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{
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{
"id": "jvasp-37212",
"created_at": "2022-09-04T14:37:53.249409Z",
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"structure_string": "Si3 B12\n1.0\n3.117275 1.799760 4.182100\n-3.117275 1.799760 4.182100\n0.000000 -3.599519 4.182100\nSi B\n3 12\ndirect\n0.327420 0.327420 0.327420 Si\n0.672580 0.672580 0.672580 Si\n0.500000 0.500000 0.500000 Si\n0.823745 0.274226 0.823746 B\n0.823746 0.823746 0.274225 B\n0.274226 0.823745 0.823746 B\n0.725774 0.176254 0.176254 B\n0.176254 0.176254 0.725776 B\n0.176254 0.725774 0.176254 B\n0.985919 0.677526 0.985920 B\n0.985920 0.985920 0.677525 B\n0.677526 0.985919 0.985920 B\n0.322474 0.014081 0.014080 B\n0.014080 0.014080 0.322475 B\n0.014081 0.322474 0.014080 B\n",
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{
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"structure_string": "Si3 F1\n1.0\n-2.140379 2.140379 3.027150\n2.140379 -2.140379 3.027150\n2.140379 2.140379 -3.027150\nSi F\n3 1\ndirect\n0.749998 0.249999 0.499999 Si\n0.249999 0.749998 0.499999 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:37:55.837105Z",
"structure_string": "Si3 Ge1\n1.0\n-0.000000 3.224091 3.224091\n3.224091 0.000000 3.224091\n3.224091 3.224091 0.000000\nSi Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.250001 0.250001 0.250001 Si\n0.750000 0.750000 0.750000 Ge\n",
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{
"id": "jvasp-37213",
"created_at": "2022-09-04T14:37:53.460948Z",
"updated_at": "2022-09-04T14:37:53.460979Z",
"structure_string": "Si3 H1\n1.0\n0.000000 2.945761 2.945761\n2.945761 -0.000000 2.945761\n2.945761 2.945761 0.000000\nSi H\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500001 0.500001 0.500001 Si\n0.249999 0.249999 0.249999 Si\n0.749999 0.749999 0.749999 H\n",
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"elements": [
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"density": 2.769456331166942,
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"volume": 51.123728516099504,
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"formula_full": "Si3 H1",
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"spacegroup": 225
},
{
"id": "jvasp-2790",
"created_at": "2022-09-04T14:36:46.525550Z",
"updated_at": "2022-09-04T14:36:46.525577Z",
"structure_string": "Si3 Ni1 P4\n1.0\n4.770924 -0.000000 -2.128604\n-0.949702 4.675444 -2.128604\n-0.001109 -0.001357 6.408445\nSi Ni P\n3 1 4\ndirect\n0.250000 0.749999 0.500001 Si\n0.500000 0.500000 0.000000 Si\n0.749999 0.249999 0.500001 Si\n0.000000 0.000000 0.000000 Ni\n0.639805 0.123040 0.762846 P\n0.123041 0.639804 0.762846 P\n0.876959 0.876958 0.237156 P\n0.360194 0.360194 0.237155 P\n",
"nsites": 8,
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"elements": [
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"density": 3.1003719946399038,
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"volume": 142.92041782241378,
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"formula_full": "Si3 Ni1 P4",
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"formula_anonymous": "AB3C4",
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"spacegroup": 121
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{
"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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"volume": 122.53795352218609,
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"formula_full": "Si3 O6",
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"spacegroup": 154
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{
"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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"volume": 146.4403285894097,
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"formula_full": "Si3 O6",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 155
},
{
"id": "jvasp-90508",
"created_at": "2022-09-04T14:35:56.509636Z",
"updated_at": "2022-09-04T14:35:56.509669Z",
"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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"elements": [
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"density_atomic": 0.09357287521785854,
"volume": 96.18171910445191,
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"formula_full": "Si3 O6",
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"spacegroup": 5
},
{
"id": "jvasp-34219",
"created_at": "2022-09-04T14:37:14.978357Z",
"updated_at": "2022-09-04T14:37:14.978372Z",
"structure_string": "Si3 O6\n1.0\n2.468672 -4.275866 0.000000\n2.468672 4.275866 -0.000000\n0.000000 0.000000 5.449193\nSi O\n3 6\ndirect\n-0.000000 0.465518 0.333333 Si\n0.534482 0.534482 0.000000 Si\n0.465518 -0.000000 0.666667 Si\n0.137430 0.725521 0.552806 O\n0.588090 0.862569 0.886139 O\n0.274478 0.411909 0.219473 O\n0.411909 0.274478 0.780526 O\n0.862569 0.588090 0.113860 O\n0.725521 0.137430 0.447193 O\n",
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"volume": 115.04020938545551,
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{
"id": "jvasp-41",
"created_at": "2022-09-04T14:37:45.108644Z",
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"structure_string": "Si3 O6\n1.0\n2.468628 -4.275790 0.000000\n2.468628 4.275790 0.000000\n0.000000 0.000000 5.449313\nSi O\n3 6\ndirect\n0.534491 0.000000 0.666667 Si\n0.000000 0.534491 0.333333 Si\n0.465509 0.465509 0.000000 Si\n0.274478 0.862591 0.447197 O\n0.588114 0.725523 0.780530 O\n0.137410 0.411887 0.113864 O\n0.411887 0.137410 0.886135 O\n0.725523 0.588114 0.219469 O\n0.862591 0.274478 0.552802 O\n",
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{
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"created_at": "2022-09-04T14:37:40.894074Z",
"updated_at": "2022-09-04T14:37:40.894094Z",
"structure_string": "Si3 O6\n1.0\n2.550835 -4.418176 -0.000000\n2.550835 4.418176 0.000000\n-0.000000 0.000000 5.595124\nSi O\n3 6\ndirect\n0.499999 0.499999 0.833332 Si\n0.500000 -0.000001 0.500000 Si\n-0.000001 0.500000 0.166667 Si\n0.415923 0.207962 0.666666 O\n0.207962 0.415923 0.000000 O\n0.207961 0.792037 0.333333 O\n0.584075 0.792037 0.666666 O\n0.792037 0.584075 0.000000 O\n0.792037 0.207961 0.333333 O\n",
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"formula_full": "Si3 O6",
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"spacegroup": 180
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{
"id": "jvasp-58349",
"created_at": "2022-09-04T14:37:36.448886Z",
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"structure_string": "Si3 O6\n1.0\n2.468845 -4.276166 0.000000\n2.468845 4.276166 -0.000000\n0.000000 -0.000000 5.449830\nSi O\n3 6\ndirect\n0.465589 0.465589 0.000000 Si\n0.534413 0.000000 0.333333 Si\n0.000000 0.534413 0.666667 Si\n0.588091 0.725622 0.219406 O\n0.137532 0.411911 0.886073 O\n0.274380 0.862470 0.552739 O\n0.725622 0.588091 0.780594 O\n0.862470 0.274380 0.447261 O\n0.411911 0.137532 0.113928 O\n",
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