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{
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"results": [
{
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"structure_string": "Si12 O4\n1.0\n2.107117 9.262449 0.000000\n-2.107117 9.262449 0.000000\n0.000000 2.564524 7.954121\nSi O\n12 4\ndirect\n0.263030 0.132829 0.536488 Si\n0.890587 0.862128 0.162698 Si\n0.736970 0.867171 0.463512 Si\n0.570794 0.529819 0.378082 Si\n0.529819 0.570794 0.878082 Si\n0.470181 0.429206 0.121918 Si\n0.132829 0.263030 0.036488 Si\n0.137872 0.109413 0.337302 Si\n0.109413 0.137872 0.837302 Si\n0.867171 0.736970 0.963512 Si\n0.862128 0.890587 0.662698 Si\n0.429206 0.470181 0.621918 Si\n0.000000 0.500000 0.500000 O\n0.588735 0.411265 0.250000 O\n0.500000 0.000000 0.000000 O\n0.411265 0.588735 0.750000 O\n",
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{
"id": "mp-560708",
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"structure_string": "Si28 O56\n1.0\n8.562994 0.000000 0.000000\n0.000000 12.580356 0.000000\n0.000000 4.178812 14.647087\nSi O\n28 56\ndirect\n0.816139 0.883253 0.218371 Si\n0.685455 0.095321 0.594906 Si\n0.183861 0.883253 0.218371 Si\n0.314545 0.095321 0.594906 Si\n0.184398 0.859576 0.890321 Si\n0.813015 0.512538 0.098246 Si\n0.685528 0.246613 0.913095 Si\n0.815602 0.140424 0.109679 Si\n0.317155 0.706780 0.772415 Si\n0.314545 0.904679 0.405094 Si\n0.314472 0.753387 0.086905 Si\n0.186985 0.512538 0.098246 Si\n0.682845 0.293220 0.227585 Si\n0.183861 0.116747 0.781629 Si\n0.816790 0.861595 0.597759 Si\n0.183210 0.861595 0.597759 Si\n0.815602 0.859576 0.890321 Si\n0.183210 0.138405 0.402241 Si\n0.317155 0.293220 0.227585 Si\n0.813015 0.487462 0.901754 Si\n0.186985 0.487462 0.901754 Si\n0.685528 0.753387 0.086905 Si\n0.685455 0.904679 0.405094 Si\n0.682845 0.706780 0.772415 Si\n0.816139 0.116747 0.781629 Si\n0.184398 0.140424 0.109679 Si\n0.314472 0.246613 0.913095 Si\n0.816790 0.138405 0.402241 Si\n0.771616 0.634371 0.107504 O\n0.241420 0.838258 0.995411 O\n0.273219 0.421418 0.180014 O\n0.228384 0.365629 0.892496 O\n0.760847 0.138610 0.676312 O\n0.228384 0.634371 0.107504 O\n0.000000 0.828717 0.887397 O\n0.713893 0.195910 0.827330 O\n0.713893 0.804090 0.172670 O\n0.000000 0.492619 0.106828 O\n0.239153 0.861390 0.323688 O\n0.786225 0.988210 0.836943 O\n0.000000 0.171283 0.112603 O\n0.500000 0.715878 0.744167 O\n0.286107 0.195910 0.827330 O\n0.213480 0.249688 0.320089 O\n0.726781 0.421418 0.180014 O\n0.752278 0.500000 0.000000 O\n0.213480 0.750312 0.679911 O\n0.726781 0.578582 0.819986 O\n0.715518 0.218694 0.157466 O\n0.770386 0.160437 0.499472 O\n0.786520 0.249688 0.320089 O\n0.229614 0.160437 0.499472 O\n0.715518 0.781306 0.842534 O\n0.284482 0.781306 0.842534 O\n0.500000 0.121713 0.587693 O\n0.758580 0.838258 0.995411 O\n0.247722 0.500000 0.000000 O\n0.500000 0.737866 0.073342 O\n0.500000 0.262134 0.926658 O\n0.286107 0.804090 0.172670 O\n0.288694 0.037917 0.385123 O\n0.288694 0.962083 0.614877 O\n0.241420 0.161742 0.004589 O\n0.000000 0.852489 0.215184 O\n0.771616 0.365629 0.892496 O\n0.273219 0.578582 0.819986 O\n0.000000 0.896263 0.597053 O\n0.758580 0.161742 0.004589 O\n0.000000 0.147511 0.784816 O\n0.786520 0.750312 0.679911 O\n0.711306 0.962083 0.614877 O\n0.239153 0.138610 0.676312 O\n0.786225 0.011790 0.163057 O\n0.213775 0.011790 0.163057 O\n0.711306 0.037917 0.385123 O\n0.500000 0.284122 0.255833 O\n0.000000 0.103737 0.402947 O\n0.500000 0.878287 0.412307 O\n0.229614 0.839563 0.500528 O\n0.213775 0.988210 0.836943 O\n0.000000 0.507381 0.893172 O\n0.284482 0.218694 0.157466 O\n0.770386 0.839563 0.500528 O\n0.760847 0.861390 0.323688 O\n",
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"elements": [
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"density": 1.7705096688882418,
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"formula_full": "Si28 O56",
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"updated_at": "2021-11-28T01:36:20.601000Z",
"spacegroup": 10
},
{
"id": "mp-644923",
"created_at": "2022-09-04T14:43:39.729896Z",
"structure_string": "Si48 O96\n1.0\n-10.160007 10.160007 6.825548\n10.160007 -10.160007 6.825548\n10.160007 10.160007 -6.825548\nSi O\n48 96\ndirect\n0.922545 0.077455 0.000000 Si\n0.941319 0.854449 0.523814 Si\n0.330636 0.417505 0.476186 Si\n0.719978 0.264001 0.698157 Si\n0.582495 0.669364 0.523814 Si\n0.577038 0.431160 0.302973 Si\n0.565844 0.264001 0.544022 Si\n0.145551 0.058681 0.476186 Si\n0.725936 0.871814 0.302973 Si\n0.077455 0.077455 0.154911 Si\n0.692384 0.077184 0.764669 Si\n0.922816 0.687486 0.615201 Si\n0.735999 0.434156 0.455978 Si\n0.978178 0.280022 0.544022 Si\n0.568840 0.871814 0.145878 Si\n0.719978 0.021822 0.455978 Si\n0.072285 0.687486 0.764669 Si\n0.582495 0.058681 0.913130 Si\n0.683212 0.683212 0.366425 Si\n0.577038 0.274064 0.145878 Si\n0.922545 0.922545 0.845089 Si\n0.683212 0.316788 0.000000 Si\n0.077455 0.922545 0.000000 Si\n0.739885 0.673127 0.686313 Si\n0.312514 0.077184 0.384799 Si\n0.316788 0.683212 0.000000 Si\n0.922816 0.307616 0.235331 Si\n0.326873 0.013186 0.066758 Si\n0.735999 0.280022 0.301843 Si\n0.128186 0.274064 0.697027 Si\n0.978178 0.434156 0.698157 Si\n0.725936 0.422962 0.854122 Si\n0.326873 0.260115 0.313687 Si\n0.312514 0.927715 0.235331 Si\n0.072285 0.307616 0.384799 Si\n0.739885 0.053572 0.066758 Si\n0.316788 0.316788 0.633575 Si\n0.986814 0.673127 0.933242 Si\n0.941319 0.417505 0.086870 Si\n0.946428 0.013186 0.686313 Si\n0.692384 0.927715 0.615201 Si\n0.145551 0.669364 0.086870 Si\n0.568840 0.422962 0.697027 Si\n0.986814 0.053572 0.313687 Si\n0.330636 0.854449 0.913130 Si\n0.128186 0.431160 0.854122 Si\n0.946428 0.260115 0.933242 Si\n0.565844 0.021822 0.301843 Si\n0.821809 0.392301 0.057357 O\n0.021265 0.112034 0.090769 O\n0.021751 0.559450 0.704206 O\n0.977354 0.993724 0.779758 O\n0.604024 0.036798 0.818714 O\n0.076592 0.673854 0.001559 O\n0.613017 0.227151 0.614134 O\n0.052455 0.255024 0.598784 O\n0.838268 0.161732 0.500000 O\n0.006276 0.786035 0.983630 O\n0.446200 0.553800 0.500000 O\n0.836869 0.171492 0.162288 O\n0.670405 0.743210 0.299368 O\n0.213965 0.993724 0.016370 O\n0.235548 0.665056 0.057357 O\n0.828508 0.990796 0.665377 O\n0.214690 0.395976 0.432773 O\n0.076592 0.075033 0.402738 O\n0.821809 0.764452 0.429508 O\n0.040155 0.346680 0.306525 O\n0.443842 0.743210 0.072805 O\n0.682455 0.144756 0.704206 O\n0.213965 0.197595 0.220242 O\n0.021751 0.317545 0.462301 O\n0.058757 0.147578 0.704637 O\n0.661732 0.161732 0.323464 O\n0.653320 0.959845 0.693475 O\n0.924967 0.327705 0.001559 O\n0.802405 0.022646 0.016370 O\n0.661732 0.338268 0.500000 O\n0.058757 0.354120 0.911180 O\n0.656240 0.255024 0.202570 O\n0.443842 0.371037 0.700632 O\n0.147352 0.363377 0.783976 O\n0.009204 0.171492 0.334623 O\n0.021265 0.930496 0.909231 O\n0.628963 0.556158 0.299368 O\n0.636623 0.852648 0.216024 O\n0.218084 0.036798 0.432773 O\n0.977354 0.197595 0.983630 O\n0.235548 0.178191 0.570492 O\n0.214690 0.781916 0.818714 O\n0.546329 0.343760 0.598784 O\n0.656240 0.453671 0.401216 O\n0.256790 0.556158 0.927195 O\n0.326146 0.327705 0.402738 O\n0.613017 0.998883 0.385866 O\n0.052455 0.453671 0.797430 O\n0.887966 0.978735 0.909231 O\n0.546329 0.947545 0.202570 O\n0.628963 0.329595 0.072805 O\n0.963202 0.781916 0.567227 O\n0.009204 0.674581 0.837712 O\n0.772849 0.386983 0.385866 O\n0.852422 0.557059 0.911180 O\n0.442941 0.354120 0.295363 O\n0.645880 0.941243 0.088820 O\n0.672295 0.075033 0.998441 O\n0.604024 0.785310 0.567227 O\n0.053800 0.946200 0.500000 O\n0.802405 0.786035 0.779758 O\n0.828508 0.163131 0.837712 O\n0.852422 0.941243 0.295363 O\n0.006276 0.022646 0.220242 O\n0.040155 0.733630 0.693475 O\n0.326146 0.923408 0.998441 O\n0.645880 0.557059 0.704637 O\n0.325419 0.990796 0.162288 O\n0.682455 0.978249 0.537699 O\n0.440550 0.978249 0.295794 O\n0.325419 0.163131 0.334623 O\n0.334944 0.392301 0.570492 O\n0.924967 0.923408 0.597262 O\n0.218084 0.785310 0.181286 O\n0.053800 0.553800 0.107600 O\n0.744976 0.947545 0.401216 O\n0.579401 0.363377 0.216024 O\n0.256790 0.329595 0.700632 O\n0.744976 0.343760 0.797430 O\n0.838268 0.338268 0.676536 O\n0.963202 0.395976 0.181286 O\n0.266370 0.959845 0.306525 O\n0.672295 0.673854 0.597262 O\n0.670405 0.371037 0.927195 O\n0.607699 0.178191 0.942643 O\n0.607699 0.665056 0.429508 O\n0.855244 0.317545 0.295794 O\n0.440550 0.144756 0.462301 O\n0.855244 0.559450 0.537699 O\n0.636623 0.420599 0.783976 O\n0.442941 0.147578 0.088820 O\n0.001117 0.386983 0.614134 O\n0.334944 0.764452 0.942643 O\n0.446200 0.946200 0.892400 O\n0.836869 0.674581 0.665377 O\n0.069504 0.978735 0.090769 O\n",
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"volume": 2818.289033980328,
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"formula_full": "Si48 O96",
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"updated_at": "2021-11-28T01:36:20.874000Z",
"spacegroup": 119
},
{
"id": "mp-667377",
"created_at": "2022-09-04T14:43:51.868107Z",
"structure_string": "Si56 O112\n1.0\n4.244734 -12.530545 0.000000\n4.244734 12.530545 0.000000\n0.000000 0.000000 29.206762\nSi O\n56 112\ndirect\n0.418355 0.957208 0.549722 Si\n0.840062 0.793927 0.606261 Si\n0.201780 0.426067 0.454068 Si\n0.042792 0.581645 0.549722 Si\n0.340062 0.293927 0.893739 Si\n0.918355 0.457208 0.950278 Si\n0.263847 0.107982 0.051001 Si\n0.641428 0.992490 0.605950 Si\n0.926067 0.701780 0.954068 Si\n0.392018 0.236153 0.448999 Si\n0.858572 0.507510 0.105950 Si\n0.962014 0.676390 0.200350 Si\n0.507510 0.858572 0.894050 Si\n0.194774 0.167005 0.200296 Si\n0.892018 0.736153 0.051001 Si\n0.537986 0.823610 0.700350 Si\n0.793927 0.840062 0.393739 Si\n0.107982 0.263847 0.948999 Si\n0.176390 0.462014 0.700350 Si\n0.805226 0.832995 0.799704 Si\n0.798220 0.573933 0.545932 Si\n0.206073 0.159938 0.606261 Si\n0.426067 0.201780 0.545932 Si\n0.659938 0.706073 0.106261 Si\n0.457208 0.918355 0.049722 Si\n0.823610 0.537986 0.299650 Si\n0.293927 0.340062 0.106261 Si\n0.706073 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"id": "mp-555355",
"created_at": "2022-09-04T14:44:16.735196Z",
"structure_string": "Si12 O24\n1.0\n6.373450 -11.039139 0.000000\n6.373450 11.039139 0.000000\n0.000000 0.000000 3.775070\nSi O\n12 24\ndirect\n0.141882 0.455302 0.345412 Si\n0.686580 0.141882 0.345412 Si\n0.455302 0.141882 0.654588 Si\n0.686580 0.544698 0.654588 Si\n0.858118 0.544698 0.345412 Si\n0.544698 0.858118 0.654588 Si\n0.455302 0.313420 0.345412 Si\n0.141882 0.686580 0.654588 Si\n0.544698 0.686580 0.345412 Si\n0.313420 0.858118 0.345412 Si\n0.858118 0.313420 0.654588 Si\n0.313420 0.455302 0.654588 Si\n0.754383 0.508766 0.000000 O\n0.821035 0.642070 0.500000 O\n0.591568 0.408432 0.500000 O\n0.613940 0.000000 0.500000 O\n0.821035 0.178965 0.500000 O\n0.408432 0.816865 0.500000 O\n0.245617 0.754383 0.000000 O\n0.178965 0.357930 0.500000 O\n0.491234 0.245617 0.000000 O\n0.754383 0.245617 0.000000 O\n0.408432 0.591568 0.500000 O\n0.000000 0.613940 0.500000 O\n0.183135 0.591568 0.500000 O\n0.357930 0.178965 0.500000 O\n0.386060 0.386060 0.500000 O\n0.642070 0.821035 0.500000 O\n0.508766 0.754383 0.000000 O\n0.000000 0.386060 0.500000 O\n0.178965 0.821035 0.500000 O\n0.386060 0.000000 0.500000 O\n0.816865 0.408432 0.500000 O\n0.245617 0.491234 0.000000 O\n0.591568 0.183135 0.500000 O\n0.613940 0.613940 0.500000 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.253858047171215,
"density_atomic": 0.06777003518963022,
"volume": 531.2082235056669,
"volume_molar": 8.886140818946297,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -272.93609255,
"energy_per_atom": -7.581558126388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.44809255,
"band_gap": 1.1266,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.935000Z",
"spacegroup": 177
}
]
}