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{
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{
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Br\n0.339602 0.764972 0.448738 Br\n0.334749 0.766448 0.948937 Br\n0.325414 0.771211 0.800895 Br\n0.325393 0.771303 0.301055 Br\n0.301378 0.140112 0.566412 Br\n0.304368 0.140616 0.065965 Br\n0.302633 0.138968 0.689003 Br\n0.303069 0.139647 0.188945 Br\n0.259712 0.444927 0.543137 Br\n0.259526 0.445382 0.043256 Br\n0.256516 0.441625 0.711848 Br\n0.256325 0.441674 0.211649 Br\n0.243265 0.058302 0.461862 Br\n0.238748 0.051192 0.962238 Br\n0.239274 0.055480 0.792504 Br\n0.240230 0.055283 0.293059 Br\n0.192782 0.362961 0.938939 Br\n0.197167 0.360476 0.439033 Br\n0.198332 0.359935 0.816193 Br\n0.198675 0.360135 0.316314 Br\n0.174748 0.728822 0.551037 Br\n0.180272 0.729751 0.052435 Br\n0.160888 0.734956 0.698548 Br\n0.160393 0.734976 0.198723 Br\n0.092397 0.903016 0.878209 Br\n0.089981 0.900757 0.381627 Br\n0.091705 0.287536 0.625735 Br\n0.092292 0.286687 0.125593 Br\n0.065918 0.626519 0.811435 Br\n0.066895 0.625903 0.311824 Br\n0.057278 0.614169 0.934922 Br\n0.054991 0.612941 0.435514 Br\n0.039143 0.015699 0.697014 Br\n0.039873 0.015170 0.197380 Br\n0.037101 0.999975 0.549661 Br\n0.040866 0.007343 0.053526 Br\n",
"nsites": 160,
"nelements": 2,
"elements": [
"In",
"Br"
],
"chemical_system": "Br-In",
"density": 4.2742437792828385,
"density_atomic": 0.027421122163395664,
"volume": 5834.918025841528,
"volume_molar": 21.961686046674373,
"formula_full": "In64 Br96",
"formula_reduced": "In2Br3",
"formula_anonymous": "A2B3",
"energy": -504.59267641,
"energy_per_atom": -3.1537042275625002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -453.32867641,
"band_gap": 2.3003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.013000Z",
"spacegroup": 4
},
{
"id": "mp-1247602",
"created_at": "2022-09-04T14:43:18.400453Z",
"structure_string": "Sr4 Ca28 Ti4 Mn28 O96\n1.0\n10.869111 0.000943 -0.002231\n0.001321 15.237402 -0.000925\n-0.002205 -0.000652 10.736634\nSr Ca Ti Mn O\n4 28 4 28 96\ndirect\n0.015410 0.124662 0.498199 Sr\n0.485280 0.376611 0.001797 Sr\n0.234452 0.377227 0.247301 Sr\n0.268157 0.124485 0.254892 Sr\n0.017947 0.124672 0.994386 Ca\n0.022952 0.625167 0.495614 Ca\n0.022758 0.625198 0.996210 Ca\n0.523175 0.124801 0.495837 Ca\n0.523899 0.124931 0.994890 Ca\n0.522923 0.625243 0.495267 Ca\n0.522782 0.625137 0.995768 Ca\n0.478438 0.374918 0.506288 Ca\n0.478862 0.873242 0.004119 Ca\n0.477746 0.875012 0.505502 Ca\n0.977415 0.375962 0.003596 Ca\n0.976566 0.375884 0.504802 Ca\n0.976809 0.873946 0.003815 Ca\n0.977109 0.874077 0.504360 Ca\n0.227047 0.375839 0.743677 Ca\n0.228612 0.872544 0.246099 Ca\n0.227261 0.874100 0.744739 Ca\n0.728845 0.375078 0.247036 Ca\n0.727656 0.374687 0.744708 Ca\n0.727511 0.874920 0.246013 Ca\n0.727314 0.875269 0.744864 Ca\n0.273618 0.124519 0.753862 Ca\n0.272770 0.625352 0.253540 Ca\n0.273359 0.625436 0.754426 Ca\n0.766344 0.124799 0.252948 Ca\n0.772270 0.125052 0.756062 Ca\n0.772648 0.625117 0.254410 Ca\n0.772539 0.624948 0.754811 Ca\n0.996974 0.997034 0.249543 Ti\n0.250472 0.997778 0.997690 Ti\n0.249168 0.250296 0.996603 Ti\n0.995898 0.252267 0.249896 Ti\n0.000055 0.999403 0.750604 Mn\n0.999443 0.502008 0.250855 Mn\n0.999643 0.500376 0.749733 Mn\n0.501184 0.998412 0.251569 Mn\n0.501739 0.000141 0.749827 Mn\n0.502025 0.502183 0.250897 Mn\n0.500485 0.500993 0.747940 Mn\n0.252228 0.998679 0.501725 Mn\n0.249408 0.502474 0.997021 Mn\n0.250125 0.501133 0.502327 Mn\n0.748413 0.998626 0.999483 Mn\n0.748105 0.999302 0.501257 Mn\n0.751939 0.501338 0.000865 Mn\n0.749916 0.500563 0.500448 Mn\n0.251647 0.250370 0.503395 Mn\n0.250243 0.748825 0.998390 Mn\n0.250577 0.749835 0.500377 Mn\n0.749946 0.250128 0.000011 Mn\n0.748043 0.250260 0.501518 Mn\n0.750289 0.750029 0.000129 Mn\n0.749827 0.749780 0.500110 Mn\n0.999845 0.250338 0.750493 Mn\n0.000432 0.748592 0.250676 Mn\n0.999740 0.749842 0.749885 Mn\n0.502500 0.249329 0.251940 Mn\n0.501406 0.248674 0.747958 Mn\n0.500287 0.750181 0.250443 Mn\n0.500656 0.750033 0.749929 Mn\n0.105242 0.266621 0.105095 O\n0.104514 0.271286 0.605992 O\n0.104654 0.770631 0.103281 O\n0.104027 0.770347 0.603009 O\n0.608987 0.266380 0.107353 O\n0.604088 0.269701 0.601973 O\n0.604249 0.770260 0.103282 O\n0.604007 0.770337 0.603017 O\n0.398361 0.232375 0.398723 O\n0.395498 0.230481 0.889209 O\n0.395964 0.729468 0.397013 O\n0.396562 0.729036 0.896648 O\n0.885843 0.235223 0.391763 O\n0.895717 0.230975 0.897748 O\n0.896052 0.728977 0.397322 O\n0.896148 0.729689 0.897093 O\n0.140839 0.237065 0.362122 O\n0.142775 0.231605 0.851780 O\n0.146549 0.729156 0.353124 O\n0.146036 0.729111 0.852554 O\n0.646013 0.229583 0.354737 O\n0.645835 0.230099 0.853187 O\n0.646221 0.729425 0.353105 O\n0.645984 0.729401 0.853021 O\n0.361750 0.263349 0.141260 O\n0.353850 0.269451 0.648536 O\n0.354887 0.770312 0.146389 O\n0.354159 0.770302 0.647097 O\n0.853695 0.269097 0.141666 O\n0.854546 0.270016 0.646314 O\n0.853748 0.770617 0.146688 O\n0.854022 0.770555 0.647090 O\n0.358088 0.487040 0.142693 O\n0.353880 0.481139 0.647522 O\n0.358146 0.980013 0.145568 O\n0.354090 0.979080 0.648200 O\n0.854334 0.479851 0.146434 O\n0.854013 0.479511 0.647053 O\n0.852984 0.980356 0.142046 O\n0.854499 0.979918 0.646313 O\n0.142184 0.011797 0.360496 O\n0.142941 0.017529 0.852500 O\n0.144618 0.522284 0.355114 O\n0.145587 0.521654 0.851737 O\n0.645870 0.019895 0.353609 O\n0.646631 0.020580 0.852364 O\n0.646320 0.521079 0.354330 O\n0.645109 0.519903 0.853928 O\n0.398992 0.018097 0.399213 O\n0.396757 0.018331 0.892080 O\n0.395307 0.520010 0.396717 O\n0.394764 0.522607 0.893594 O\n0.886274 0.014018 0.391652 O\n0.895660 0.018839 0.897829 O\n0.895372 0.521649 0.397569 O\n0.896121 0.520494 0.896974 O\n0.102164 0.482204 0.101768 O\n0.103378 0.480070 0.603682 O\n0.106742 0.981123 0.105928 O\n0.105177 0.978231 0.605312 O\n0.610074 0.484608 0.108775 O\n0.604380 0.480719 0.601990 O\n0.603258 0.978870 0.102008 O\n0.603671 0.979185 0.603005 O\n0.001109 0.378717 0.285127 O\n0.009884 0.375457 0.789260 O\n0.007343 0.871205 0.285161 O\n0.010156 0.874509 0.789555 O\n0.509620 0.375623 0.287707 O\n0.510670 0.375146 0.779009 O\n0.511240 0.874422 0.290373 O\n0.510522 0.874880 0.789635 O\n0.498137 0.123648 0.212055 O\n0.490865 0.124508 0.709361 O\n0.490446 0.626499 0.211652 O\n0.490302 0.625429 0.709538 O\n0.993020 0.124598 0.217829 O\n0.988026 0.124916 0.720185 O\n0.988991 0.625373 0.209980 O\n0.989362 0.625068 0.710340 O\n0.240406 0.124196 0.025246 O\n0.247189 0.124683 0.538373 O\n0.238928 0.625991 0.039223 O\n0.240042 0.625352 0.540243 O\n0.741247 0.124204 0.038398 O\n0.740780 0.124788 0.540336 O\n0.740541 0.625842 0.039030 O\n0.739708 0.625187 0.539918 O\n0.261259 0.375879 0.471095 O\n0.252715 0.377881 0.964686 O\n0.261241 0.874069 0.461072 O\n0.258674 0.872275 0.962948 O\n0.759321 0.375913 0.461948 O\n0.757806 0.375469 0.961017 O\n0.759559 0.874028 0.461369 O\n0.759526 0.874540 0.959787 O\n",
"nsites": 160,
"nelements": 5,
"elements": [
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"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.424887277266685,
"density_atomic": 0.08998019036918718,
"volume": 1778.169165274298,
"volume_molar": 6.692740630233454,
"formula_full": "Sr4 Ca28 Ti4 Mn28 O96",
"formula_reduced": "SrCa7TiMn7O24",
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"energy": -1244.23106492,
"energy_per_atom": -7.776444155750001,
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"updated_at": "2021-11-28T01:36:05.420000Z",
"spacegroup": 1
},
{
"id": "mp-1197341",
"created_at": "2022-09-04T14:43:18.016388Z",
"structure_string": "Si12 As4 H108 C36\n1.0\n16.297893 0.000000 0.000000\n0.000000 10.608817 0.000000\n0.000000 5.620563 12.074678\nSi As H C\n12 4 108 36\ndirect\n0.658813 0.409501 0.899097 Si\n0.841187 0.409501 0.399097 Si\n0.341187 0.590499 0.100903 Si\n0.158813 0.590499 0.600903 Si\n0.883699 0.289609 0.937025 Si\n0.616301 0.289609 0.437025 Si\n0.116301 0.710391 0.062975 Si\n0.383699 0.710391 0.562975 Si\n0.707918 0.019203 0.026334 Si\n0.792082 0.019203 0.526334 Si\n0.292082 0.980797 0.973666 Si\n0.207918 0.980797 0.473666 Si\n0.750804 0.237899 0.023760 As\n0.749196 0.237899 0.523760 As\n0.249196 0.762101 0.976240 As\n0.250804 0.762101 0.476240 As\n0.507248 0.423495 0.882352 H\n0.992752 0.423495 0.382352 H\n0.492752 0.576505 0.117648 H\n0.007248 0.576505 0.617648 H\n0.539614 0.247010 0.936963 H\n0.960386 0.247010 0.436963 H\n0.460386 0.752990 0.063037 H\n0.039614 0.752990 0.563037 H\n0.536458 0.336870 0.024042 H\n0.963542 0.336870 0.524042 H\n0.463542 0.663130 0.975958 H\n0.036458 0.663130 0.475958 H\n0.630483 0.655078 0.861929 H\n0.869517 0.655078 0.361929 H\n0.369517 0.344922 0.138071 H\n0.130483 0.344922 0.638071 H\n0.655522 0.558522 0.004075 H\n0.844478 0.558522 0.504075 H\n0.344478 0.441478 0.995925 H\n0.155522 0.441478 0.495925 H\n0.734625 0.613991 0.902382 H\n0.765375 0.613991 0.402382 H\n0.265375 0.386009 0.097618 H\n0.234625 0.386009 0.597618 H\n0.964029 0.507089 0.846027 H\n0.535971 0.507089 0.346027 H\n0.035971 0.492911 0.153973 H\n0.464029 0.492911 0.653973 H\n0.857400 0.544070 0.827746 H\n0.642600 0.544070 0.327746 H\n0.142600 0.455930 0.172254 H\n0.357400 0.455930 0.672254 H\n0.905194 0.511605 0.957018 H\n0.594806 0.511605 0.457018 H\n0.094806 0.488395 0.042982 H\n0.405194 0.488395 0.542982 H\n0.603453 0.847581 0.139088 H\n0.896547 0.847581 0.639088 H\n0.396547 0.152419 0.860912 H\n0.103453 0.152419 0.360912 H\n0.648582 0.928901 0.218265 H\n0.851418 0.928901 0.718265 H\n0.351418 0.071099 0.781735 H\n0.148582 0.071099 0.281735 H\n0.572623 0.018091 0.117418 H\n0.927377 0.018091 0.617418 H\n0.427377 0.981909 0.882582 H\n0.072623 0.981909 0.382582 H\n0.023619 0.214784 0.011039 H\n0.476381 0.214784 0.511039 H\n0.976381 0.785216 0.988961 H\n0.523619 0.785216 0.488961 H\n0.960964 0.229570 0.114846 H\n0.539036 0.229570 0.614846 H\n0.039036 0.770430 0.885154 H\n0.460964 0.770430 0.385154 H\n0.951605 0.081770 0.085007 H\n0.548395 0.081770 0.585007 H\n0.048395 0.918230 0.914993 H\n0.451605 0.918230 0.414993 H\n0.780157 0.794863 0.074777 H\n0.719843 0.794863 0.574777 H\n0.219843 0.205137 0.925223 H\n0.280157 0.205137 0.425223 H\n0.850385 0.935936 0.019000 H\n0.649615 0.935936 0.519000 H\n0.149615 0.064064 0.981000 H\n0.350385 0.064064 0.481000 H\n0.815662 0.877491 0.158668 H\n0.684338 0.877491 0.658668 H\n0.184338 0.122509 0.841332 H\n0.315662 0.122509 0.341332 H\n0.962252 0.269975 0.782873 H\n0.537748 0.269975 0.282873 H\n0.037748 0.730025 0.217127 H\n0.462252 0.730025 0.717127 H\n0.892662 0.129112 0.844112 H\n0.607338 0.129112 0.344112 H\n0.107338 0.870888 0.155888 H\n0.392662 0.870888 0.655888 H\n0.855603 0.294331 0.750443 H\n0.644397 0.294331 0.250443 H\n0.144397 0.705669 0.249557 H\n0.355603 0.705669 0.749557 H\n0.629305 0.529272 0.695340 H\n0.870695 0.529272 0.195340 H\n0.370695 0.470728 0.304660 H\n0.129305 0.470728 0.804660 H\n0.735532 0.492028 0.721139 H\n0.764468 0.492028 0.221139 H\n0.264468 0.507972 0.278861 H\n0.235532 0.507972 0.778861 H\n0.666650 0.356975 0.733197 H\n0.833350 0.356975 0.233197 H\n0.333350 0.643025 0.266803 H\n0.166650 0.643025 0.766803 H\n0.649809 0.920146 0.901019 H\n0.850191 0.920146 0.401019 H\n0.350191 0.079854 0.098981 H\n0.149809 0.079854 0.598981 H\n0.612569 0.091143 0.865394 H\n0.887431 0.091143 0.365394 H\n0.387431 0.908857 0.134606 H\n0.112569 0.908857 0.634606 H\n0.713038 0.066925 0.825133 H\n0.786962 0.066925 0.325133 H\n0.286962 0.933075 0.174867 H\n0.213038 0.933075 0.674867 H\n0.550369 0.347651 0.940249 C\n0.949631 0.347651 0.440249 C\n0.449631 0.652349 0.059751 C\n0.050369 0.652349 0.559751 C\n0.671585 0.574352 0.919429 C\n0.828415 0.574352 0.419429 C\n0.328415 0.425648 0.080571 C\n0.171585 0.425648 0.580571 C\n0.903917 0.481512 0.887577 C\n0.596083 0.481512 0.387577 C\n0.096083 0.518488 0.112423 C\n0.403917 0.518488 0.612423 C\n0.625449 0.947696 0.135649 C\n0.874551 0.947696 0.635649 C\n0.374551 0.052304 0.864351 C\n0.125449 0.052304 0.364351 C\n0.961824 0.194743 0.048026 C\n0.538176 0.194743 0.548026 C\n0.038176 0.805257 0.951974 C\n0.461824 0.805257 0.451974 C\n0.797483 0.895638 0.074217 C\n0.702517 0.895638 0.574217 C\n0.202517 0.104362 0.925783 C\n0.297483 0.104362 0.425783 C\n0.899897 0.241785 0.817165 C\n0.600103 0.241785 0.317165 C\n0.100103 0.758215 0.182835 C\n0.399897 0.758215 0.682835 C\n0.673732 0.451016 0.748007 C\n0.826268 0.451016 0.248007 C\n0.326268 0.548984 0.251993 C\n0.173732 0.548984 0.751993 C\n0.667390 0.025138 0.891697 C\n0.832610 0.025138 0.391697 C\n0.332610 0.974862 0.108303 C\n0.167390 0.974862 0.608303 C\n",
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"elements": [
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],
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"density": 0.9369229202395986,
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0.874538 Ca\n0.956671 0.433798 0.874549 Ca\n0.690053 0.722004 0.304140 Ca\n0.306399 0.597045 0.059651 Ca\n0.807605 0.905004 0.443575 Ca\n0.308524 0.776521 0.693415 Ca\n0.913677 0.101861 0.125799 Si\n0.586102 0.524237 0.623710 Si\n0.086323 0.898139 0.874201 Si\n0.217656 0.393105 0.878439 Si\n0.217874 0.981571 0.872075 Si\n0.782344 0.606895 0.121561 Si\n0.282126 0.981571 0.372075 Si\n0.782126 0.018429 0.127925 Si\n0.413898 0.475763 0.376290 Si\n0.586323 0.101861 0.625799 Si\n0.717656 0.606895 0.621561 Si\n0.717874 0.018429 0.627925 Si\n0.282344 0.393105 0.378439 Si\n0.913898 0.524237 0.123710 Si\n0.413677 0.898139 0.374201 Si\n0.086102 0.475763 0.876290 Si\n0.853482 0.889901 0.963083 H\n0.652327 0.400181 0.453745 H\n0.646518 0.889901 0.463083 H\n0.152327 0.599819 0.046255 H\n0.847673 0.400181 0.953745 H\n0.647564 0.735384 0.786470 H\n0.147564 0.264616 0.713530 H\n0.347673 0.599819 0.546255 H\n0.352436 0.264616 0.213530 H\n0.353482 0.110099 0.536917 H\n0.652571 0.225732 0.794146 H\n0.152571 0.774268 0.705854 H\n0.852436 0.735384 0.286470 H\n0.146518 0.110099 0.036917 H\n0.347429 0.774268 0.205854 H\n0.847429 0.225732 0.294146 H\n0.080996 0.686387 0.376696 C\n0.578886 0.812892 0.123764 C\n0.421114 0.187108 0.876236 C\n0.580996 0.313613 0.123304 C\n0.921114 0.812892 0.623764 C\n0.919004 0.313613 0.623304 C\n0.078886 0.187108 0.376236 C\n0.419004 0.686387 0.876696 C\n0.050887 0.239157 0.274242 O\n0.355930 0.309951 0.125145 O\n0.133183 0.184591 0.378364 O\n0.949113 0.760843 0.725758 O\n0.352257 0.375858 0.375935 O\n0.758331 0.463997 0.246678 O\n0.757659 0.026185 0.256113 O\n0.759598 0.160777 0.001081 O\n0.647974 0.999663 0.630954 O\n0.143296 0.064255 0.125297 O\n0.048863 0.374962 0.996461 O\n0.741669 0.463997 0.746678 O\n0.396532 0.688182 0.372539 O\n0.451137 0.374962 0.496461 O\n0.240402 0.839223 0.998919 O\n0.364685 0.685698 0.879077 O\n0.144070 0.309951 0.625145 O\n0.642599 0.181767 0.880200 O\n0.742341 0.026185 0.756113 O\n0.852026 0.999663 0.130954 O\n0.856704 0.935745 0.874703 O\n0.759581 0.600398 0.991757 O\n0.896532 0.311818 0.127461 O\n0.547918 0.507841 0.743402 O\n0.366817 0.184591 0.878364 O\n0.242341 0.973815 0.743887 O\n0.949063 0.364696 0.522842 O\n0.952969 0.001162 0.243754 O\n0.449602 0.880239 0.495907 O\n0.550398 0.119761 0.504093 O\n0.741802 0.812606 0.624585 O\n0.553022 0.261916 0.225561 O\n0.047031 0.998838 0.756246 O\n0.449113 0.239157 0.774242 O\n0.357401 0.818233 0.119800 O\n0.047918 0.492159 0.756598 O\n0.950785 0.863065 0.522789 O\n0.857401 0.181767 0.380200 O\n0.952082 0.507841 0.243402 O\n0.740419 0.600398 0.491757 O\n0.449063 0.635304 0.977158 O\n0.356704 0.064255 0.625297 O\n0.858517 0.443690 0.868213 O\n0.446978 0.738084 0.774439 O\n0.949602 0.119761 0.004093 O\n0.643296 0.935745 0.374703 O\n0.550887 0.760843 0.225758 O\n0.241669 0.536003 0.753322 O\n0.050937 0.635304 0.477158 O\n0.450785 0.136935 0.977211 O\n0.049215 0.136935 0.477211 O\n0.852257 0.624142 0.124065 O\n0.855930 0.690049 0.374855 O\n0.740402 0.160777 0.501081 O\n0.547031 0.001162 0.743754 O\n0.641483 0.443690 0.368213 O\n0.603468 0.311818 0.627461 O\n0.866817 0.815409 0.621636 O\n0.258198 0.187394 0.375415 O\n0.147974 0.000337 0.869046 O\n0.259598 0.839223 0.498919 O\n0.241802 0.187394 0.875415 O\n0.142599 0.818233 0.619800 O\n0.549215 0.863065 0.022789 O\n0.452082 0.492159 0.256598 O\n0.647743 0.624142 0.624065 O\n0.259581 0.399602 0.508243 O\n0.258331 0.536003 0.253322 O\n0.548863 0.625038 0.503539 O\n0.141483 0.556310 0.131787 O\n0.946978 0.261916 0.725561 O\n0.452969 0.998838 0.256246 O\n0.050398 0.880239 0.995907 O\n0.240419 0.399602 0.008243 O\n0.103468 0.688182 0.872539 O\n0.053022 0.738084 0.274439 O\n0.758198 0.812606 0.124585 O\n0.644070 0.690049 0.874855 O\n0.352026 0.000337 0.369046 O\n0.135315 0.685698 0.379077 O\n0.147743 0.375858 0.875935 O\n0.635315 0.314302 0.120923 O\n0.358517 0.556310 0.631787 O\n0.951137 0.625038 0.003539 O\n0.633183 0.815409 0.121636 O\n0.550937 0.364696 0.022842 O\n0.257659 0.973815 0.243887 O\n0.864685 0.314302 0.620923 O\n",
"nsites": 160,
"nelements": 5,
"elements": [
"Ca",
"Si",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O-Si",
"density": 2.7121266021870554,
"density_atomic": 0.08035763065232751,
"volume": 1991.0990244629081,
"volume_molar": 7.494174120258948,
"formula_full": "Ca32 Si16 H16 C8 O88",
"formula_reduced": "Ca4Si2H2CO11",
"formula_anonymous": "AB2C2D4E11",
"energy": -1184.7718427,
"energy_per_atom": -7.404824016875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1124.3158427,
"band_gap": 4.6256,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.644000Z",
"spacegroup": 14
}
]
}