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{
"id": "jvasp-123708",
"created_at": "2022-09-04T14:38:53.012578Z",
"updated_at": "2022-09-04T14:38:53.012608Z",
"structure_string": "Si1 Se2\n1.0\n0.967977 -3.461676 -0.077334\n2.513911 4.354222 -0.000000\n0.152573 -0.088088 5.864665\nSi Se\n1 2\ndirect\n-0.000000 0.166677 0.166667 Si\n0.500045 0.666683 0.419399 Se\n0.499955 0.166638 0.913933 Se\n",
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{
"id": "jvasp-8514",
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"structure_string": "Si2 Se4\n1.0\n8.633196 0.000000 -4.334466\n-1.399032 5.053887 -2.786529\n-2.486381 -0.967224 5.812578\nSi Se\n2 4\ndirect\n0.249983 0.250001 0.500001 Si\n0.750019 0.750001 0.500001 Si\n0.624714 0.281376 0.000577 Se\n0.124137 0.218625 -0.000577 Se\n0.375287 0.718625 -0.000577 Se\n0.875864 0.781376 0.000577 Se\n",
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{
"id": "jvasp-103216",
"created_at": "2022-09-04T14:36:46.236728Z",
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"structure_string": "Si2 Se4\n1.0\n5.586455 0.084130 -3.135383\n-1.099794 5.094231 -3.726318\n-0.632049 -0.084130 6.374921\nSi Se\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.904959 0.624219 0.280740 Se\n0.343480 0.124219 0.219261 Se\n0.095042 0.375781 0.719261 Se\n0.656521 0.875781 0.780739 Se\n",
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},
{
"id": "jvasp-37216",
"created_at": "2022-09-04T14:37:56.941168Z",
"updated_at": "2022-09-04T14:37:56.941197Z",
"structure_string": "Si3 Se1\n1.0\n-0.000000 3.273125 3.273125\n3.273125 -0.000000 3.273125\n3.273125 3.273125 0.000000\nSi Se\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.249999 0.249999 0.249999 Si\n0.749998 0.749998 0.749998 Se\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Se-Si",
"density": 3.8645184825908383,
"density_atomic": 0.057035101916353255,
"volume": 70.13224953759764,
"volume_molar": 10.558656963271446,
"formula_full": "Si3 Se1",
"formula_reduced": "Si3Se",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-32747",
"created_at": "2022-09-04T14:36:30.741305Z",
"updated_at": "2022-09-04T14:36:30.741331Z",
"structure_string": "Si2 Se4\n1.0\n5.665409 0.000000 -2.844430\n-1.298623 4.684534 -2.586538\n-0.138284 0.473749 6.788843\nSi Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 -0.000000 0.000000 Si\n0.142364 0.406131 0.284727 Se\n0.357637 0.121404 0.715273 Se\n0.857637 0.593868 0.715273 Se\n0.642364 0.878595 0.284726 Se\n",
"nsites": 6,
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"volume": 187.0241072533925,
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"formula_full": "Si2 Se4",
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},
{
"id": "jvasp-25090",
"created_at": "2022-09-04T14:37:41.803039Z",
"updated_at": "2022-09-04T14:37:41.803060Z",
"structure_string": "Se2\n1.0\n3.877363 -0.000000 2.238597\n1.292454 3.655613 2.238597\n-0.000000 -0.000000 4.477193\nSe\n2\ndirect\n0.874999 0.874999 0.875002 Se\n0.125000 0.125000 0.125000 Se\n",
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"elements": [
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{
"id": "jvasp-25189",
"created_at": "2022-09-04T14:38:30.311813Z",
"updated_at": "2022-09-04T14:38:30.311844Z",
"structure_string": "Se32\n1.0\n8.115828 0.000000 0.000000\n0.000000 9.225852 -0.374265\n0.000000 0.196291 13.008826\nSe\n32\ndirect\n0.691912 0.558107 0.413960 Se\n0.022795 0.336392 0.213480 Se\n0.522795 0.663607 0.286520 Se\n0.256997 0.633253 0.837896 Se\n0.756997 0.366747 0.662104 Se\n0.743003 0.366747 0.162104 Se\n0.243003 0.633253 0.337896 Se\n0.345974 0.860926 0.905361 Se\n0.845974 0.139074 0.594640 Se\n0.654026 0.139074 0.094640 Se\n0.154026 0.860926 0.405361 Se\n0.334965 0.842894 0.089013 Se\n0.834965 0.157105 0.410987 Se\n0.665035 0.157105 0.910988 Se\n0.165035 0.842894 0.589013 Se\n0.084506 0.954786 0.144296 Se\n0.584506 0.045214 0.355704 Se\n0.915494 0.045214 0.855704 Se\n0.415494 0.954786 0.644296 Se\n0.898201 0.760367 0.169389 Se\n0.398201 0.239633 0.330612 Se\n0.101799 0.239633 0.830612 Se\n0.601799 0.760367 0.669389 Se\n0.722810 0.754827 0.021796 Se\n0.222809 0.245173 0.478204 Se\n0.277191 0.245173 0.978205 Se\n0.777191 0.754827 0.521796 Se\n0.808088 0.558107 0.913960 Se\n0.308088 0.441892 0.586040 Se\n0.191912 0.441892 0.086040 Se\n0.477205 0.336392 0.713480 Se\n0.977205 0.663607 0.786521 Se\n",
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"spacegroup": 14
},
{
"id": "jvasp-14602",
"created_at": "2022-09-04T14:36:42.478957Z",
"updated_at": "2022-09-04T14:36:42.478984Z",
"structure_string": "Se1\n1.0\n2.831476 -0.000000 -1.001078\n-1.415739 2.452131 -1.001078\n0.000000 0.000000 3.003234\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
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},
{
"id": "jvasp-25331",
"created_at": "2022-09-04T14:37:54.986712Z",
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"structure_string": "Se1\n1.0\n2.841104 -0.000000 0.000000\n-0.000000 2.841104 0.000000\n0.000000 -0.000000 2.841104\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
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},
{
"id": "jvasp-25043",
"created_at": "2022-09-04T14:38:14.822295Z",
"updated_at": "2022-09-04T14:38:14.822317Z",
"structure_string": "Se3\n1.0\n4.236454 -0.000000 -0.000000\n-2.118227 3.668877 0.000000\n-0.000000 0.000000 5.131578\nSe\n3\ndirect\n0.237168 0.000000 0.333333 Se\n-0.000000 0.237168 0.666667 Se\n0.762831 0.762833 0.000000 Se\n",
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},
{
"id": "jvasp-25137",
"created_at": "2022-09-04T14:38:16.712108Z",
"updated_at": "2022-09-04T14:38:16.712127Z",
"structure_string": "Se1\n1.0\n2.831476 -0.000000 -1.001078\n-1.415739 2.452131 -1.001078\n0.000000 0.000000 3.003234\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-14915",
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}