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{
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"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=12193",
"results": [
{
"id": "mp-1195265",
"created_at": "2022-09-04T14:47:39.613329Z",
"structure_string": "Si96 O192\n1.0\n20.372038 -0.000024 0.006904\n-0.002005 19.994545 0.000409\n0.000101 0.000002 13.541040\nSi O\n96 192\ndirect\n0.428162 0.081586 0.658578 Si\n0.078646 0.581523 0.158358 Si\n0.428022 0.464370 0.657696 Si\n0.078493 0.963989 0.159251 Si\n0.577596 0.964127 0.316959 Si\n0.927116 0.464225 0.817257 Si\n0.577760 0.581364 0.317828 Si\n0.927225 0.081735 0.816278 Si\n0.315336 0.052898 0.806521 Si\n0.190876 0.553282 0.306319 Si\n0.315042 0.492814 0.805553 Si\n0.190590 0.992541 0.307286 Si\n0.690392 0.992850 0.168996 Si\n0.814881 0.492474 0.669264 Si\n0.690695 0.552944 0.169957 Si\n0.815155 0.053187 0.668213 Si\n0.281621 0.078923 0.025858 Si\n0.223786 0.578626 0.526479 Si\n0.281641 0.466531 0.024978 Si\n0.223765 0.967425 0.527355 Si\n0.724103 0.966826 0.949662 Si\n0.781953 0.467076 0.449159 Si\n0.724083 0.579195 0.950504 Si\n0.781976 0.078320 0.448163 Si\n0.125566 0.087110 0.020375 Si\n0.380140 0.586948 0.519550 Si\n0.125493 0.458206 0.019746 Si\n0.380041 0.959153 0.520222 Si\n0.880153 0.958615 0.955167 Si\n0.625615 0.458764 0.456034 Si\n0.880249 0.587522 0.955856 Si\n0.625697 0.086568 0.455342 Si\n0.075316 0.055152 0.807808 Si\n0.429938 0.554722 0.306510 Si\n0.075074 0.490725 0.807335 Si\n0.429678 0.990858 0.307002 Si\n0.930406 0.990566 0.167746 Si\n0.575791 0.490995 0.669079 Si\n0.930665 0.555009 0.168267 Si\n0.576065 0.054872 0.668575 Si\n0.194174 0.089902 0.676693 Si\n0.311303 0.589091 0.174960 Si\n0.193725 0.456243 0.675751 Si\n0.310836 0.956275 0.175880 Si\n0.811527 0.955826 0.298828 Si\n0.694451 0.456613 0.800568 Si\n0.811980 0.589463 0.299824 Si\n0.694923 0.089481 0.799631 Si\n0.426684 0.851269 0.669791 Si\n0.078835 0.350983 0.170221 Si\n0.426543 0.694783 0.669285 Si\n0.078710 0.194411 0.170716 Si\n0.579033 0.194465 0.305761 Si\n0.926909 0.694744 0.805345 Si\n0.579177 0.350946 0.306291 Si\n0.927031 0.851311 0.804837 Si\n0.311662 0.893704 0.806081 Si\n0.194362 0.393971 0.305480 Si\n0.311417 0.652059 0.805468 Si\n0.194152 0.151804 0.306121 Si\n0.694062 0.152036 0.169468 Si\n0.811367 0.651786 0.670078 Si\n0.694300 0.393698 0.170109 Si\n0.811592 0.893926 0.669421 Si\n0.272180 0.853064 0.019520 Si\n0.233578 0.353224 0.519364 Si\n0.272287 0.692561 0.019204 Si\n0.233659 0.192657 0.519744 Si\n0.733579 0.192665 0.956045 Si\n0.772146 0.692504 0.456188 Si\n0.733471 0.353166 0.956397 Si\n0.772060 0.853066 0.455811 Si\n0.118782 0.850326 0.015778 Si\n0.386827 0.350331 0.515574 Si\n0.118904 0.695312 0.015046 Si\n0.386921 0.195479 0.516241 Si\n0.886967 0.195382 0.959759 Si\n0.618897 0.695371 0.460001 Si\n0.886850 0.350412 0.960504 Si\n0.618801 0.850245 0.459306 Si\n0.072797 0.896493 0.803315 Si\n0.433172 0.395941 0.303240 Si\n0.072693 0.649411 0.802649 Si\n0.433024 0.149629 0.303791 Si\n0.932955 0.149231 0.172235 Si\n0.572548 0.649780 0.672372 Si\n0.933067 0.396316 0.172873 Si\n0.572688 0.896102 0.671759 Si\n0.190689 0.849904 0.671525 Si\n0.315596 0.350077 0.170620 Si\n0.190463 0.695787 0.670836 Si\n0.315333 0.195750 0.171260 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O\n0.310598 0.375680 0.510045 O\n0.195241 0.670342 0.009224 O\n0.310672 0.170241 0.510080 O\n0.810620 0.170525 0.966485 O\n0.695128 0.670049 0.465559 O\n0.810518 0.375383 0.966411 O\n0.695049 0.875468 0.465551 O\n0.114095 0.772736 0.050407 O\n0.391288 0.272976 0.551413 O\n0.891636 0.272980 0.925143 O\n0.614423 0.772731 0.424209 O\n0.085039 0.858155 0.907679 O\n0.419736 0.356848 0.406670 O\n0.085794 0.688259 0.906378 O\n0.420336 0.188276 0.407786 O\n0.920751 0.187537 0.067830 O\n0.585947 0.688795 0.568866 O\n0.920000 0.357460 0.069142 O\n0.585314 0.857515 0.567699 O\n0.117938 0.864827 0.716156 O\n0.388407 0.365073 0.215038 O\n0.117545 0.680491 0.714659 O\n0.388013 0.180998 0.216294 O\n0.887791 0.180940 0.259330 O\n0.617312 0.680739 0.760496 O\n0.888189 0.365233 0.260829 O\n0.617714 0.864662 0.759176 O\n0.194377 0.772916 0.634769 O\n0.311363 0.272850 0.134943 O\n0.811357 0.272828 0.340767 O\n0.694398 0.772900 0.840632 O\n",
"nsites": 288,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.7365340894809285,
"density_atomic": 0.05221490168816077,
"volume": 5515.666805618083,
"volume_molar": 11.533375655795712,
"formula_full": "Si96 O192",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -2408.33074462,
"energy_per_atom": -8.362259529930556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2276.42674462,
"band_gap": 5.7794,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014918,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.041000Z",
"spacegroup": 62
},
{
"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 Si\n0.319341 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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-1196803",
"created_at": "2022-09-04T14:48:30.244367Z",
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"elements": [
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],
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"density": 1.8015062265447945,
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"formula_full": "C256 Cl16",
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"updated_at": "2021-11-28T01:39:53.564000Z",
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},
{
"id": "mp-1205237",
"created_at": "2022-09-04T14:47:10.159493Z",
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"nsites": 300,
"nelements": 3,
"elements": [
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],
"chemical_system": "C-Cl-Ti",
"density": 1.7962174309901986,
"density_atomic": 0.06290561958863433,
"volume": 4769.049283066014,
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"formula_full": "Ti12 C240 Cl48",
"formula_reduced": "Ti(C5Cl)4",
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"updated_at": "2021-11-28T01:37:54.104000Z",
"spacegroup": 14
},
{
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O\n0.002810 0.322862 0.858255 O\n0.502810 0.322862 0.641744 O\n0.002810 0.822862 0.641744 O\n0.502810 0.177138 0.141744 O\n0.002810 0.677138 0.141745 O\n0.502814 0.682623 0.216674 O\n0.002814 0.182623 0.216675 O\n0.502814 0.817377 0.716675 O\n0.002814 0.317377 0.716674 O\n0.502814 0.317377 0.783325 O\n0.002814 0.817377 0.783326 O\n0.502814 0.182623 0.283325 O\n0.002814 0.682623 0.283326 O\n",
"nsites": 336,
"nelements": 2,
"elements": [
"Si",
"O"
],
"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,
"energy_per_atom": -8.361739060535715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2655.65632434,
"band_gap": 5.6892,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.105000Z",
"spacegroup": 64
},
{
"id": "mp-1250639",
"created_at": "2022-09-04T14:42:58.691153Z",
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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 O\n0.860483 0.942049 0.211034 O\n0.527151 0.275220 0.544347 O\n0.193760 0.608283 0.877655 O\n0.032291 0.907056 0.211077 O\n0.699135 0.240500 0.544357 O\n0.366042 0.574046 0.877692 O\n0.906132 0.861392 0.786382 O\n0.573162 0.194542 0.119735 O\n0.239479 0.528059 0.453054 O\n0.112906 0.033297 0.786379 O\n0.779644 0.366996 0.119820 O\n0.446263 0.699973 0.453062 O\n0.941006 0.068146 0.786385 O\n0.607234 0.401005 0.119812 O\n0.274351 0.734833 0.453052 O\n0.086977 0.877760 0.007500 O\n0.753061 0.210575 0.340850 O\n0.419850 0.544104 0.674166 O\n0.096455 0.197518 0.007499 O\n0.763668 0.530888 0.340844 O\n0.430185 0.864235 0.674162 O\n0.776646 0.887442 0.007507 O\n0.443407 0.221370 0.340831 O\n0.110070 0.554533 0.674155 O\n0.886521 0.097268 0.989804 O\n0.553694 0.431328 0.323233 O\n0.220219 0.764515 0.656558 O\n0.876926 0.777593 0.989985 O\n0.543081 0.111012 0.323251 O\n0.209856 0.444322 0.656575 O\n0.196717 0.087756 0.989925 O\n0.863306 0.420537 0.323251 O\n0.530012 0.754057 0.656573 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
}
]
}