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{
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{
"id": "jvasp-15842",
"created_at": "2022-09-04T14:38:08.610938Z",
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"structure_string": "Si1 Os1\n1.0\n2.975859 -0.000000 0.000000\n-0.000000 2.975859 0.000000\n-0.000000 -0.000000 2.975859\nSi Os\n1 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Os\n",
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{
"id": "jvasp-34674",
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"structure_string": "Si4 O8\n1.0\n4.776527 0.000000 0.000000\n0.000000 5.838264 -0.709773\n0.000000 0.108275 5.880253\nSi O\n4 8\ndirect\n0.362714 0.034367 0.348877 Si\n0.862714 0.965632 0.651123 Si\n0.137287 0.651122 0.965632 Si\n0.637287 0.348877 0.034367 Si\n0.398575 0.479442 0.896724 O\n0.601425 0.896723 0.479443 O\n0.000000 0.733866 0.733867 O\n0.898576 0.520557 0.103276 O\n0.101425 0.103275 0.520557 O\n0.250000 0.872745 0.127255 O\n0.500000 0.266132 0.266132 O\n0.750001 0.127254 0.872745 O\n",
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{
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"structure_string": "Si4 O8\n1.0\n5.171834 -0.172553 -1.496511\n-1.471588 4.961057 -1.496511\n0.070750 0.091558 6.843018\nSi O\n4 8\ndirect\n0.786716 0.792564 0.778589 Si\n0.560183 0.192539 0.620953 Si\n0.807461 0.439817 0.379048 Si\n0.207437 0.213284 0.221412 Si\n0.023323 0.417739 0.254376 O\n0.268484 0.104403 0.426609 O\n0.895596 0.731518 0.573392 O\n0.043308 0.956692 0.000000 O\n0.621241 0.502772 0.786291 O\n0.497228 0.378759 0.213709 O\n0.787007 0.212993 0.500000 O\n0.582262 -0.023322 0.745624 O\n",
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{
"id": "jvasp-34685",
"created_at": "2022-09-04T14:38:12.119657Z",
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"structure_string": "Si4 O8\n1.0\n4.085663 -0.000004 -1.038709\n-0.302392 4.323812 -1.189422\n-0.037208 -0.025592 8.408318\nSi O\n4 8\ndirect\n0.937205 0.187208 0.874415 Si\n0.189163 0.439161 0.378321 Si\n0.310839 0.060836 0.621679 Si\n0.562792 0.312799 0.125586 Si\n0.110609 0.297558 0.742870 O\n0.867739 0.202441 0.257128 O\n0.389389 0.554696 0.257128 O\n0.249999 0.064205 0.000003 O\n0.082023 0.749997 0.500000 O\n0.417979 0.249998 0.500000 O\n0.749998 0.435802 -0.000003 O\n0.632260 0.945306 0.742875 O\n",
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{
"id": "jvasp-57447",
"created_at": "2022-09-04T14:38:33.464340Z",
"updated_at": "2022-09-04T14:38:33.464351Z",
"structure_string": "Si6 O12\n1.0\n4.568097 0.000105 -0.821579\n-0.332101 4.695044 -1.845923\n-0.009359 -0.030966 6.846603\nSi O\n6 12\ndirect\n0.670742 0.691040 0.673335 Si\n0.329259 0.308957 0.326664 Si\n0.750000 0.356627 -0.000000 Si\n0.170741 0.982292 0.673335 Si\n0.250000 0.643371 0.000000 Si\n0.829259 0.017705 0.326664 Si\n0.539201 0.547935 0.850587 O\n0.317768 0.656199 0.517086 O\n0.539699 0.036543 0.818977 O\n0.182232 0.139113 0.482913 O\n0.682232 0.343798 0.482913 O\n0.960301 0.217565 0.181022 O\n0.960800 0.697348 0.149412 O\n0.039699 0.782432 0.818978 O\n0.039200 0.302650 0.850587 O\n0.460301 0.963454 0.181022 O\n0.817768 0.860884 0.517086 O\n0.460800 0.452062 0.149412 O\n",
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{
"id": "jvasp-97720",
"created_at": "2022-09-04T14:36:12.400497Z",
"updated_at": "2022-09-04T14:36:12.400512Z",
"structure_string": "Si12 O24\n1.0\n8.711579 0.000000 -3.080009\n-4.355790 7.544449 -3.080009\n-0.000000 -0.000000 9.240025\nSi O\n12 24\ndirect\n0.249243 0.624622 0.124622 Si\n0.624622 0.500000 0.375378 Si\n0.875378 0.500000 0.124622 Si\n0.875378 0.375378 0.750757 Si\n0.624622 0.124622 0.249243 Si\n0.124622 0.875379 0.500000 Si\n0.500000 0.124622 0.875379 Si\n0.500000 0.375378 0.624622 Si\n0.750757 0.875379 0.375378 Si\n0.375378 0.750757 0.875379 Si\n0.124622 0.249243 0.624622 Si\n0.375378 0.624622 0.500000 Si\n0.262337 0.631169 0.631169 O\n0.368831 0.631169 -0.000000 O\n0.500000 0.912451 0.087549 O\n0.631169 0.000000 0.368831 O\n0.000000 0.631169 0.368831 O\n0.912451 0.087549 0.500000 O\n0.368831 0.737663 0.368831 O\n0.500000 0.587549 0.412451 O\n0.824902 0.412451 0.912451 O\n0.737663 0.368831 0.368831 O\n0.631169 0.368831 -0.000000 O\n0.087549 0.500000 0.912451 O\n0.000000 0.368831 0.631169 O\n0.412451 0.500000 0.587549 O\n0.587549 0.175098 0.087549 O\n0.587549 0.412451 0.500000 O\n0.631169 0.631169 0.262337 O\n0.087549 0.587549 0.175098 O\n0.368831 0.368831 0.737663 O\n0.631169 0.262337 0.631169 O\n0.912451 0.824902 0.412451 O\n0.412451 0.912451 0.824902 O\n0.175098 0.087549 0.587549 O\n0.368831 0.000000 0.631169 O\n",
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{
"id": "jvasp-98532",
"created_at": "2022-09-04T14:35:48.921659Z",
"updated_at": "2022-09-04T14:35:48.921682Z",
"structure_string": "Si24 O48\n1.0\n7.825457 -0.000000 2.664989\n2.589076 11.837656 5.219259\n-0.126374 -0.075677 13.192892\nSi O\n24 48\ndirect\n0.752266 0.623100 0.494138 Si\n0.866176 0.378432 0.269887 Si\n0.485507 0.769887 0.878431 Si\n0.698033 0.235498 0.735497 Si\n0.752266 0.994138 0.123099 Si\n0.130498 0.994138 0.123099 Si\n0.060662 0.377869 0.877869 Si\n0.485507 0.378432 0.269887 Si\n0.133825 0.230113 0.121568 Si\n0.869504 0.376901 0.505862 Si\n0.316399 0.622131 0.122131 Si\n0.866176 0.769887 0.878431 Si\n0.869504 0.005862 0.876900 Si\n0.669028 0.764503 0.264502 Si\n0.133825 0.621568 0.730113 Si\n0.514494 0.621568 0.730113 Si\n0.939340 0.622131 0.122131 Si\n0.330973 0.235498 0.735497 Si\n0.130498 0.623100 0.494138 Si\n0.247735 0.005862 0.876900 Si\n0.683602 0.377869 0.877869 Si\n0.301968 0.764503 0.264502 Si\n0.514494 0.230113 0.121568 Si\n0.247735 0.376901 0.505862 Si\n0.666307 0.640796 0.615879 O\n0.228635 0.900035 0.220286 O\n0.145278 0.297846 0.797846 O\n0.044241 0.368935 0.542585 O\n0.261084 0.000000 -0.000000 O\n0.738917 0.000000 -0.000000 O\n0.848914 0.401087 0.901087 O\n0.876042 0.682516 0.004207 O\n0.240970 0.702154 0.202154 O\n0.738917 0.500000 0.500000 O\n0.123959 0.317484 0.995793 O\n0.331951 0.198060 0.138038 O\n0.044241 0.042585 0.868934 O\n0.485712 0.264288 0.764288 O\n0.922982 0.359204 0.384121 O\n0.666306 0.115879 0.140796 O\n0.077019 0.115879 0.140796 O\n0.000001 0.714321 0.785679 O\n0.854723 0.702154 0.202154 O\n0.437236 0.682516 0.004207 O\n0.651045 0.900035 0.220286 O\n0.331952 0.638038 0.698060 O\n0.261084 0.500000 0.500000 O\n0.668050 0.801940 0.861961 O\n0.651045 0.720286 0.400035 O\n0.771366 0.279714 0.599965 O\n0.228635 0.720286 0.400035 O\n0.500000 0.285679 0.214321 O\n0.077020 0.640796 0.615879 O\n0.514289 0.735712 0.235711 O\n0.151088 0.598913 0.098913 O\n0.876042 0.504207 0.182516 O\n0.348957 0.099965 0.779714 O\n0.668050 0.361962 0.301940 O\n0.333695 0.359204 0.384121 O\n0.123959 0.495793 0.817484 O\n0.437236 0.504207 0.182516 O\n0.955761 0.631066 0.457414 O\n0.348957 0.279714 0.599965 O\n0.333695 0.884121 0.859203 O\n0.955761 0.957415 0.131065 O\n0.771366 0.099965 0.779714 O\n0.500001 0.714321 0.785679 O\n0.000000 0.285679 0.214321 O\n0.922982 0.884121 0.859203 O\n0.562765 0.495793 0.817484 O\n0.759032 0.297846 0.797846 O\n0.562765 0.317484 0.995793 O\n",
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"formula_full": "Si24 O48",
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{
"id": "jvasp-97444",
"created_at": "2022-09-04T14:36:02.034275Z",
"updated_at": "2022-09-04T14:36:02.034305Z",
"structure_string": "Si8 O16\n1.0\n6.677961 -0.560825 0.000000\n-1.079132 6.614013 -0.000000\n-0.000000 0.000000 9.183742\nSi O\n8 16\ndirect\n0.680680 0.927810 0.415382 Si\n0.927811 0.680679 0.915382 Si\n0.319320 0.072189 0.915382 Si\n0.680680 0.927810 0.084618 Si\n0.319320 0.072189 0.584618 Si\n0.072189 0.319320 0.415382 Si\n0.927811 0.680679 0.584618 Si\n0.072189 0.319320 0.084618 Si\n0.500000 -0.000000 0.000000 O\n0.606996 0.859733 0.250000 O\n0.140266 0.393004 0.250000 O\n0.883546 0.116453 0.410641 O\n0.733556 0.733556 0.000000 O\n0.116454 0.883545 0.910641 O\n0.266444 0.266443 0.500000 O\n0.733556 0.733556 0.500000 O\n0.859734 0.606995 0.750000 O\n0.393004 0.140266 0.750000 O\n0.500000 -0.000000 0.500000 O\n0.883546 0.116453 0.089359 O\n0.116454 0.883545 0.589359 O\n0.266444 0.266443 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
"id": "jvasp-90508",
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"structure_string": "Si3 O6\n1.0\n4.903635 -0.722480 -0.141777\n-3.077503 3.885434 0.141777\n-0.049862 0.028788 5.716901\nSi O\n3 6\ndirect\n0.064221 0.533694 0.985606 Si\n0.554364 0.554363 0.666667 Si\n0.533695 0.064220 0.347727 Si\n0.047032 0.567419 0.281266 O\n0.245462 0.392823 0.875810 O\n0.666915 0.928074 0.541781 O\n0.392823 0.245462 0.457522 O\n0.928076 0.666913 0.791552 O\n0.567420 0.047032 0.052068 O\n",
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"volume": 96.18171910445191,
"volume_molar": 6.435776122064341,
"formula_full": "Si3 O6",
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"spacegroup": 5
},
{
"id": "jvasp-88050",
"created_at": "2022-09-04T14:35:50.669391Z",
"updated_at": "2022-09-04T14:35:50.669417Z",
"structure_string": "Si3 O6\n1.0\n5.273615 0.017146 -0.695418\n-0.795361 5.213321 -0.695422\n0.014687 0.017149 5.319248\nSi O\n3 6\ndirect\n0.716509 0.283491 0.500000 Si\n0.499999 0.716510 0.283492 Si\n0.283491 0.499999 0.716510 Si\n0.308451 0.691549 0.500002 O\n0.499998 0.308451 0.691550 O\n0.691551 0.500000 0.308450 O\n0.000002 0.331956 0.668046 O\n0.668046 0.000001 0.331954 O\n0.331954 0.668044 -0.000002 O\n",
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{
"id": "jvasp-97862",
"created_at": "2022-09-04T14:35:53.019091Z",
"updated_at": "2022-09-04T14:35:53.019118Z",
"structure_string": "Si16 O32\n1.0\n8.371167 0.000000 0.000000\n0.000000 9.428439 -0.000000\n0.000000 0.000000 9.459697\nSi O\n16 32\ndirect\n0.313143 0.192207 0.099856 Si\n0.186898 0.899358 0.191827 Si\n0.686858 0.692207 0.400145 Si\n0.313143 0.692207 0.400145 Si\n0.813102 0.399358 0.308173 Si\n0.686858 0.807794 0.900145 Si\n0.813102 0.600642 0.691827 Si\n0.813102 0.899358 0.191827 Si\n0.686858 0.192207 0.099856 Si\n0.686858 0.307793 0.599856 Si\n0.813102 0.100642 0.808174 Si\n0.186898 0.600642 0.691827 Si\n0.313143 0.807794 0.900145 Si\n0.313143 0.307793 0.599856 Si\n0.186898 0.399358 0.308173 Si\n0.186898 0.100642 0.808174 Si\n0.749443 0.846080 0.345426 O\n0.208249 0.429821 0.679232 O\n0.250557 0.653920 0.845427 O\n0.000000 0.640243 0.670752 O\n0.749443 0.346080 0.154574 O\n0.749443 0.653920 0.845427 O\n0.250557 0.846080 0.345426 O\n0.291214 0.318659 0.429522 O\n0.708786 0.318659 0.429522 O\n0.749443 0.153920 0.654574 O\n0.791752 0.929821 0.820768 O\n0.291214 0.681341 0.570479 O\n0.000000 0.359758 0.329249 O\n0.291214 0.818659 0.070478 O\n0.250557 0.153920 0.654574 O\n0.708786 0.181341 0.929522 O\n0.208249 0.570180 0.320768 O\n0.291214 0.181341 0.929522 O\n0.500000 0.330339 0.638772 O\n0.000000 0.140242 0.829249 O\n0.208249 0.929821 0.820768 O\n0.791752 0.570180 0.320768 O\n0.708786 0.818659 0.070478 O\n0.708786 0.681341 0.570479 O\n0.500000 0.169661 0.138772 O\n0.000000 0.859758 0.170752 O\n0.791752 0.429821 0.679232 O\n0.250557 0.346080 0.154574 O\n0.208249 0.070180 0.179232 O\n0.500000 0.669661 0.361228 O\n0.500000 0.830339 0.861228 O\n0.791752 0.070180 0.179232 O\n",
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"formula_full": "Si16 O32",
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{
"id": "jvasp-34291",
"created_at": "2022-09-04T14:37:13.415396Z",
"updated_at": "2022-09-04T14:37:13.415427Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.304160 0.011656\n4.268538 0.000000 0.000000\n0.000000 -4.209095 -6.882113\nSi O\n4 8\ndirect\n0.305855 0.124101 0.880652 Si\n0.016182 0.538715 0.003894 Si\n0.016181 0.461285 0.503893 Si\n0.305856 0.875899 0.380652 Si\n0.980797 0.246210 0.660023 O\n0.340897 0.723954 0.579579 O\n0.340898 0.276046 0.079579 O\n0.661292 0.704977 0.389257 O\n0.142339 0.773389 0.881783 O\n0.142340 0.226611 0.381783 O\n0.980798 0.753790 0.160023 O\n0.661291 0.295024 0.889257 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 3.1615542361865656,
"density_atomic": 0.09506305958762622,
"volume": 126.23199854974968,
"volume_molar": 6.334890530689236,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4890085333333336,
"spacegroup": 7
}
]
}