737064 0.697822 0.051186 Si\n0.762936 0.802178 0.551186 Si\n0.262936 0.302178 0.948814 Si\n0.139360 0.124459 0.396035 Si\n0.639360 0.624459 0.103965 Si\n0.860640 0.875541 0.603965 Si\n0.360640 0.375541 0.896035 Si\n0.149592 0.169305 0.516279 Si\n0.649592 0.669305 0.983721 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C\n0.759681 0.422969 0.209196 C\n0.259681 0.922969 0.290804 C\n0.240319 0.577031 0.790804 C\n0.740319 0.077031 0.709196 C\n0.926517 0.348699 0.143036 C\n0.426517 0.848699 0.356964 C\n0.073483 0.651301 0.856964 C\n0.573483 0.151301 0.643036 C\n0.823209 0.263155 0.216429 C\n0.323209 0.763155 0.283571 C\n0.176791 0.736845 0.783571 C\n0.676791 0.236845 0.716429 C\n0.355308 0.343843 0.169881 C\n0.855308 0.843843 0.330119 C\n0.644692 0.656157 0.830119 C\n0.144692 0.156157 0.669881 C\n0.220095 0.213049 0.211033 C\n0.720095 0.713049 0.288967 C\n0.779905 0.786951 0.788967 C\n0.279905 0.286951 0.711033 C\n0.416659 0.308005 0.258817 C\n0.916659 0.808005 0.241183 C\n0.583341 0.691995 0.741183 C\n0.083341 0.191995 0.758817 C\n0.218366 0.143533 0.344541 C\n0.718366 0.643533 0.155459 C\n0.781634 0.856467 0.655459 C\n0.281634 0.356467 0.844541 C\n0.952215 0.140696 0.390530 C\n0.452215 0.640696 0.109470 C\n0.047785 0.859304 0.609470 C\n0.547785 0.359304 0.890530 C\n0.166520 0.026897 0.408889 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            "nsites": 444,
            "nelements": 5,
            "elements": [
                "Si",
                "Bi",
                "Te",
                "H",
                "C"
            ],
            "chemical_system": "Bi-C-H-Si-Te",
            "density": 1.2353650532105733,
            "density_atomic": 0.07380481634228052,
            "volume": 6015.867554508715,
            "volume_molar": 8.159549821344248,
            "formula_full": "Si40 Bi4 Te8 H292 C100",
            "formula_reduced": "Si10BiTe2H73C25",
            "formula_anonymous": "AB2C10D25E73",
            "energy": -2255.56984229,
            "energy_per_atom": -5.08011225740991,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2255.56984229,
            "band_gap": 1.9396,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.48e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:05.583000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1197409",
            "created_at": "2022-09-04T14:47:20.548105Z",
            "structure_string": "Ga8 Si24 H276 C110 S8\n1.0\n11.040693 6.374340 11.480218\n-11.040690 6.374348 11.480210\n0.000008 -12.748690 11.480215\nGa Si H C S\n8 24 276 110 8\ndirect\n0.291927 0.128062 0.267725 Ga\n0.128076 0.267724 0.291912 Ga\n0.267737 0.291913 0.128063 Ga\n0.708073 0.871938 0.732275 Ga\n0.871924 0.732276 0.708088 Ga\n0.732263 0.708087 0.871937 Ga\n0.309200 0.309184 0.309186 Ga\n0.690800 0.690816 0.690814 Ga\n0.450242 0.987158 0.271788 Si\n0.987161 0.271787 0.450240 Si\n0.271788 0.450241 0.987159 Si\n0.549758 0.012842 0.728212 Si\n0.012839 0.728213 0.549760 Si\n0.728212 0.549759 0.012841 Si\n0.294928 0.958118 0.392711 Si\n0.958120 0.392710 0.294927 Si\n0.392712 0.294928 0.958117 Si\n0.705072 0.041882 0.607289 Si\n0.041880 0.607290 0.705073 Si\n0.607288 0.705072 0.041883 Si\n0.299787 0.953873 0.209587 Si\n0.953875 0.209586 0.299786 Si\n0.209588 0.299786 0.953874 Si\n0.700213 0.046127 0.790413 Si\n0.046125 0.790414 0.700214 Si\n0.790412 0.700214 0.046126 Si\n0.419264 0.451022 0.295839 Si\n0.451027 0.295839 0.419261 Si\n0.295844 0.419258 0.451020 Si\n0.580736 0.548978 0.704161 Si\n0.548973 0.704161 0.580739 Si\n0.704156 0.580742 0.548980 Si\n0.479202 0.965269 0.126908 H\n0.965269 0.126908 0.479202 H\n0.126908 0.479202 0.965269 H\n0.520798 0.034731 0.873092 H\n0.034731 0.873092 0.520798 H\n0.873092 0.520798 0.034731 H\n0.484393 0.065786 0.137026 H\n0.065786 0.137025 0.484393 H\n0.137026 0.484393 0.065786 H\n0.515607 0.934214 0.862974 H\n0.934214 0.862975 0.515607 H\n0.862974 0.515607 0.934214 H\n0.562619 0.987895 0.162104 H\n0.987895 0.162104 0.562619 H\n0.162104 0.562619 0.987895 H\n0.437381 0.012105 0.837896 H\n0.012105 0.837896 0.437381 H\n0.837896 0.437381 0.012105 H\n0.476134 0.048278 0.386772 H\n0.048278 0.386771 0.476133 H\n0.386771 0.476134 0.048277 H\n0.523866 0.951722 0.613228 H\n0.951722 0.613229 0.523867 H\n0.613229 0.523866 0.951723 H\n0.560744 0.035339 0.312116 H\n0.035339 0.312116 0.560744 H\n0.312116 0.560744 0.035339 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H\n0.970989 0.371374 0.867163 H\n0.371371 0.867162 0.970988 H\n0.867163 0.970989 0.371374 H\n0.188348 0.643578 0.138570 H\n0.643578 0.138571 0.188348 H\n0.138570 0.188348 0.643578 H\n0.811652 0.356422 0.861430 H\n0.356422 0.861429 0.811652 H\n0.861430 0.811652 0.356422 H\n0.132810 0.581326 0.210986 H\n0.581325 0.210987 0.132810 H\n0.210986 0.132810 0.581326 H\n0.867190 0.418674 0.789014 H\n0.418675 0.789013 0.867190 H\n0.789014 0.867190 0.418674 H\n0.143369 0.660262 0.305091 H\n0.660262 0.305092 0.143369 H\n0.305091 0.143369 0.660262 H\n0.856631 0.339738 0.694909 H\n0.339738 0.694908 0.856631 H\n0.694909 0.856631 0.339738 H\n0.186569 0.730679 0.231403 H\n0.730678 0.231403 0.186569 H\n0.231403 0.186569 0.730679 H\n0.813431 0.269321 0.768597 H\n0.269322 0.768597 0.813431 H\n0.768597 0.813431 0.269321 H\n0.066345 0.817701 0.233410 H\n0.817705 0.233408 0.066347 H\n0.233409 0.066345 0.817701 H\n0.933655 0.182299 0.766590 H\n0.182295 0.766592 0.933653 H\n0.766591 0.933655 0.182299 H\n0.025072 0.753567 0.315082 H\n0.753568 0.315081 0.025073 H\n0.315082 0.025072 0.753567 H\n0.974928 0.246433 0.684918 H\n0.246432 0.684919 0.974927 H\n0.684918 0.974928 0.246433 H\n0.955765 0.698610 0.236269 H\n0.698610 0.236270 0.955764 H\n0.236269 0.955764 0.698611 H\n0.044235 0.301390 0.763731 H\n0.301390 0.763730 0.044236 H\n0.763731 0.044236 0.301389 H\n0.971000 0.783706 0.165195 H\n0.783705 0.165196 0.971000 H\n0.165195 0.971000 0.783706 H\n0.029000 0.216294 0.834805 H\n0.216295 0.834804 0.029000 H\n0.834805 0.029000 0.216294 H\n0.334706 0.005871 0.286090 C\n0.005878 0.286089 0.334702 C\n0.286092 0.334703 0.005874 C\n0.665294 0.994129 0.713910 C\n0.994122 0.713911 0.665298 C\n0.713908 0.665297 0.994126 C\n0.497350 0.003073 0.163920 C\n0.003073 0.163920 0.497351 C\n0.163920 0.497350 0.003073 C\n0.502650 0.996927 0.836080 C\n0.996927 0.836080 0.502649 C\n0.836080 0.502650 0.996927 C\n0.495445 0.053762 0.322154 C\n0.053763 0.322153 0.495445 C\n0.322153 0.495446 0.053762 C\n0.504555 0.946238 0.677846 C\n0.946237 0.677847 0.504555 C\n0.677847 0.504554 0.946238 C\n0.494162 0.882051 0.312714 C\n0.882053 0.312714 0.494160 C\n0.312714 0.494161 0.882052 C\n0.505838 0.117949 0.687286 C\n0.117947 0.687286 0.505840 C\n0.687286 0.505839 0.117948 C\n0.348543 0.978209 0.472778 C\n0.978208 0.472778 0.348543 C\n0.472778 0.348543 0.978208 C\n0.651457 0.021791 0.527222 C\n0.021792 0.527222 0.651457 C\n0.527222 0.651457 0.021792 C\n0.186419 0.994486 0.424837 C\n0.994486 0.424838 0.186418 C\n0.424837 0.186419 0.994485 C\n0.813581 0.005514 0.575163 C\n0.005514 0.575162 0.813582 C\n0.575163 0.813581 0.005515 C\n0.301811 0.845256 0.405655 C\n0.845257 0.405654 0.301810 C\n0.405656 0.301810 0.845255 C\n0.698189 0.154744 0.594345 C\n0.154743 0.594346 0.698190 C\n0.594344 0.698190 0.154745 C\n0.311898 0.010627 0.105532 C\n0.010629 0.105532 0.311897 C\n0.105534 0.311897 0.010629 C\n0.688102 0.989373 0.894468 C\n0.989371 0.894468 0.688103 C\n0.894466 0.688103 0.989371 C\n0.191179 0.940495 0.234158 C\n0.940495 0.234157 0.191178 C\n0.234158 0.191178 0.940495 C\n0.808821 0.059505 0.765842 C\n0.059505 0.765843 0.808822 C\n0.765842 0.808822 0.059505 C\n0.355239 0.849911 0.197829 C\n0.849913 0.197829 0.355239 C\n0.197828 0.355240 0.849912 C\n0.644761 0.150089 0.802171 C\n0.150087 0.802171 0.644761 C\n0.802172 0.644760 0.150088 C\n0.369608 0.369599 0.369600 C\n0.630392 0.630401 0.630400 C\n0.346483 0.542787 0.267288 C\n0.542793 0.267286 0.346480 C\n0.267288 0.346481 0.542788 C\n0.653517 0.457213 0.732712 C\n0.457207 0.732714 0.653520 C\n0.732712 0.653519 0.457212 C\n0.469426 0.413892 0.200171 C\n0.413893 0.200172 0.469424 C\n0.200175 0.469423 0.413891 C\n0.530574 0.586108 0.799829 C\n0.586107 0.799828 0.530576 C\n0.799825 0.530577 0.586109 C\n0.500747 0.489464 0.333800 C\n0.489466 0.333801 0.500745 C\n0.333802 0.500744 0.489462 C\n0.499253 0.510536 0.666200 C\n0.510534 0.666199 0.499255 C\n0.666198 0.499256 0.510538 C\n0.058458 0.677100 0.143335 C\n0.677097 0.143337 0.058456 C\n0.143335 0.058458 0.677100 C\n0.941542 0.322900 0.856665 C\n0.322903 0.856663 0.941544 C\n0.856665 0.941542 0.322900 C\n0.134057 0.644061 0.183147 C\n0.644062 0.183145 0.134058 C\n0.183147 0.134057 0.644061 C\n0.865943 0.355939 0.816853 C\n0.355938 0.816855 0.865942 C\n0.816853 0.865943 0.355939 C\n0.135432 0.697307 0.247142 C\n0.697309 0.247141 0.135432 C\n0.247142 0.135431 0.697308 C\n0.864568 0.302693 0.752858 C\n0.302691 0.752859 0.864568 C\n0.752858 0.864569 0.302692 C\n0.055359 0.755419 0.253054 C\n0.755416 0.253056 0.055358 C\n0.253054 0.055358 0.755419 C\n0.944641 0.244581 0.746946 C\n0.244584 0.746944 0.944642 C\n0.746946 0.944642 0.244581 C\n0.002647 0.731177 0.199260 C\n0.731183 0.199256 0.002648 C\n0.199259 0.002647 0.731177 C\n0.997353 0.268823 0.800740 C\n0.268817 0.800744 0.997352 C\n0.800741 0.997353 0.268823 C\n0.187001 0.186990 0.186989 S\n0.812999 0.813010 0.813011 S\n0.229923 0.205273 0.375127 S\n0.205290 0.375126 0.229906 S\n0.375140 0.229907 0.205273 S\n0.770077 0.794727 0.624873 S\n0.794710 0.624874 0.770094 S\n0.624860 0.770093 0.794727 S\n",
            "nsites": 426,
            "nelements": 5,
            "elements": [
                "Ga",
                "Si",
                "H",
                "C",
                "S"
            ],
            "chemical_system": "C-Ga-H-S-Si",
            "density": 1.0576806732473845,
            "density_atomic": 0.08787726561304585,
            "volume": 4847.670179860012,
            "volume_molar": 6.8528995730449545,
            "formula_full": "Ga8 Si24 H276 C110 S8",
            "formula_reduced": "Ga4Si12H138C55S4",
            "formula_anonymous": "A4B4C12D55E138",
            "energy": -2227.69903371,
            "energy_per_atom": -5.22934045471831,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2223.67503371,
            "band_gap": 3.7169,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:06.230000Z",
            "spacegroup": 148
        }
    ]
}