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{
"id": "jvasp-116708",
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"updated_at": "2022-09-04T14:38:44.580336Z",
"structure_string": "Cr8 Se12\n1.0\n6.646715 -0.002251 -1.639681\n-1.951096 7.034475 -0.076447\n0.043847 0.001759 8.592873\nCr Se\n8 12\ndirect\n0.491556 0.239449 0.019632 Cr\n0.809337 0.563915 0.340714 Cr\n0.178489 0.906438 0.672826 Cr\n0.508445 0.760552 0.980368 Cr\n0.821512 0.093563 0.327174 Cr\n0.190664 0.436086 0.659285 Cr\n0.830674 0.326977 0.825299 Cr\n0.169326 0.673024 0.174701 Cr\n0.442873 0.231170 0.705888 Se\n0.225780 0.436815 0.970983 Se\n0.908655 0.107680 0.633160 Se\n0.557128 0.768831 0.294111 Se\n0.894358 0.596650 0.640554 Se\n0.105643 0.403350 0.359446 Se\n0.222752 0.927621 0.973549 Se\n0.455202 0.742257 0.686362 Se\n0.774221 0.563186 0.029016 Se\n0.777249 0.072380 0.026451 Se\n0.544799 0.257744 0.313638 Se\n0.091346 0.892321 0.366840 Se\n",
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{
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"structure_string": "Cr2 Se2\n1.0\n3.515662 0.000000 0.000000\n0.000000 3.515662 0.000000\n0.000000 0.000000 6.164658\nCr Se\n2 2\ndirect\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.727527 Se\n0.500000 0.000000 0.272473 Se\n",
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{
"id": "jvasp-112482",
"created_at": "2022-09-04T14:38:40.535669Z",
"updated_at": "2022-09-04T14:38:40.535696Z",
"structure_string": "Cr5 Se8\n1.0\n5.618652 -0.018683 3.859693\n0.957939 5.536420 3.859693\n0.004957 0.004159 8.432190\nCr Se\n5 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.270207 0.270207 0.987153 Cr\n0.729794 0.729794 0.012846 Cr\n0.271575 0.728426 0.499999 Cr\n0.728426 0.271575 0.499999 Cr\n0.974992 0.974993 0.325294 Se\n0.025008 0.025008 0.674705 Se\n0.450797 0.450797 0.333914 Se\n0.549204 0.549204 0.666085 Se\n0.033168 0.544467 0.170995 Se\n0.544467 0.033168 0.170995 Se\n0.966832 0.455534 0.829004 Se\n0.455533 0.966833 0.829004 Se\n",
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"formula_full": "Cr5 Se8",
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"spacegroup": 12
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{
"id": "jvasp-28352",
"created_at": "2022-09-04T14:37:51.714025Z",
"updated_at": "2022-09-04T14:37:51.714041Z",
"structure_string": "Cr1 Se2\n1.0\n3.264278 -0.000002 0.000065\n-1.632141 2.826950 -0.000000\n0.000003 0.000001 6.290648\nCr Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.666676 0.333338 0.752503 Se\n0.333325 0.666662 0.247498 Se\n",
"nsites": 3,
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"elements": [
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"density": 6.004741975401524,
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{
"id": "jvasp-123655",
"created_at": "2022-09-04T14:38:55.147309Z",
"updated_at": "2022-09-04T14:38:55.147339Z",
"structure_string": "Cr1 Se2\n1.0\n1.766504 -3.046490 -0.099007\n1.755086 3.039897 -0.000000\n0.139394 -0.080479 5.700026\nCr Se\n1 2\ndirect\n0.000000 0.333350 0.166667 Cr\n0.666977 0.666814 0.420132 Se\n0.333020 -0.000166 0.913202 Se\n",
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{
"id": "jvasp-58365",
"created_at": "2022-09-04T14:36:42.737292Z",
"updated_at": "2022-09-04T14:36:42.737323Z",
"structure_string": "Cr10 Si6\n1.0\n4.321513 -0.000000 1.544881\n2.160756 6.429339 0.772440\n-0.003507 0.000000 6.826559\nCr Si\n10 6\ndirect\n0.250000 0.500000 0.500000 Cr\n0.750000 0.500000 0.500000 Cr\n0.076224 0.152833 0.694718 Cr\n0.770942 0.305282 0.152833 Cr\n0.229057 0.694718 0.847167 Cr\n0.923775 0.847167 0.305282 Cr\n0.270942 0.152833 0.305282 Cr\n0.729057 0.847167 0.694718 Cr\n0.423775 0.305282 0.847167 Cr\n0.576224 0.694718 0.152833 Cr\n0.250000 0.000000 0.000000 Si\n0.750000 0.000000 0.000000 Si\n0.167269 0.500000 0.165462 Si\n0.332731 0.834538 0.500000 Si\n0.667268 0.165462 0.500000 Si\n0.832730 0.500000 0.834538 Si\n",
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"formula_full": "Cr10 Si6",
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"spacegroup": 140
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{
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"created_at": "2022-09-04T14:35:47.530260Z",
"updated_at": "2022-09-04T14:35:47.530278Z",
"structure_string": "Cr6 Si2\n1.0\n4.513821 -0.000000 0.000000\n0.000000 4.513821 0.000000\n0.000000 0.000000 4.513821\nCr Si\n6 2\ndirect\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.750000 Cr\n0.500000 0.750000 0.000000 Cr\n0.500000 0.250000 0.000000 Cr\n0.750000 0.000000 0.500000 Cr\n0.250000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
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"formula_full": "Cr6 Si2",
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{
"id": "jvasp-16107",
"created_at": "2022-09-04T14:36:47.608325Z",
"updated_at": "2022-09-04T14:36:47.608353Z",
"structure_string": "Cr1 Si2\n1.0\n2.898512 0.000000 -1.104509\n-0.420884 2.867792 -1.104509\n0.006002 0.006947 4.371222\nCr Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.662626 0.662626 0.325251 Si\n0.337374 0.337375 0.674748 Si\n",
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{
"id": "jvasp-14892",
"created_at": "2022-09-04T14:36:38.445052Z",
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"structure_string": "Cr4 Si4\n1.0\n4.609790 -0.000000 -0.000000\n-0.000000 4.609790 0.000000\n0.000000 -0.000000 4.609790\nCr Si\n4 4\ndirect\n0.862868 0.637132 0.362868 Cr\n0.637132 0.362868 0.862868 Cr\n0.362868 0.862868 0.637132 Cr\n0.137132 0.137132 0.137132 Cr\n0.152795 0.347205 0.652795 Si\n0.347205 0.652795 0.152795 Si\n0.652795 0.152795 0.347205 Si\n0.847205 0.847205 0.847205 Si\n",
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{
"id": "jvasp-7740",
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"updated_at": "2022-09-04T14:37:06.162141Z",
"structure_string": "Cr3 Si6\n1.0\n2.217227 -3.840349 0.000000\n2.217227 3.840349 0.000000\n-0.000000 -0.000000 6.389550\nCr Si\n3 6\ndirect\n0.500000 0.000000 0.500000 Cr\n0.500001 0.500001 0.833333 Cr\n0.000000 0.500000 0.166667 Cr\n0.332816 0.166409 0.166667 Si\n0.166409 0.833592 0.833333 Si\n0.166409 0.332816 0.500000 Si\n0.667185 0.833593 0.166667 Si\n0.833592 0.166409 0.833333 Si\n0.833593 0.667185 0.500000 Si\n",
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{
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"structure_string": "Cr3 Si6\n1.0\n2.217226 -3.840350 -0.000000\n2.217226 3.840350 0.000000\n-0.000000 -0.000000 6.389554\nCr Si\n3 6\ndirect\n0.000000 0.500000 0.833333 Cr\n0.500000 0.000000 0.500000 Cr\n0.500001 0.500001 0.166667 Cr\n0.833593 0.166409 0.166667 Si\n0.166408 0.332816 0.500000 Si\n0.667185 0.833593 0.833333 Si\n0.166409 0.833593 0.166667 Si\n0.833593 0.667185 0.500000 Si\n0.332816 0.166408 0.833333 Si\n",
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{
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"created_at": "2022-09-04T14:38:54.626594Z",
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"structure_string": "Cr1 Sn7\n1.0\n6.538258 0.000000 0.000000\n-0.000000 6.538258 0.000000\n0.000000 -0.000000 6.538258\nCr Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Cr\n0.239931 0.239931 0.739931 Sn\n0.000000 0.500000 0.000000 Sn\n0.239931 0.760069 0.260069 Sn\n0.500000 0.000000 0.000000 Sn\n0.760069 0.239931 0.260069 Sn\n0.500000 0.500000 0.500000 Sn\n0.760069 0.760069 0.739931 Sn\n",
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}