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{
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"results": [
{
"id": "jvasp-51622",
"created_at": "2022-09-04T14:38:34.309986Z",
"updated_at": "2022-09-04T14:38:34.310011Z",
"structure_string": "Si3 O6\n1.0\n2.285250 -3.958168 0.000000\n2.285250 3.958168 -0.000000\n0.000000 -0.000000 6.773493\nSi O\n3 6\ndirect\n0.915155 -0.000000 0.666667 Si\n0.084845 0.084845 0.000000 Si\n-0.000000 0.915155 0.333333 Si\n0.119014 0.462566 0.921019 O\n0.537434 0.656448 0.587686 O\n0.462566 0.119014 0.078981 O\n0.343552 0.880986 0.254353 O\n0.880986 0.343552 0.745646 O\n0.656448 0.537434 0.412314 O\n",
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{
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"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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"spacegroup": 15
},
{
"id": "jvasp-57816",
"created_at": "2022-09-04T14:38:31.246015Z",
"updated_at": "2022-09-04T14:38:31.246046Z",
"structure_string": "Si8 O16\n1.0\n3.879735 0.000000 0.000000\n0.000000 8.699506 0.000000\n0.000000 0.000000 9.865029\nSi O\n8 16\ndirect\n0.343093 0.325127 0.608076 Si\n0.656906 0.674873 0.608076 Si\n0.343093 0.825127 0.891924 Si\n0.656906 0.174873 0.891924 Si\n0.343093 0.174873 0.108076 Si\n0.656906 0.825127 0.108076 Si\n0.343093 0.674873 0.391924 Si\n0.656906 0.325127 0.391924 Si\n0.499999 0.250000 0.750000 O\n0.499999 0.250000 0.250000 O\n0.499999 0.500000 0.633902 O\n0.499999 0.750000 0.750000 O\n0.000000 0.644680 0.500000 O\n0.499999 0.699420 0.000000 O\n0.499999 0.000000 0.866098 O\n0.499999 0.500000 0.366098 O\n0.499999 0.000000 0.133902 O\n0.000000 0.144680 0.000000 O\n0.000000 0.855321 0.000000 O\n0.499999 0.300580 0.000000 O\n0.499999 0.750000 0.250000 O\n0.000000 0.355320 0.500000 O\n0.499999 0.199420 0.500000 O\n0.499999 0.800581 0.500000 O\n",
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"density": 2.3972044176842497,
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"volume": 332.96226789268655,
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"formula_full": "Si8 O16",
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"spacegroup": 50
},
{
"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",
"nsites": 48,
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"density": 2.138095298474653,
"density_atomic": 0.06428922788561177,
"volume": 746.6258590849031,
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"formula_full": "Si16 O32",
"formula_reduced": "SiO2",
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"spacegroup": 135
},
{
"id": "jvasp-99099",
"created_at": "2022-09-04T14:36:19.143535Z",
"updated_at": "2022-09-04T14:36:19.143576Z",
"structure_string": "Si12 O24\n1.0\n12.732535 0.000000 0.000000\n-6.366268 11.026699 -0.000000\n0.000000 0.000000 3.782341\nSi O\n12 24\ndirect\n0.141909 0.455724 0.342460 Si\n0.858091 0.313815 0.657540 Si\n0.313815 0.858091 0.342460 Si\n0.544276 0.686185 0.342460 Si\n0.141909 0.686185 0.657540 Si\n0.455725 0.313815 0.342460 Si\n0.313815 0.455724 0.657540 Si\n0.858091 0.544276 0.342460 Si\n0.686185 0.544276 0.657540 Si\n0.455725 0.141909 0.657540 Si\n0.686185 0.141909 0.342460 Si\n0.544276 0.858091 0.657540 Si\n0.184017 0.592009 0.500000 O\n0.245850 0.491700 0.000000 O\n0.815983 0.407991 0.500000 O\n0.387301 -0.000000 0.500000 O\n0.179540 0.820460 0.500000 O\n-0.000000 0.387301 0.500000 O\n0.508300 0.754150 0.000000 O\n0.640920 0.820460 0.500000 O\n0.387301 0.387301 0.500000 O\n0.359080 0.179540 0.500000 O\n-0.000000 0.612699 0.500000 O\n0.407991 0.815983 0.500000 O\n0.754150 0.245850 0.000000 O\n0.491700 0.245850 0.000000 O\n0.179540 0.359080 0.500000 O\n0.245850 0.754150 0.000000 O\n0.592009 0.184017 0.500000 O\n0.820460 0.179540 0.500000 O\n0.612699 -0.000000 0.500000 O\n0.592009 0.407991 0.500000 O\n0.820460 0.640920 0.500000 O\n0.754150 0.508300 0.000000 O\n0.407991 0.592009 0.500000 O\n0.612699 0.612699 0.500000 O\n",
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"elements": [
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"density": 2.254603986907889,
"density_atomic": 0.06779246444699503,
"volume": 531.0324723206863,
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"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 177
},
{
"id": "jvasp-34375",
"created_at": "2022-09-04T14:37:19.248166Z",
"updated_at": "2022-09-04T14:37:19.248189Z",
"structure_string": "Si8 O16\n1.0\n8.225999 0.000000 0.000000\n-0.000000 8.225999 0.000000\n0.000000 0.000000 5.563821\nSi O\n8 16\ndirect\n0.313431 0.931221 0.500000 Si\n0.686569 0.931221 0.000000 Si\n0.686569 0.068780 0.500000 Si\n0.931221 0.686569 0.000000 Si\n0.931221 0.313431 0.500000 Si\n0.313431 0.068780 0.000000 Si\n0.068780 0.313431 0.000000 Si\n0.068780 0.686569 0.500000 Si\n0.764162 0.000000 0.250000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.235838 0.250000 O\n0.764162 0.000000 0.750000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.764162 0.250000 O\n0.000000 0.764162 0.750000 O\n0.733716 0.266284 0.500000 O\n0.235838 0.000000 0.750000 O\n0.266284 0.266284 0.000000 O\n0.500000 0.000000 0.500000 O\n0.235838 0.000000 0.250000 O\n0.733716 0.733716 0.000000 O\n0.266284 0.733716 0.500000 O\n0.000000 0.235838 0.750000 O\n0.000000 0.500000 0.000000 O\n",
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"density": 2.1200672448550533,
"density_atomic": 0.06374715211924566,
"volume": 376.4874069214184,
"volume_molar": 9.446917328534083,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4564152000000004,
"spacegroup": 132
},
{
"id": "jvasp-34584",
"created_at": "2022-09-04T14:37:17.061284Z",
"updated_at": "2022-09-04T14:37:17.061305Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.330307 -0.002258\n4.254087 0.000000 0.000000\n0.000000 -0.518344 -7.930356\nSi O\n4 8\ndirect\n0.554106 0.417150 0.805349 Si\n0.862326 0.010323 0.321456 Si\n0.137675 0.010323 0.678544 Si\n0.445896 0.417150 0.194652 Si\n0.500000 0.329569 0.000000 O\n0.372380 0.771070 0.793909 O\n0.000000 0.850586 0.500000 O\n0.891372 0.225266 0.785461 O\n0.375088 0.282955 0.633676 O\n0.624914 0.282955 0.366325 O\n0.627622 0.771070 0.206092 O\n0.108629 0.225266 0.214540 O\n",
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"elements": [
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"density": 2.73172863490787,
"density_atomic": 0.08213886670838925,
"volume": 146.09405365431442,
"volume_molar": 7.331657960877282,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5195852000000003,
"spacegroup": 3
},
{
"id": "jvasp-34650",
"created_at": "2022-09-04T14:37:19.332917Z",
"updated_at": "2022-09-04T14:37:19.332933Z",
"structure_string": "Si4 O8\n1.0\n-5.179253 -0.004868 0.091283\n0.682957 5.488951 -0.097670\n0.044482 -2.205989 -6.071411\nSi O\n4 8\ndirect\n0.684892 0.769790 0.748565 Si\n0.947018 0.301885 0.797792 Si\n0.842450 0.900592 0.351753 Si\n0.312921 0.735862 0.045275 Si\n0.952851 0.182756 0.530471 O\n0.830156 0.063196 0.879915 O\n0.758822 0.704342 0.492976 O\n0.571822 0.872396 0.208058 O\n0.075344 0.845315 0.188599 O\n0.221700 0.420607 0.949551 O\n0.377850 0.791833 0.811784 O\n0.771546 0.538900 0.831643 O\n",
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"volume": 173.5380531987322,
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"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
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"spacegroup": 1
},
{
"id": "jvasp-34491",
"created_at": "2022-09-04T14:37:19.830923Z",
"updated_at": "2022-09-04T14:37:19.830945Z",
"structure_string": "Si8 O16\n1.0\n4.805242 0.000000 1.129147\n2.402620 7.601787 0.564574\n0.009096 0.000000 10.750546\nSi O\n8 16\ndirect\n0.886425 0.379843 0.615971 Si\n0.113575 0.620157 0.384029 Si\n0.382239 0.120157 0.884030 Si\n0.497604 0.120157 0.615971 Si\n0.617761 0.879843 0.115971 Si\n0.502396 0.879843 0.384029 Si\n0.266268 0.620157 0.115971 Si\n0.733732 0.379843 0.884030 Si\n0.500000 -0.000000 0.500000 O\n0.423012 0.750000 0.153975 O\n0.038162 0.250000 0.923676 O\n0.498729 0.002542 0.750000 O\n0.500000 0.500000 -0.000000 O\n0.826987 0.750000 0.346025 O\n0.173013 0.250000 0.653976 O\n0.248729 0.502543 0.250000 O\n0.961838 0.750000 0.076324 O\n0.501271 0.997458 0.250000 O\n0.000000 0.500000 0.500000 O\n0.711838 0.250000 0.576324 O\n0.576988 0.250000 0.846025 O\n0.288162 0.750000 0.423676 O\n0.751271 0.497458 0.750000 O\n0.500000 -0.000000 0.000000 O\n",
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"elements": [
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"density_atomic": 0.061127426617657334,
"volume": 392.6224499865881,
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"formula_full": "Si8 O16",
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"spacegroup": 70
},
{
"id": "jvasp-34454",
"created_at": "2022-09-04T14:37:10.234979Z",
"updated_at": "2022-09-04T14:37:10.235006Z",
"structure_string": "Si4 O8\n1.0\n4.778095 0.000000 1.828704\n1.926448 6.440573 2.123047\n0.043719 -0.321925 7.042299\nSi O\n4 8\ndirect\n0.593101 0.257948 0.556519 Si\n0.407570 0.742050 0.443481 Si\n0.907570 0.943480 0.242051 Si\n0.093101 0.056519 0.757949 Si\n0.765609 0.148579 0.729798 O\n0.068299 -0.000000 -0.000000 O\n0.265608 0.229798 0.648580 O\n0.643986 0.851420 0.270201 O\n0.276861 0.848065 0.651934 O\n0.776861 0.151933 0.348066 O\n0.568300 0.499999 0.500000 O\n0.143985 0.770201 0.351421 O\n",
"nsites": 12,
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"elements": [
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"density": 1.8278843851563766,
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"volume": 218.33400022349616,
"volume_molar": 10.956984016998044,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
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"spacegroup": 46
},
{
"id": "jvasp-34484",
"created_at": "2022-09-04T14:37:19.005725Z",
"updated_at": "2022-09-04T14:37:19.005755Z",
"structure_string": "Si4 O8\n1.0\n4.526860 0.000000 1.467756\n2.263429 4.749201 0.733878\n-0.030794 -0.000000 7.809734\nSi O\n4 8\ndirect\n0.061911 0.250000 0.876178 Si\n0.311911 0.750000 0.376179 Si\n0.938090 0.750000 0.123822 Si\n0.688091 0.250000 0.623821 Si\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.500001 0.500000 0.500000 O\n0.439314 0.121374 0.750000 O\n0.810688 0.378626 0.750000 O\n0.189314 0.621374 0.250000 O\n0.560688 0.878626 0.250000 O\n",
"nsites": 12,
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"elements": [
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"density": 2.3738942345252365,
"density_atomic": 0.07137933820284396,
"volume": 168.11587641648777,
"volume_molar": 8.436812264757114,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 70
},
{
"id": "jvasp-78526",
"created_at": "2022-09-04T14:37:12.140293Z",
"updated_at": "2022-09-04T14:37:12.140302Z",
"structure_string": "Si2 O1\n1.0\n-2.304434 -2.989415 0.889980\n-1.436692 2.488423 -0.000000\n0.834756 0.481948 -4.563646\nSi O\n2 1\ndirect\n0.703510 0.351754 0.932809 Si\n0.426913 0.713455 0.214135 Si\n0.536175 0.268087 0.513057 O\n",
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"elements": [
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"volume": 43.30514015288283,
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"formula_full": "Si2 O1",
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"formula_anonymous": "AB2",
"energy_above_hull": 2.348370233333333,
"spacegroup": 8
}
]
}