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{
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{
"id": "mp-657338",
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"structure_string": "Mg16 Si16 O48\n1.0\n5.437069 0.000000 0.000000\n0.000000 8.284873 0.000000\n0.000000 0.000000 19.581675\nMg Si O\n16 16 48\ndirect\n0.939830 0.561221 0.882965 Mg\n0.939386 0.065849 0.868964 Mg\n0.560614 0.565849 0.131036 Mg\n0.060614 0.434151 0.368964 Mg\n0.439386 0.434151 0.868964 Mg\n0.560170 0.061221 0.117035 Mg\n0.939386 0.565849 0.631036 Mg\n0.939830 0.061221 0.617035 Mg\n0.560614 0.065849 0.368964 Mg\n0.439830 0.938779 0.882965 Mg\n0.560170 0.561221 0.382965 Mg\n0.060170 0.938779 0.382965 Mg\n0.060614 0.934151 0.131036 Mg\n0.060170 0.438779 0.117035 Mg\n0.439830 0.438779 0.617035 Mg\n0.439386 0.934151 0.631036 Mg\n0.275473 0.148600 0.257930 Si\n0.224527 0.148600 0.757930 Si\n0.250763 0.650137 0.491394 Si\n0.249237 0.150137 0.508606 Si\n0.775473 0.351400 0.257930 Si\n0.724527 0.851400 0.742070 Si\n0.749237 0.849863 0.991394 Si\n0.749237 0.349863 0.508606 Si\n0.750763 0.849863 0.491394 Si\n0.249237 0.650137 0.991394 Si\n0.750763 0.349863 0.008606 Si\n0.275473 0.648600 0.242070 Si\n0.775473 0.851400 0.242070 Si\n0.250763 0.150137 0.008606 Si\n0.224527 0.648600 0.742070 Si\n0.724527 0.351400 0.757930 Si\n0.263839 0.624368 0.072471 O\n0.236161 0.624368 0.572471 O\n0.003730 0.751464 0.460443 O\n0.716017 0.511176 0.805875 O\n0.736161 0.875632 0.572471 O\n0.273891 0.616094 0.323042 O\n0.273891 0.116094 0.176958 O\n0.216017 0.488824 0.694125 O\n0.462534 0.760585 0.713336 O\n0.226109 0.616094 0.823042 O\n0.773891 0.883906 0.323042 O\n0.236161 0.124368 0.927529 O\n0.226109 0.116094 0.676958 O\n0.537466 0.239415 0.286664 O\n0.726754 0.513655 0.552996 O\n0.263839 0.124368 0.427529 O\n0.496270 0.751464 0.960443 O\n0.503730 0.248536 0.039557 O\n0.037466 0.260585 0.286664 O\n0.537466 0.739415 0.213336 O\n0.962534 0.739415 0.713336 O\n0.037466 0.760585 0.213336 O\n0.996270 0.248536 0.539557 O\n0.773246 0.513655 0.052996 O\n0.462534 0.260585 0.786664 O\n0.763839 0.375632 0.427529 O\n0.003730 0.251464 0.039557 O\n0.283983 0.988824 0.305875 O\n0.783983 0.011176 0.194125 O\n0.503730 0.748536 0.460443 O\n0.726109 0.883906 0.823042 O\n0.226754 0.986345 0.552996 O\n0.273246 0.486345 0.447004 O\n0.736161 0.375632 0.927529 O\n0.226754 0.486345 0.947004 O\n0.273246 0.986345 0.052996 O\n0.783983 0.511176 0.305875 O\n0.996270 0.748536 0.960443 O\n0.763839 0.875632 0.072471 O\n0.216017 0.988824 0.805875 O\n0.496270 0.251464 0.539557 O\n0.773246 0.013655 0.447004 O\n0.283983 0.488824 0.194125 O\n0.726109 0.383906 0.676958 O\n0.716017 0.011176 0.694125 O\n0.726754 0.013655 0.947004 O\n0.962534 0.239415 0.786664 O\n0.773891 0.383906 0.176958 O\n",
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"elements": [
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],
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"density": 3.0238021550268885,
"density_atomic": 0.09069627465170964,
"volume": 882.0648952475137,
"volume_molar": 6.639898698293978,
"formula_full": "Mg16 Si16 O48",
"formula_reduced": "MgSiO3",
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"updated_at": "2021-11-28T01:34:24.357000Z",
"spacegroup": 61
},
{
"id": "mp-642209",
"created_at": "2022-09-04T14:48:11.508476Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.816389 0.000000 0.000000\n0.000000 8.826494 0.000000\n0.000000 0.000000 9.591577\nMg Si O\n8 8 24\ndirect\n0.729993 0.664861 0.753710 Mg\n0.725930 0.664171 0.498226 Mg\n0.270007 0.335139 0.253710 Mg\n0.770007 0.164861 0.253710 Mg\n0.274070 0.335829 0.998226 Mg\n0.774070 0.164171 0.998226 Mg\n0.229993 0.835139 0.753710 Mg\n0.225930 0.835829 0.498226 Mg\n0.911006 0.359040 0.758356 Si\n0.588994 0.859040 0.258356 Si\n0.411006 0.140960 0.758356 Si\n0.088994 0.640960 0.258356 Si\n0.891655 0.356304 0.492632 Si\n0.608345 0.856304 0.992632 Si\n0.391655 0.143696 0.492632 Si\n0.108345 0.643696 0.992632 Si\n0.465578 0.204468 0.125399 O\n0.991081 0.498961 0.374579 O\n0.008919 0.501039 0.874579 O\n0.034422 0.704468 0.625399 O\n0.892157 0.791935 0.340861 O\n0.534422 0.795532 0.625399 O\n0.491081 0.001039 0.374579 O\n0.392157 0.708065 0.340861 O\n0.585642 0.295194 0.408132 O\n0.862587 0.658848 0.121593 O\n0.914358 0.795194 0.908132 O\n0.107843 0.208065 0.840861 O\n0.085642 0.204806 0.408132 O\n0.414358 0.704806 0.908132 O\n0.214048 0.041731 0.626511 O\n0.362587 0.841152 0.121593 O\n0.965578 0.295532 0.125399 O\n0.508919 0.998961 0.874579 O\n0.785952 0.958269 0.126511 O\n0.637413 0.158848 0.621593 O\n0.607843 0.291935 0.840861 O\n0.285952 0.541731 0.126511 O\n0.137413 0.341152 0.621593 O\n0.714048 0.458269 0.626511 O\n",
"nsites": 40,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.270574986890391,
"density_atomic": 0.0980980077637999,
"volume": 407.75547752521015,
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"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
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"updated_at": "2021-11-28T01:38:40.248000Z",
"spacegroup": 33
},
{
"id": "mp-644879",
"created_at": "2022-09-04T14:48:07.753006Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.990599 0.000000 0.000000\n0.000000 9.063945 0.000000\n0.000000 0.000000 9.345140\nMg Si O\n8 8 24\ndirect\n0.250000 0.272500 0.000000 Mg\n0.250000 0.902636 0.000000 Mg\n0.250000 0.772500 0.500000 Mg\n0.750000 0.597364 0.500000 Mg\n0.750000 0.727500 0.000000 Mg\n0.750000 0.097364 0.000000 Mg\n0.750000 0.227500 0.500000 Mg\n0.250000 0.402636 0.500000 Mg\n0.329397 0.591515 0.206106 Si\n0.329397 0.091515 0.293894 Si\n0.170603 0.591515 0.793894 Si\n0.829397 0.408485 0.206106 Si\n0.170603 0.091515 0.706106 Si\n0.829397 0.908485 0.293894 Si\n0.670603 0.908485 0.706106 Si\n0.670603 0.408485 0.793894 Si\n0.483292 0.552936 0.849585 O\n0.111965 0.092675 0.878683 O\n0.074760 0.235862 0.620663 O\n0.388035 0.092675 0.121317 O\n0.483292 0.052936 0.650415 O\n0.611965 0.407325 0.621317 O\n0.574760 0.764138 0.620663 O\n0.074760 0.735862 0.879337 O\n0.425240 0.235862 0.379337 O\n0.574760 0.264138 0.879337 O\n0.925240 0.264138 0.120663 O\n0.388035 0.592675 0.378683 O\n0.111965 0.592675 0.621317 O\n0.016708 0.552936 0.150415 O\n0.016708 0.052936 0.349585 O\n0.516708 0.947064 0.349585 O\n0.983292 0.947064 0.650415 O\n0.611965 0.907325 0.878683 O\n0.888035 0.907325 0.121317 O\n0.888035 0.407325 0.378683 O\n0.983292 0.447064 0.849585 O\n0.516708 0.447064 0.150415 O\n0.425240 0.735862 0.120663 O\n0.925240 0.764138 0.379337 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 3.1547733684719965,
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"volume": 422.7228741338784,
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"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
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"updated_at": "2021-11-28T01:38:30.043000Z",
"spacegroup": 60
},
{
"id": "mp-1020112",
"created_at": "2022-09-04T14:39:32.496025Z",
"structure_string": "Mg4 Si2 O8\n1.0\n1.400227 -4.753186 0.000000\n1.400227 4.753186 0.000000\n0.000000 0.000000 9.470895\nMg Si O\n4 2 8\ndirect\n0.860315 0.139685 0.853847 Mg\n0.139685 0.860315 0.353847 Mg\n0.392188 0.607812 0.185079 Mg\n0.607812 0.392188 0.685079 Mg\n0.873468 0.126532 0.499108 Si\n0.126532 0.873468 0.999108 Si\n0.505266 0.494734 0.938191 O\n0.494734 0.505266 0.438191 O\n0.746744 0.253256 0.045366 O\n0.253256 0.746744 0.545366 O\n0.204315 0.795685 0.826679 O\n0.795685 0.204315 0.326679 O\n0.954824 0.045176 0.662530 O\n0.045176 0.954824 0.162530 O\n",
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"elements": [
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],
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"density": 3.706360148133294,
"density_atomic": 0.11105132923305108,
"volume": 126.06782914430278,
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"formula_full": "Mg4 Si2 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 36
},
{
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"created_at": "2022-09-04T14:48:23.799977Z",
"structure_string": "Mg2 Si1 O4\n1.0\n-1.749870 1.749870 5.366837\n1.749870 -1.749870 5.366837\n1.749870 1.749870 -5.366837\nMg Si O\n2 1 4\ndirect\n0.650146 0.650146 0.000000 Mg\n0.349854 0.349854 0.000000 Mg\n0.000000 0.000000 0.000000 Si\n0.833040 0.833040 0.000000 O\n0.166960 0.166960 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"updated_at": "2021-11-28T01:39:29.645000Z",
"spacegroup": 139
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{
"id": "mp-1211849",
"created_at": "2022-09-04T14:39:48.951329Z",
"structure_string": "Mg27 Si18 O81\n1.0\n-2.705089 -4.685352 0.000000\n-2.705089 4.685351 0.000000\n0.000000 0.000000 -65.072906\nMg Si O\n27 18 81\ndirect\n0.666393 0.690265 0.837262 Mg\n0.023872 0.333607 0.503929 Mg\n0.309735 0.976128 0.170595 Mg\n0.689838 0.356450 0.725734 Mg\n0.666613 0.310162 0.392401 Mg\n0.643550 0.333387 0.059067 Mg\n0.666912 0.690051 0.614627 Mg\n0.023139 0.333088 0.281294 Mg\n0.309949 0.976861 0.947960 Mg\n0.666379 0.689807 0.947982 Mg\n0.023427 0.333621 0.614649 Mg\n0.310193 0.976573 0.281315 Mg\n0.333841 0.643310 0.726055 Mg\n0.309469 0.666159 0.392722 Mg\n0.356690 0.690531 0.059388 Mg\n0.976608 0.000446 0.726055 Mg\n0.023837 0.023392 0.392722 Mg\n0.999554 0.976163 0.059388 Mg\n0.023583 0.333055 0.837266 Mg\n0.309472 0.976417 0.503933 Mg\n0.666945 0.690528 0.170599 Mg\n0.666607 0.689350 0.503510 Mg\n0.022743 0.333393 0.170177 Mg\n0.310650 0.977257 0.836843 Mg\n0.023138 0.333419 0.948020 Mg\n0.310281 0.976862 0.614687 Mg\n0.666581 0.689719 0.281353 Mg\n0.999849 0.333351 0.769483 Si\n0.333502 0.000151 0.436150 Si\n0.666649 0.666498 0.102816 Si\n0.333326 0.667063 0.880684 Si\n0.333738 0.666674 0.547351 Si\n0.332937 0.666262 0.214017 Si\n0.333074 0.666775 0.991610 Si\n0.333701 0.666926 0.658277 Si\n0.333225 0.666299 0.324943 Si\n0.666654 0.666508 0.769482 Si\n0.999854 0.333346 0.436149 Si\n0.333492 0.000146 0.102815 Si\n0.999647 0.999786 0.991607 Si\n0.000140 0.000353 0.658274 Si\n0.000214 0.999860 0.324940 Si\n0.000424 0.000008 0.880686 Si\n0.999585 0.999576 0.547353 Si\n-0.000008 0.000415 0.214019 Si\n0.333328 0.667663 0.966262 O\n0.334335 0.666672 0.632929 O\n0.332337 0.665665 0.299595 O\n0.668285 0.027903 0.822772 O\n0.359618 0.331715 0.489439 O\n0.972097 0.640382 0.156105 O\n0.970521 0.637122 0.822882 O\n0.666602 0.029479 0.489549 O\n0.362878 0.333398 0.156215 O\n0.361222 0.334960 0.822786 O\n0.973738 0.638778 0.489453 O\n0.665040 0.026262 0.156119 O\n0.666693 0.845761 0.332922 O\n0.179068 0.333307 0.999589 O\n0.154239 0.820932 0.666255 O\n0.666329 0.844490 0.999796 O\n0.178161 0.333671 0.666463 O\n0.155510 0.821839 0.333129 O\n0.999770 0.333098 0.744163 O\n0.333329 0.000230 0.410830 O\n0.666902 0.666671 0.077496 O\n0.666858 0.843524 0.888801 O\n0.176667 0.333142 0.555468 O\n0.156476 0.823333 0.222134 O\n0.999194 0.999025 0.966262 O\n0.999831 0.000806 0.632929 O\n0.000975 0.000169 0.299595 O\n0.333468 0.489512 0.777653 O\n0.156044 0.666532 0.444320 O\n0.510488 0.843956 0.110986 O\n0.846240 0.512935 0.777503 O\n0.666695 0.153760 0.444170 O\n0.487065 0.333305 0.110836 O\n0.000955 0.999797 0.855353 O\n0.998842 0.999045 0.522020 O\n0.000203 0.001158 0.188686 O\n0.638794 0.998906 0.711638 O\n0.360112 0.361206 0.378305 O\n0.001094 0.639888 0.044971 O\n0.029462 0.696071 0.711752 O\n0.666609 0.970538 0.378419 O\n0.303929 0.333391 0.045085 O\n0.332287 0.305394 0.711640 O\n0.973107 0.667713 0.378307 O\n0.694606 0.026893 0.044973 O\n0.822775 0.000169 0.777643 O\n0.177393 0.177225 0.444310 O\n-0.000169 0.822607 0.110976 O\n0.666335 0.333033 0.848647 O\n0.666697 0.333665 0.515314 O\n0.666967 0.333303 0.181980 O\n0.666639 0.843408 0.555582 O\n0.176769 0.333361 0.222249 O\n0.156592 0.823231 0.888915 O\n0.666353 0.666357 0.744162 O\n0.000004 0.333647 0.410829 O\n0.333643 -0.000004 0.077495 O\n0.666565 0.333330 0.959623 O\n0.666765 0.333435 0.626290 O\n0.666670 0.333235 0.292956 O\n0.666713 0.027657 0.933771 O\n0.360945 0.333287 0.600438 O\n0.972343 0.639055 0.267104 O\n0.176843 0.333504 0.888800 O\n0.156662 0.823157 0.555467 O\n0.666496 0.843338 0.222133 O\n0.666611 0.666147 0.404214 O\n0.999536 0.333389 0.070881 O\n0.333853 0.000464 0.737547 O\n0.333135 0.667638 0.855353 O\n0.334502 0.666865 0.522020 O\n0.332362 0.665498 0.188686 O\n0.666693 0.027784 0.600442 O\n0.361092 0.333307 0.267109 O\n0.972216 0.638908 0.933775 O\n0.666919 0.844861 0.666482 O\n0.177942 0.333081 0.333149 O\n0.155139 0.822058 0.999815 O\n0.360362 0.333393 0.933786 O\n0.973031 0.639638 0.600453 O\n0.666607 0.026969 0.267119 O\n",
"nsites": 126,
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"elements": [
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"volume": 1649.5061284741605,
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"formula_full": "Mg27 Si18 O81",
"formula_reduced": "Mg3Si2O9",
"formula_anonymous": "A2B3C9",
"energy": -849.9282929100001,
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"updated_at": "2021-11-28T01:34:42.181000Z",
"spacegroup": 144
},
{
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}