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{
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"results": [
{
"id": "mp-556454",
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"structure_string": "Si16 O32\n1.0\n8.452575 -10.193901 0.000000\n8.452575 10.193901 0.000000\n0.000000 0.000000 5.202958\nSi O\n16 32\ndirect\n0.260145 0.107822 0.466781 Si\n0.739855 0.892178 0.466781 Si\n0.500666 0.877568 0.468660 Si\n0.628821 0.186508 0.971513 Si\n0.186508 0.628821 0.028487 Si\n0.213138 0.971043 0.965576 Si\n0.971043 0.213138 0.034424 Si\n0.028957 0.786862 0.034424 Si\n0.371179 0.813492 0.971513 Si\n0.813492 0.371179 0.028487 Si\n0.499334 0.122432 0.468660 Si\n0.877568 0.500666 0.531340 Si\n0.122432 0.499334 0.531340 Si\n0.892178 0.739855 0.533219 Si\n0.107822 0.260145 0.533219 Si\n0.786862 0.028957 0.965576 Si\n0.790919 0.790919 0.500000 O\n0.939194 0.768452 0.818323 O\n0.299067 0.700933 0.000000 O\n0.457836 0.829433 0.194747 O\n0.768452 0.939194 0.181677 O\n0.021077 0.216375 0.319480 O\n0.383313 0.143135 0.503703 O\n0.899489 0.100511 0.000000 O\n0.097088 0.697395 0.003904 O\n0.216375 0.021077 0.680520 O\n0.231548 0.060806 0.181677 O\n0.700933 0.299067 0.000000 O\n0.427920 0.819752 0.694801 O\n0.209081 0.209081 0.500000 O\n0.060806 0.231548 0.818323 O\n0.542164 0.170567 0.194747 O\n0.616687 0.856865 0.503703 O\n0.978923 0.783625 0.319480 O\n0.180248 0.572080 0.305199 O\n0.302605 0.902912 0.996096 O\n0.783625 0.978923 0.680520 O\n0.902912 0.302605 0.003904 O\n0.697395 0.097088 0.996096 O\n0.500000 0.000000 0.477620 O\n0.143135 0.383313 0.496297 O\n0.829433 0.457836 0.805253 O\n0.819752 0.427920 0.305199 O\n0.100511 0.899489 0.000000 O\n0.856865 0.616687 0.496297 O\n0.572080 0.180248 0.694801 O\n0.170567 0.542164 0.805253 O\n0.000000 0.500000 0.522380 O\n",
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},
{
"id": "mp-560954",
"created_at": "2022-09-04T14:41:09.575758Z",
"structure_string": "Si8 O16\n1.0\n-2.907073 2.907073 11.349515\n2.907073 -2.907073 11.349515\n2.907073 2.907073 -11.349515\nSi O\n8 16\ndirect\n0.060361 0.684928 0.122046 Si\n0.187117 0.565072 0.875433 Si\n0.434928 0.812883 0.124567 Si\n0.315072 0.939639 0.877954 Si\n0.689639 0.311685 0.124567 Si\n0.562883 0.938315 0.877954 Si\n0.688315 0.310361 0.875433 Si\n0.061685 0.437117 0.122046 Si\n0.814665 0.814665 0.000000 O\n0.773570 0.226430 0.000000 O\n0.609686 0.125000 0.984686 O\n0.875000 0.390314 0.015314 O\n0.308116 0.808116 0.500000 O\n0.976430 0.476430 0.952860 O\n0.140314 0.625000 0.015314 O\n0.935335 0.435335 0.500000 O\n0.191884 0.691884 0.500000 O\n0.226430 0.773570 0.000000 O\n0.185335 0.185335 0.000000 O\n0.564665 0.064665 0.500000 O\n0.441884 0.441884 0.000000 O\n0.523570 0.023570 0.047140 O\n0.558116 0.558116 0.000000 O\n0.375000 0.859686 0.984686 O\n",
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"elements": [
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"chemical_system": "O-Si",
"density": 2.080419523576639,
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"volume": 383.6623385182876,
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"formula_full": "Si8 O16",
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"updated_at": "2021-11-28T01:35:11.669000Z",
"spacegroup": 98
},
{
"id": "mp-640556",
"created_at": "2022-09-04T14:46:04.068448Z",
"structure_string": "Si24 O48\n1.0\n2.537206 9.399608 0.000000\n-2.537206 9.399608 0.000000\n0.000000 6.620697 23.262359\nSi O\n24 48\ndirect\n0.025819 0.119353 0.958494 Si\n0.972251 0.872141 0.557905 Si\n0.887510 0.811895 0.853385 Si\n0.852233 0.747351 0.989461 Si\n0.467883 0.366609 0.633052 Si\n0.747351 0.852233 0.489461 Si\n0.520092 0.613249 0.884496 Si\n0.203899 0.320477 0.716957 Si\n0.506852 0.588320 0.191284 Si\n0.103237 0.182280 0.152390 Si\n0.252756 0.148230 0.018268 Si\n0.588320 0.506852 0.691284 Si\n0.613249 0.520092 0.384496 Si\n0.148230 0.252756 0.518268 Si\n0.320477 0.203899 0.216957 Si\n0.483953 0.407291 0.819070 Si\n0.780644 0.663115 0.294530 Si\n0.872141 0.972251 0.057905 Si\n0.119353 0.025819 0.458494 Si\n0.407291 0.483953 0.319070 Si\n0.811895 0.887510 0.353385 Si\n0.182280 0.103237 0.652390 Si\n0.366609 0.467883 0.133052 Si\n0.663115 0.780644 0.794530 Si\n0.153704 0.150960 0.584093 O\n0.889158 0.608791 0.740168 O\n0.003992 0.003810 0.014991 O\n0.505425 0.485759 0.647958 O\n0.077482 0.750581 0.318761 O\n0.266464 0.561768 0.580978 O\n0.207076 0.236198 0.666088 O\n0.415625 0.127278 0.499882 O\n0.749740 0.793315 0.839481 O\n0.239489 0.919329 0.189014 O\n0.874033 0.585116 0.512484 O\n0.057168 0.762333 0.112756 O\n0.156027 0.142466 0.975015 O\n0.142466 0.156027 0.475015 O\n0.919329 0.239489 0.689014 O\n0.089394 0.369235 0.270707 O\n0.858976 0.861831 0.524244 O\n0.723369 0.420477 0.936094 O\n0.150960 0.153704 0.084093 O\n0.777209 0.457376 0.171069 O\n0.635445 0.636209 0.827828 O\n0.762333 0.057168 0.612756 O\n0.369235 0.089394 0.770707 O\n0.561768 0.266464 0.080978 O\n0.341846 0.358962 0.690554 O\n0.236198 0.207076 0.166088 O\n0.457376 0.777209 0.671069 O\n0.836985 0.840374 0.421757 O\n0.585116 0.874033 0.012484 O\n0.420477 0.723369 0.436094 O\n0.358962 0.341846 0.190554 O\n0.861831 0.858976 0.024244 O\n0.003810 0.003992 0.514991 O\n0.473612 0.528075 0.756474 O\n0.485759 0.505425 0.147958 O\n0.481555 0.498455 0.367773 O\n0.793315 0.749740 0.339481 O\n0.538956 0.212254 0.333318 O\n0.127278 0.415625 0.999882 O\n0.218398 0.915644 0.906918 O\n0.915644 0.218398 0.406918 O\n0.840374 0.836985 0.921757 O\n0.750581 0.077482 0.818761 O\n0.212254 0.538956 0.833318 O\n0.636209 0.635445 0.327828 O\n0.608791 0.889158 0.240168 O\n0.498455 0.481555 0.867773 O\n0.528075 0.473612 0.256474 O\n",
"nsites": 72,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Si",
"density": 2.15810277740296,
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"volume": 1109.5559876092213,
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"formula_full": "Si24 O48",
"formula_reduced": "SiO2",
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"energy": -602.72741139,
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"updated_at": "2021-11-28T01:37:21.454000Z",
"spacegroup": 9
},
{
"id": "mp-555556",
"created_at": "2022-09-04T14:45:58.696111Z",
"structure_string": "Si16 O32\n1.0\n9.905082 0.000000 0.000000\n0.000000 9.905082 0.000000\n0.000000 0.000000 8.477564\nSi O\n16 32\ndirect\n0.620831 0.670431 0.312707 Si\n0.829569 0.879169 0.187293 Si\n0.120831 0.829569 0.312707 Si\n0.379169 0.329569 0.312707 Si\n0.170431 0.120831 0.187293 Si\n0.329569 0.620831 0.812707 Si\n0.120831 0.829569 0.687293 Si\n0.329569 0.620831 0.187293 Si\n0.670431 0.379169 0.812707 Si\n0.170431 0.120831 0.812707 Si\n0.379169 0.329569 0.687293 Si\n0.829569 0.879169 0.812707 Si\n0.879169 0.170431 0.312707 Si\n0.879169 0.170431 0.687293 Si\n0.670431 0.379169 0.187293 Si\n0.620831 0.670431 0.687293 Si\n0.853465 0.149928 0.500000 O\n0.682757 0.541266 0.217994 O\n0.693030 0.806970 0.250000 O\n0.182757 0.958734 0.782006 O\n0.649928 0.353465 0.000000 O\n0.646535 0.649928 0.500000 O\n0.041266 0.182757 0.717994 O\n0.458734 0.682757 0.717994 O\n0.817243 0.041266 0.782006 O\n0.317243 0.458734 0.217994 O\n0.350072 0.646535 0.000000 O\n0.146535 0.850072 0.500000 O\n0.458734 0.682757 0.282006 O\n0.817243 0.041266 0.217994 O\n0.353465 0.350072 0.500000 O\n0.193030 0.693030 0.250000 O\n0.850072 0.853465 0.000000 O\n0.806970 0.306970 0.750000 O\n0.182757 0.958734 0.217994 O\n0.306970 0.193030 0.250000 O\n0.149928 0.146535 0.000000 O\n0.693030 0.806970 0.750000 O\n0.306970 0.193030 0.750000 O\n0.541266 0.317243 0.282006 O\n0.958734 0.817243 0.282006 O\n0.958734 0.817243 0.717994 O\n0.806970 0.306970 0.250000 O\n0.193030 0.693030 0.750000 O\n0.317243 0.458734 0.782006 O\n0.041266 0.182757 0.282006 O\n0.541266 0.317243 0.717994 O\n0.682757 0.541266 0.782006 O\n",
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"spacegroup": 135
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{
"id": "mp-673168",
"created_at": "2022-09-04T14:42:00.967368Z",
"structure_string": "Si3 O6\n1.0\n2.677582 4.288133 0.000000\n-2.677582 4.288133 0.000000\n0.000000 1.294353 8.888478\nSi O\n3 6\ndirect\n0.398094 0.061578 0.834983 Si\n0.563561 0.436439 0.000000 Si\n0.938422 0.601906 0.165017 Si\n0.718262 0.859048 0.253713 O\n0.480172 0.717786 0.875233 O\n0.860391 0.382068 0.078671 O\n0.282214 0.519828 0.124767 O\n0.617932 0.139609 0.921329 O\n0.140952 0.281738 0.746287 O\n",
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{
"id": "mp-600052",
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"structure_string": "Si20 O40\n1.0\n4.907653 -13.018760 0.000000\n4.907653 13.018760 0.000000\n0.000000 0.000000 8.476791\nSi O\n20 40\ndirect\n0.847266 0.566114 0.061884 Si\n0.566114 0.847266 0.938116 Si\n0.433886 0.152734 0.438116 Si\n0.152734 0.433886 0.561884 Si\n0.152734 0.433886 0.938116 Si\n0.433886 0.152734 0.061884 Si\n0.566114 0.847266 0.561884 Si\n0.847266 0.566114 0.438116 Si\n0.441243 0.558757 0.059192 Si\n0.558757 0.441243 0.940808 Si\n0.441243 0.558757 0.440808 Si\n0.558757 0.441243 0.559192 Si\n0.277491 0.722509 0.065782 Si\n0.722509 0.277491 0.934218 Si\n0.277491 0.722509 0.434218 Si\n0.722509 0.277491 0.565782 Si\n0.835747 0.164253 0.063773 Si\n0.164253 0.835747 0.936227 Si\n0.835747 0.164253 0.436227 Si\n0.164253 0.835747 0.563773 Si\n0.835077 0.537505 0.250000 O\n0.537505 0.835077 0.750000 O\n0.462495 0.164923 0.250000 O\n0.164923 0.462495 0.750000 O\n0.005836 0.728423 0.018901 O\n0.728423 0.005836 0.981099 O\n0.271577 0.994164 0.481099 O\n0.994164 0.271577 0.518901 O\n0.994164 0.271577 0.981099 O\n0.271577 0.994164 0.018901 O\n0.728423 0.005836 0.518901 O\n0.005836 0.728423 0.481099 O\n0.824721 0.447385 0.969693 O\n0.447385 0.824721 0.030307 O\n0.552615 0.175279 0.530307 O\n0.175279 0.552615 0.469693 O\n0.175279 0.552615 0.030307 O\n0.552615 0.175279 0.969693 O\n0.447385 0.824721 0.469693 O\n0.824721 0.447385 0.530307 O\n0.723269 0.549805 0.008432 O\n0.549805 0.723269 0.991568 O\n0.450195 0.276731 0.491568 O\n0.276731 0.450195 0.508432 O\n0.276731 0.450195 0.991568 O\n0.450195 0.276731 0.008432 O\n0.549805 0.723269 0.508432 O\n0.723269 0.549805 0.491568 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.438460 0.561540 0.250000 O\n0.561540 0.438460 0.750000 O\n0.259956 0.740044 0.250000 O\n0.740044 0.259956 0.750000 O\n0.226405 0.773595 0.956891 O\n0.773595 0.226405 0.043109 O\n0.226405 0.773595 0.543109 O\n0.773595 0.226405 0.456891 O\n0.849279 0.150721 0.250000 O\n0.150721 0.849279 0.750000 O\n",
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"formula_full": "Si20 O40",
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"spacegroup": 63
},
{
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"formula_full": "Si4 O8",
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"updated_at": "2021-11-28T01:34:53.014000Z",
"spacegroup": 40
},
{
"id": "mp-1249332",
"created_at": "2022-09-04T14:40:22.874249Z",
"structure_string": "Si36 O72\n1.0\n13.134541 -0.000076 0.000024\n-6.567336 11.374810 -0.000027\n0.000028 -0.000020 15.333217\nSi O\n36 72\ndirect\n0.997309 0.241008 0.100872 Si\n0.758996 0.764616 0.100870 Si\n0.235390 0.002690 0.100870 Si\n0.997150 0.764519 0.600871 Si\n0.235471 0.240921 0.600867 Si\n0.759073 0.002846 0.600872 Si\n0.758992 0.002691 0.100872 Si\n0.235384 0.241004 0.100870 Si\n0.997310 0.764610 0.100870 Si\n0.235481 0.002850 0.600871 Si\n0.759079 0.764529 0.600867 Si\n0.997154 0.240927 0.600872 Si\n0.997150 0.764521 0.898994 Si\n0.235473 0.240923 0.898994 Si\n0.759074 0.002847 0.898995 Si\n0.997308 0.241006 0.398995 Si\n0.758994 0.764615 0.398992 Si\n0.235391 0.002691 0.398994 Si\n0.235479 0.002850 0.898994 Si\n0.759077 0.764527 0.898994 Si\n0.997153 0.240926 0.898995 Si\n0.758994 0.002692 0.398995 Si\n0.235386 0.241006 0.398991 Si\n0.997309 0.764609 0.398994 Si\n0.088865 0.426499 0.249935 Si\n0.573495 0.670663 0.249930 Si\n0.329338 0.911138 0.249932 Si\n0.905604 0.579037 0.749934 Si\n0.420959 0.334869 0.749930 Si\n0.665127 0.094393 0.749933 Si\n0.573501 0.911135 0.249934 Si\n0.329338 0.426505 0.249930 Si\n0.088862 0.670662 0.249933 Si\n0.420963 0.094396 0.749934 Si\n0.665131 0.579041 0.749930 Si\n0.905607 0.334873 0.749933 Si\n0.870490 0.129510 0.126893 O\n0.870497 0.749302 0.126894 O\n0.250698 0.129503 0.126894 O\n0.123980 0.876020 0.626894 O\n0.123978 0.256251 0.626895 O\n0.743749 0.876022 0.626895 O\n0.123980 0.876020 0.872970 O\n0.123977 0.256251 0.872971 O\n0.743750 0.876023 0.872971 O\n0.870489 0.129511 0.372973 O\n0.870496 0.749301 0.372969 O\n0.250699 0.129504 0.372969 O\n0.023474 0.351464 0.162739 O\n0.648542 0.680319 0.162738 O\n0.319675 0.976527 0.162743 O\n0.971003 0.654077 0.662742 O\n0.345912 0.325218 0.662742 O\n0.674779 0.028997 0.662744 O\n0.648536 0.976526 0.162739 O\n0.319681 0.351458 0.162738 O\n0.023473 0.680325 0.162743 O\n0.345923 0.028997 0.662742 O\n0.674782 0.654088 0.662742 O\n0.971003 0.325221 0.662744 O\n0.971004 0.654079 0.837124 O\n0.345914 0.325218 0.837120 O\n0.674782 0.028997 0.837120 O\n0.023472 0.351462 0.337129 O\n0.648540 0.680318 0.337124 O\n0.319675 0.976527 0.337122 O\n0.345921 0.028996 0.837125 O\n0.674782 0.654085 0.837120 O\n0.971002 0.325218 0.837120 O\n0.648538 0.976528 0.337129 O\n0.319682 0.351460 0.337123 O\n0.023473 0.680325 0.337122 O\n0.097742 0.203796 0.114555 O\n0.796204 0.902258 0.114555 O\n0.097751 0.902249 0.114549 O\n0.896713 0.801716 0.614555 O\n0.198284 0.103287 0.614555 O\n0.896709 0.103291 0.614547 O\n0.896712 0.801715 0.885310 O\n0.198285 0.103288 0.885310 O\n0.896709 0.103291 0.885318 O\n0.097742 0.203797 0.385307 O\n0.796203 0.902258 0.385307 O\n0.097752 0.902248 0.385311 O\n0.997219 0.279571 0.999933 O\n0.720419 0.725955 0.999933 O\n0.274053 0.002790 0.999934 O\n0.997210 0.725947 0.499931 O\n0.274045 0.279582 0.499930 O\n0.720429 0.002781 0.499933 O\n0.720429 0.002782 0.999933 O\n0.274045 0.279581 0.999933 O\n0.997210 0.725947 0.999934 O\n0.274053 0.002790 0.499931 O\n0.720418 0.725954 0.499930 O\n0.997219 0.279571 0.499933 O\n0.226475 0.461248 0.249931 O\n0.538753 0.773525 0.249931 O\n0.226470 0.773530 0.249933 O\n0.768009 0.544324 0.749931 O\n0.455676 0.231991 0.749931 O\n0.768017 0.231983 0.749931 O\n0.079796 0.544047 0.249932 O\n0.455939 0.544061 0.249933 O\n0.455953 0.920204 0.249932 O\n0.914652 0.461477 0.749933 O\n0.538513 0.461487 0.749932 O\n0.538523 0.085348 0.749932 O\n",
"nsites": 108,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.567912134922624,
"density_atomic": 0.04714469959246844,
"volume": 2290.819560493147,
"volume_molar": 12.773738749121357,
"formula_full": "Si36 O72",
"formula_reduced": "SiO2",
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"total_magnetization": 4.02e-05,
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"updated_at": "2021-11-28T01:34:55.498000Z",
"spacegroup": 194
}
]
}