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{
"id": "mp-1268079",
"created_at": "2022-09-04T14:47:01.161454Z",
"structure_string": "Si64 O128\n1.0\n12.958825 -0.000160 -2.882079\n-0.000290 22.011220 -0.000087\n0.014597 -0.000056 13.937509\nSi O\n64 128\ndirect\n0.573327 0.168982 0.190891 Si\n0.891624 0.668971 0.282142 Si\n0.391630 0.837723 0.782130 Si\n0.073315 0.337722 0.690875 Si\n0.617490 0.170137 0.425360 Si\n0.847459 0.670123 0.047666 Si\n0.347463 0.836561 0.547667 Si\n0.117481 0.336576 0.925354 Si\n0.681280 0.574501 0.946987 Si\n0.783646 0.074505 0.526046 Si\n0.283642 0.432198 0.026047 Si\n0.181298 0.932192 0.446989 Si\n0.647957 0.497200 0.118140 Si\n0.816936 0.997197 0.354907 Si\n0.316938 0.509495 0.854910 Si\n0.147961 0.009497 0.618134 Si\n0.644533 0.304629 0.204537 Si\n0.820410 0.804616 0.268496 Si\n0.320415 0.702079 0.768516 Si\n0.144528 0.202073 0.704554 Si\n0.670570 0.309456 0.432897 Si\n0.794343 0.809439 0.040134 Si\n0.294358 0.697241 0.540154 Si\n0.170571 0.197255 0.932919 Si\n0.484976 0.409348 0.181747 Si\n0.979936 0.909360 0.291276 Si\n0.479935 0.597337 0.791280 Si\n0.984978 0.097344 0.681748 Si\n0.447589 0.100295 0.507016 Si\n0.017324 0.600282 0.965978 Si\n0.517318 0.906419 0.465977 Si\n0.947593 0.406420 0.007031 Si\n0.754214 0.555601 0.317016 Si\n0.710738 0.055615 0.156043 Si\n0.210741 0.451088 0.656036 Si\n0.254226 0.951096 0.817011 Si\n0.356087 0.002651 0.363700 Si\n0.108838 0.502656 0.109317 Si\n0.608827 0.004061 0.609307 Si\n0.856079 0.504053 0.863702 Si\n0.129278 0.503401 0.341124 Si\n0.335662 0.003402 0.131916 Si\n0.835677 0.503311 0.631915 Si\n0.629262 0.003289 0.841111 Si\n0.806621 0.388139 0.148813 Si\n0.658308 0.888116 0.324233 Si\n0.158323 0.618584 0.824231 Si\n0.306615 0.118571 0.648807 Si\n0.517282 0.418474 0.414982 Si\n0.947637 0.918478 0.058039 Si\n0.447632 0.588207 0.558048 Si\n0.017277 0.088221 0.914985 Si\n0.870904 0.376104 0.543362 Si\n0.594016 0.876085 0.929689 Si\n0.094033 0.630613 0.429677 Si\n0.370918 0.130610 0.043366 Si\n0.326925 0.464297 0.490098 Si\n0.138005 0.964304 0.982925 Si\n0.638013 0.542398 0.482938 Si\n0.826908 0.042392 0.990097 Si\n0.910655 0.442607 0.354954 Si\n0.554307 0.942613 0.118099 Si\n0.054331 0.564093 0.618094 Si\n0.410655 0.064100 0.854950 Si\n0.620772 0.534581 0.015402 O\n0.844164 0.034566 0.457658 O\n0.344171 0.472130 0.957660 O\n0.120778 0.972119 0.515393 O\n0.574395 0.161660 0.307442 O\n0.890567 0.661656 0.165587 O\n0.390585 0.845044 0.665582 O\n0.074407 0.345048 0.807434 O\n0.879096 0.400176 0.257377 O\n0.585847 0.900169 0.215659 O\n0.085877 0.606547 0.715645 O\n0.379104 0.106528 0.757372 O\n0.642107 0.240377 0.456194 O\n0.822885 0.740370 0.016852 O\n0.322902 0.766312 0.516876 O\n0.142090 0.266334 0.956186 O\n0.528703 0.149058 0.481615 O\n0.936210 0.649037 0.991385 O\n0.436203 0.857662 0.491379 O\n0.028704 0.357663 0.981609 O\n0.731498 0.330149 0.149384 O\n0.733466 0.830141 0.323677 O\n0.233476 0.676569 0.823717 O\n0.231471 0.176548 0.649373 O\n0.739491 0.449040 0.113136 O\n0.725409 0.949033 0.359897 O\n0.225411 0.557661 0.859904 O\n0.239496 0.057658 0.613150 O\n0.623854 0.234165 0.173201 O\n0.841109 0.734155 0.299840 O\n0.341112 0.772541 0.799830 O\n0.123840 0.272536 0.673211 O\n0.415079 0.420685 0.461711 O\n0.049828 0.920692 0.011289 O\n0.549834 0.585994 0.511318 O\n0.915065 0.085998 0.961696 O\n0.919760 0.399798 0.451833 O\n0.545190 0.899802 0.021219 O\n0.045192 0.606899 0.521206 O\n0.419754 0.106914 0.951824 O\n0.375135 0.135028 0.569307 O\n0.089771 0.635042 0.903704 O\n0.589771 0.871649 0.403716 O\n0.875142 0.371678 0.069317 O\n0.545991 0.462570 0.136395 O\n0.918899 0.962591 0.336592 O\n0.418895 0.544105 0.836588 O\n0.045981 0.044115 0.636390 O\n0.597448 0.601239 0.854456 O\n0.867451 0.101245 0.618597 O\n0.367441 0.405469 0.118611 O\n0.097452 0.905473 0.354449 O\n0.721618 0.129794 0.461415 O\n0.743327 0.629787 0.011621 O\n0.243332 0.876899 0.511616 O\n0.221618 0.376907 0.961419 O\n0.484513 0.425415 0.295751 O\n0.980448 0.925430 0.177277 O\n0.480445 0.581267 0.677283 O\n0.984515 0.081273 0.795753 O\n0.379694 0.071530 0.405523 O\n0.085260 0.571532 0.067465 O\n0.585250 0.935185 0.567453 O\n0.879695 0.435180 0.905540 O\n0.688577 0.545619 0.205744 O\n0.776294 0.045643 0.267343 O\n0.276301 0.461051 0.767339 O\n0.188574 0.961076 0.705742 O\n0.637401 0.114370 0.153982 O\n0.827512 0.614364 0.319013 O\n0.327527 0.892335 0.819001 O\n0.137400 0.392332 0.653969 O\n0.456409 0.166003 0.125316 O\n0.008528 0.665991 0.347724 O\n0.508526 0.840698 0.847732 O\n0.956392 0.340713 0.625314 O\n0.575728 0.353977 0.444418 O\n0.889162 0.853986 0.028622 O\n0.389170 0.652700 0.528630 O\n0.075734 0.152717 0.944428 O\n0.505891 0.045547 0.575892 O\n0.959013 0.545544 0.897098 O\n0.459010 0.961156 0.397093 O\n0.005894 0.461167 0.075908 O\n0.226353 0.463999 0.399987 O\n0.238563 0.964011 0.073047 O\n0.738585 0.542706 0.573047 O\n0.726337 0.042697 0.899985 O\n0.761288 0.531431 0.905723 O\n0.703635 0.031438 0.567311 O\n0.203629 0.475265 0.067310 O\n0.261311 0.975269 0.405740 O\n0.672701 0.569077 0.386183 O\n0.792283 0.069076 0.086889 O\n0.292288 0.437613 0.586886 O\n0.172722 0.937609 0.886192 O\n0.138916 0.572945 0.379842 O\n0.326031 0.072938 0.093185 O\n0.826030 0.433773 0.593187 O\n0.638899 0.933750 0.879838 O\n0.690238 0.313168 0.321764 O\n0.774685 0.813132 0.151274 O\n0.274699 0.693535 0.651291 O\n0.190238 0.193537 0.821780 O\n0.537648 0.343213 0.173278 O\n0.927268 0.843220 0.299736 O\n0.427265 0.663472 0.799760 O\n0.037645 0.163484 0.673284 O\n0.823204 0.495108 0.355666 O\n0.641779 0.995105 0.117389 O\n0.141803 0.511605 0.617386 O\n0.323194 0.011602 0.855661 O\n0.021538 0.474060 0.356594 O\n0.443421 0.974062 0.116470 O\n0.943448 0.532641 0.616475 O\n0.521528 0.032636 0.856586 O\n0.327428 0.003945 0.245676 O\n0.137413 0.503956 0.227341 O\n0.637405 0.002741 0.727329 O\n0.827432 0.502748 0.745675 O\n0.776990 0.328693 0.507283 O\n0.687902 0.828657 0.965755 O\n0.187911 0.678046 0.465762 O\n0.276996 0.178022 0.007305 O\n0.594941 0.473386 0.460799 O\n0.869954 0.973376 0.012223 O\n0.369953 0.533312 0.512221 O\n0.094936 0.033310 0.960787 O\n",
"nsites": 192,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.6058095267023924,
"density_atomic": 0.04828421571138886,
"volume": 3976.454772459164,
"volume_molar": 12.472276232043155,
"formula_full": "Si64 O128",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -1605.00246503,
"energy_per_atom": -8.359387838697916,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1517.06646503,
"band_gap": 5.6649,
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"total_magnetization": 0.0043092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.365000Z",
"spacegroup": 14
},
{
"id": "mp-24523",
"created_at": "2022-09-04T14:44:17.809074Z",
"structure_string": "Cs4 Al4 H96 Se8 O80\n1.0\n12.678505 0.000000 0.000000\n0.000000 12.678505 0.000000\n0.000000 0.000000 12.678505\nCs Al H Se O\n4 4 96 8 80\ndirect\n0.500000 0.000000 0.000000 Cs\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.700128 0.024635 0.450971 H\n0.200128 0.475365 0.549029 H\n0.299872 0.524635 0.049029 H\n0.475365 0.549029 0.200128 H\n0.049029 0.299872 0.524635 H\n0.549029 0.200128 0.475365 H\n0.024635 0.450971 0.700128 H\n0.450971 0.700128 0.024635 H\n0.524635 0.049029 0.299872 H\n0.975365 0.950971 0.799872 H\n0.950971 0.799872 0.975365 H\n0.799872 0.975365 0.950971 H\n0.299872 0.975365 0.549029 H\n0.799872 0.524635 0.450971 H\n0.700128 0.475365 0.950971 H\n0.524635 0.450971 0.799872 H\n0.950971 0.700128 0.475365 H\n0.450971 0.799872 0.524635 H\n0.975365 0.549029 0.299872 H\n0.549029 0.299872 0.975365 H\n0.475365 0.950971 0.700128 H\n0.024635 0.049029 0.200128 H\n0.049029 0.200128 0.024635 H\n0.200128 0.024635 0.049029 H\n0.685310 0.034397 0.579149 H\n0.185310 0.465603 0.420851 H\n0.314690 0.534397 0.920851 H\n0.465603 0.420851 0.185310 H\n0.920851 0.314690 0.534397 H\n0.420851 0.185310 0.465603 H\n0.034397 0.579149 0.685310 H\n0.579149 0.685310 0.034397 H\n0.534397 0.920851 0.314690 H\n0.965603 0.079149 0.814690 H\n0.079149 0.814690 0.965603 H\n0.814690 0.965603 0.079149 H\n0.314690 0.965603 0.420851 H\n0.814690 0.534397 0.579149 H\n0.685310 0.465603 0.079149 H\n0.534397 0.579149 0.814690 H\n0.079149 0.685310 0.465603 H\n0.579149 0.814690 0.534397 H\n0.965603 0.420851 0.314690 H\n0.420851 0.314690 0.965603 H\n0.465603 0.079149 0.685310 H\n0.034397 0.920851 0.185310 H\n0.920851 0.185310 0.034397 H\n0.616171 0.167194 0.222140 H\n0.497232 0.198731 0.226185 H\n0.997232 0.301269 0.773815 H\n0.502768 0.698731 0.273815 H\n0.301269 0.773815 0.997232 H\n0.273815 0.502768 0.698731 H\n0.773815 0.997232 0.301269 H\n0.198731 0.226185 0.497232 H\n0.226185 0.497232 0.198731 H\n0.698731 0.273815 0.502768 H\n0.801269 0.726185 0.002768 H\n0.726185 0.002768 0.801269 H\n0.002768 0.801269 0.726185 H\n0.502768 0.801269 0.773815 H\n0.002768 0.698731 0.226185 H\n0.497232 0.301269 0.726185 H\n0.698731 0.226185 0.002768 H\n0.726185 0.497232 0.301269 H\n0.226185 0.002768 0.698731 H\n0.801269 0.773815 0.502768 H\n0.773815 0.502768 0.801269 H\n0.301269 0.726185 0.497232 H\n0.198731 0.273815 0.997232 H\n0.273815 0.997232 0.198731 H\n0.997232 0.198731 0.273815 H\n0.116171 0.167194 0.277860 H\n0.277860 0.116171 0.167194 H\n0.167194 0.277860 0.116171 H\n0.332806 0.722140 0.616171 H\n0.777860 0.383829 0.832806 H\n0.832806 0.777860 0.383829 H\n0.222140 0.883829 0.667194 H\n0.722140 0.616171 0.332806 H\n0.667194 0.222140 0.883829 H\n0.616171 0.332806 0.722140 H\n0.883829 0.667194 0.222140 H\n0.383829 0.832806 0.777860 H\n0.883829 0.832806 0.722140 H\n0.722140 0.883829 0.832806 H\n0.832806 0.722140 0.883829 H\n0.667194 0.277860 0.383829 H\n0.222140 0.616171 0.167194 H\n0.167194 0.222140 0.616171 H\n0.777860 0.116171 0.332806 H\n0.277860 0.383829 0.667194 H\n0.332806 0.777860 0.116171 H\n0.383829 0.667194 0.277860 H\n0.116171 0.332806 0.777860 H\n0.185310 0.034397 0.920851 H\n0.309276 0.190724 0.809276 Se\n0.809276 0.190724 0.690724 Se\n0.190724 0.690724 0.809276 Se\n0.309276 0.309276 0.309276 Se\n0.690724 0.809276 0.190724 Se\n0.690724 0.690724 0.690724 Se\n0.190724 0.809276 0.309276 Se\n0.809276 0.309276 0.190724 Se\n0.544441 0.137269 0.213447 O\n0.044441 0.362731 0.786553 O\n0.455559 0.637269 0.286553 O\n0.362731 0.786553 0.044441 O\n0.286553 0.455559 0.637269 O\n0.786553 0.044441 0.362731 O\n0.137269 0.213447 0.544441 O\n0.213447 0.544441 0.137269 O\n0.637269 0.286553 0.455559 O\n0.862731 0.713447 0.955559 O\n0.713447 0.955559 0.862731 O\n0.955559 0.862731 0.713447 O\n0.455559 0.862731 0.786553 O\n0.955559 0.637269 0.213447 O\n0.544441 0.362731 0.713447 O\n0.637269 0.213447 0.955559 O\n0.713447 0.544441 0.362731 O\n0.213447 0.955559 0.637269 O\n0.862731 0.786553 0.455559 O\n0.786553 0.455559 0.862731 O\n0.362731 0.713447 0.544441 O\n0.137269 0.286553 0.044441 O\n0.286553 0.044441 0.137269 O\n0.044441 0.137269 0.286553 O\n0.149339 0.012519 0.987621 O\n0.987621 0.149339 0.012519 O\n0.012519 0.987621 0.149339 O\n0.487481 0.012379 0.649339 O\n0.487621 0.350661 0.987481 O\n0.987481 0.487621 0.350661 O\n0.512379 0.850661 0.512519 O\n0.012379 0.649339 0.487481 O\n0.512519 0.512379 0.850661 O\n0.649339 0.487481 0.012379 O\n0.850661 0.512519 0.512379 O\n0.350661 0.987481 0.487621 O\n0.850661 0.987481 0.012379 O\n0.012379 0.850661 0.987481 O\n0.987481 0.012379 0.850661 O\n0.512519 0.987621 0.350661 O\n0.512379 0.649339 0.012519 O\n0.012519 0.512379 0.649339 O\n0.487621 0.149339 0.487481 O\n0.987621 0.350661 0.512519 O\n0.487481 0.487621 0.149339 O\n0.350661 0.512519 0.987621 O\n0.149339 0.487481 0.487621 O\n0.649339 0.012519 0.512379 O\n0.815390 0.258421 0.068931 O\n0.315390 0.241579 0.931069 O\n0.184610 0.758421 0.431069 O\n0.241579 0.931069 0.315390 O\n0.431069 0.184610 0.758421 O\n0.931069 0.315390 0.241579 O\n0.258421 0.068931 0.815390 O\n0.068931 0.815390 0.258421 O\n0.758421 0.431069 0.184610 O\n0.741579 0.568931 0.684610 O\n0.568931 0.684610 0.741579 O\n0.684610 0.741579 0.568931 O\n0.184610 0.741579 0.931069 O\n0.684610 0.758421 0.068931 O\n0.815390 0.241579 0.568931 O\n0.758421 0.068931 0.684610 O\n0.568931 0.815390 0.241579 O\n0.068931 0.684610 0.758421 O\n0.741579 0.931069 0.184610 O\n0.931069 0.184610 0.741579 O\n0.241579 0.568931 0.815390 O\n0.258421 0.431069 0.315390 O\n0.431069 0.315390 0.258421 O\n0.315390 0.258421 0.431069 O\n0.232528 0.232528 0.232528 O\n0.267472 0.732528 0.232528 O\n0.732528 0.232528 0.267472 O\n0.767472 0.767472 0.767472 O\n0.767472 0.732528 0.267472 O\n0.732528 0.267472 0.767472 O\n0.267472 0.767472 0.732528 O\n0.232528 0.267472 0.732528 O\n",
"nsites": 192,
"nelements": 5,
"elements": [
"Cs",
"Al",
"H",
"Se",
"O"
],
"chemical_system": "Al-Cs-H-O-Se",
"density": 2.1575131927692563,
"density_atomic": 0.09421001869124168,
"volume": 2037.9998079530096,
"volume_molar": 6.392250891846871,
"formula_full": "Cs4 Al4 H96 Se8 O80",
"formula_reduced": "CsAlH24(SeO10)2",
"formula_anonymous": "ABC2D20E24",
"energy": -1040.98240861,
"energy_per_atom": -5.421783378177083,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -986.02240861,
"band_gap": 4.2024,
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"updated_at": "2021-11-28T01:36:27.116000Z",
"spacegroup": 205
},
{
"id": "mp-705194",
"created_at": "2022-09-04T14:40:25.791195Z",
"structure_string": "Mn16 Sn8 C80 Br8 O80\n1.0\n12.605288 0.000000 0.000000\n0.000000 16.794212 0.000000\n0.000000 5.408401 16.542480\nMn Sn C Br O\n16 8 80 8 80\ndirect\n0.171748 0.605690 0.339526 Mn\n0.943418 0.918225 0.337223 Mn\n0.443418 0.081775 0.162777 Mn\n0.828252 0.394310 0.660474 Mn\n0.328252 0.605690 0.839526 Mn\n0.161609 0.812631 0.078039 Mn\n0.697877 0.705306 0.320439 Mn\n0.802123 0.705306 0.820439 Mn\n0.338391 0.812631 0.578039 Mn\n0.197877 0.294694 0.179561 Mn\n0.838391 0.187369 0.921961 Mn\n0.302123 0.294694 0.679561 Mn\n0.556582 0.918225 0.837223 Mn\n0.671748 0.394310 0.160474 Mn\n0.056582 0.081775 0.662777 Mn\n0.661609 0.187369 0.421961 Mn\n0.623380 0.800137 0.764957 Sn\n0.055091 0.714310 0.213041 Sn\n0.876620 0.800137 0.264957 Sn\n0.123380 0.199863 0.735043 Sn\n0.944909 0.285690 0.786959 Sn\n0.444909 0.714310 0.713041 Sn\n0.376620 0.199863 0.235043 Sn\n0.555091 0.285690 0.286959 Sn\n0.054534 0.606541 0.403905 C\n0.401763 0.909132 0.588989 C\n0.170392 0.291338 0.286224 C\n0.192052 0.088163 0.619689 C\n0.514947 0.997746 0.882279 C\n0.792805 0.290228 0.928545 C\n0.753913 0.465801 0.577687 C\n0.281650 0.613579 0.266092 C\n0.329608 0.291338 0.786224 C\n0.707195 0.290228 0.428545 C\n0.454567 0.802701 0.514717 C\n0.746087 0.465801 0.077687 C\n0.514677 0.829069 0.925844 C\n0.610853 0.479303 0.193949 C\n0.718350 0.386421 0.733908 C\n0.635802 0.810501 0.294983 C\n0.268864 0.812047 0.151077 C\n0.731136 0.187953 0.848923 C\n0.599274 0.999454 0.742129 C\n0.400726 0.000546 0.257871 C\n0.445466 0.606541 0.903905 C\n0.389147 0.520697 0.806051 C\n0.598237 0.090868 0.411011 C\n0.864198 0.810501 0.794983 C\n0.829608 0.708662 0.713776 C\n0.775782 0.300168 0.639248 C\n0.807948 0.911837 0.380311 C\n0.218350 0.613579 0.766092 C\n0.985323 0.829069 0.425844 C\n0.292805 0.709772 0.571455 C\n0.774416 0.606512 0.336131 C\n0.900726 0.999454 0.242129 C\n0.231136 0.812047 0.651077 C\n0.741637 0.126326 0.506572 C\n0.110853 0.520697 0.306051 C\n0.253913 0.534199 0.922313 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C\n0.945466 0.393459 0.596095 C\n0.014677 0.170931 0.574156 C\n0.275782 0.699832 0.860752 C\n0.207195 0.709772 0.071455 C\n0.985053 0.997746 0.382279 C\n0.258363 0.873674 0.493428 C\n0.925061 0.650631 0.859747 C\n0.307948 0.088163 0.119689 C\n0.014947 0.002254 0.617721 C\n0.485323 0.170931 0.074156 C\n0.740608 0.708433 0.421744 C\n0.817732 0.882304 0.119062 Br\n0.938225 0.621358 0.152284 Br\n0.317732 0.117696 0.380938 Br\n0.438225 0.378642 0.347716 Br\n0.182268 0.117696 0.880938 Br\n0.561775 0.621358 0.652284 Br\n0.061775 0.378642 0.847716 Br\n0.682268 0.882304 0.619062 Br\n0.003912 0.617647 0.885616 O\n0.725396 0.909305 0.410051 O\n0.905902 0.875134 0.777174 O\n0.225396 0.090695 0.089949 O\n0.486178 0.775482 0.981767 O\n0.621005 0.053084 0.684433 O\n0.703634 0.087120 0.057856 O\n0.016754 0.393986 0.553828 O\n0.490246 0.049307 0.910083 O\n0.234512 0.646791 0.063919 O\n0.647340 0.382199 0.777069 O\n0.423667 0.466072 0.786794 O\n0.986178 0.224518 0.518233 O\n0.594098 0.875134 0.277174 O\n0.818115 0.543384 0.347165 O\n0.378995 0.946916 0.315567 O\n0.405902 0.124866 0.722826 O\n0.121005 0.946916 0.815567 O\n0.352660 0.617801 0.222931 O\n0.765488 0.353209 0.936081 O\n0.681885 0.543384 0.847165 O\n0.758778 0.243282 0.123323 O\n0.094098 0.124866 0.222826 O\n0.266782 0.290691 0.014862 O\n0.647698 0.710652 0.149028 O\n0.655713 0.085856 0.240662 O\n0.181885 0.456616 0.652835 O\n0.265488 0.646791 0.563919 O\n0.147340 0.617801 0.722931 O\n0.977596 0.797293 0.972093 O\n0.923667 0.533928 0.713206 O\n0.160953 0.810687 0.694572 O\n0.203634 0.912880 0.442144 O\n0.939013 0.028822 0.908645 O\n0.983246 0.606014 0.446172 O\n0.516754 0.606014 0.946172 O\n0.522404 0.797293 0.472093 O\n0.706228 0.510362 0.524806 O\n0.734512 0.353209 0.436081 O\n0.509754 0.950693 0.089917 O\n0.076333 0.466072 0.286794 O\n0.996088 0.382353 0.114384 O\n0.741222 0.243282 0.623323 O\n0.318115 0.456616 0.152835 O\n0.206228 0.489638 0.975194 O\n0.147698 0.289348 0.350972 O\n0.009754 0.049307 0.410083 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"nsites": 192,
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"elements": [
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"C",
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],
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"density": 2.2327481895685652,
"density_atomic": 0.05482620764998812,
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"volume_molar": 10.98405492213778,
"formula_full": "Mn16 Sn8 C80 Br8 O80",
"formula_reduced": "Mn2SnC10BrO10",
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"energy": -1477.3976225600002,
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"updated_at": "2021-11-28T01:34:57.299000Z",
"spacegroup": 14
},
{
"id": "mp-1199124",
"created_at": "2022-09-04T14:44:03.935977Z",
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"nelements": 7,
"elements": [
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"H",
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"N",
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],
"chemical_system": "Al-Cl-H-N-Na-O-S",
"density": 2.0767335962899813,
"density_atomic": 0.09958222876789767,
"volume": 1928.0548585381234,
"volume_molar": 6.047405078707535,
"formula_full": "Na4 Al8 H72 S16 N16 Cl4 O72",
"formula_reduced": "NaAl2H18S4N4ClO18",
"formula_anonymous": "ABC2D4E4F18G18",
"energy": -1135.0134415599998,
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"updated_at": "2021-11-28T01:36:28.495000Z",
"spacegroup": 142
},
{
"id": "mp-683970",
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{
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}
]
}