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{
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{
"id": "jvasp-39090",
"created_at": "2022-09-04T14:37:49.950852Z",
"updated_at": "2022-09-04T14:37:49.950884Z",
"structure_string": "Si6 Pt2\n1.0\n3.752567 -6.499637 0.000000\n3.752567 6.499637 0.000000\n0.000000 0.000000 2.743738\nSi Pt\n6 2\ndirect\n0.169235 0.338469 0.250000 Si\n0.661532 0.830766 0.250000 Si\n0.169235 0.830766 0.250000 Si\n0.830766 0.661532 0.750000 Si\n0.338469 0.169235 0.750000 Si\n0.830766 0.169235 0.750000 Si\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n",
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{
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"structure_string": "Si6 Pt4\n1.0\n1.979914 -3.429312 0.000000\n1.979914 3.429312 -0.000000\n0.000000 0.000000 12.144553\nSi Pt\n6 4\ndirect\n0.333332 0.666666 0.433999 Si\n0.666666 0.333332 0.933998 Si\n0.666666 0.333332 0.566001 Si\n0.333332 0.666666 0.066001 Si\n0.000000 0.000000 0.750000 Si\n0.000000 0.000000 0.250000 Si\n0.333332 0.666666 0.636570 Pt\n0.666666 0.333332 0.136570 Pt\n0.666666 0.333332 0.363430 Pt\n0.333332 0.666666 0.863430 Pt\n",
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{
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"created_at": "2022-09-04T14:37:33.066514Z",
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"structure_string": "Si6 Rh10\n1.0\n3.890519 0.000000 0.000000\n0.000000 5.409432 -0.000000\n0.000000 -0.000000 10.392398\nSi Rh\n6 10\ndirect\n0.500000 0.089716 0.656299 Si\n0.500000 0.910283 0.343701 Si\n0.500000 0.589716 0.843702 Si\n0.500000 0.410284 0.156299 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.335784 0.391743 Rh\n0.500000 0.664216 0.608257 Rh\n0.500000 0.835784 0.108257 Rh\n0.500000 0.164216 0.891744 Rh\n0.000000 0.336615 0.711701 Rh\n0.000000 0.663385 0.288299 Rh\n0.000000 0.836615 0.788300 Rh\n0.000000 0.163385 0.211701 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 16,
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"elements": [
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"volume": 218.71319106655565,
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"spacegroup": 55
},
{
"id": "jvasp-37224",
"created_at": "2022-09-04T14:37:57.117746Z",
"updated_at": "2022-09-04T14:37:57.117758Z",
"structure_string": "Si3 Ru1\n1.0\n0.000000 3.041082 3.041082\n3.041082 -0.000000 3.041082\n3.041082 3.041082 0.000000\nSi Ru\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750001 Ru\n",
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"Ru"
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"density": 5.471069525295284,
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"volume": 56.2489458237392,
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"formula_full": "Si3 Ru1",
"formula_reduced": "Si3Ru",
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"spacegroup": 225
},
{
"id": "jvasp-55521",
"created_at": "2022-09-04T14:37:06.506620Z",
"updated_at": "2022-09-04T14:37:06.506639Z",
"structure_string": "Si12 Ru8\n1.0\n5.625344 0.000000 0.000000\n0.000000 5.625344 0.000000\n-0.000000 0.000000 8.986626\nSi Ru\n12 8\ndirect\n0.171220 0.828779 0.750000 Si\n0.353536 0.790509 0.089561 Si\n0.790509 0.646463 0.910439 Si\n0.646463 0.209490 0.089561 Si\n0.790509 0.353536 0.410439 Si\n0.209490 0.646463 0.410439 Si\n0.209490 0.353536 0.910439 Si\n0.353536 0.209490 0.589561 Si\n0.828779 0.171220 0.750000 Si\n0.171220 0.171220 0.250000 Si\n0.828779 0.828779 0.250000 Si\n0.646463 0.790509 0.589561 Si\n0.000000 0.500000 0.626564 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.750000 Ru\n0.500000 0.500000 0.250000 Ru\n0.500000 0.000000 0.873437 Ru\n0.000000 0.500000 0.126564 Ru\n0.500000 0.000000 0.373437 Ru\n",
"nsites": 20,
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"elements": [
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"density": 6.689319756541256,
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"volume": 284.37724258731134,
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"formula_full": "Si12 Ru8",
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{
"id": "jvasp-30314",
"created_at": "2022-09-04T14:38:03.817290Z",
"updated_at": "2022-09-04T14:38:03.817309Z",
"structure_string": "Si6 Sb4 O18\n1.0\n6.920375 0.000001 -0.000008\n-3.460186 5.993225 -0.000008\n-0.000008 -0.000019 9.323547\nSi Sb O\n6 4 18\ndirect\n0.206877 0.926026 0.249999 Si\n0.073977 0.280847 0.250000 Si\n0.280849 0.206873 0.750000 Si\n0.719157 0.793126 0.250000 Si\n0.926029 0.719152 0.750000 Si\n0.793130 0.073973 0.750001 Si\n0.666671 0.333334 0.018465 Sb\n0.666669 0.333332 0.481536 Sb\n0.333336 0.666665 0.981536 Sb\n0.333337 0.666668 0.518465 Sb\n0.421571 0.325764 0.604827 O\n0.674238 0.095802 0.604828 O\n0.904200 0.578431 0.895172 O\n0.904201 0.578432 0.604826 O\n0.935572 0.752523 0.249999 O\n0.752526 0.816954 0.750000 O\n0.421569 0.325765 0.895174 O\n0.578437 0.674236 0.395174 O\n0.095806 0.421568 0.104827 O\n0.247481 0.183045 0.250000 O\n0.064435 0.247476 0.750001 O\n0.095806 0.421568 0.395174 O\n0.674239 0.095803 0.895174 O\n0.325768 0.904197 0.395172 O\n0.325768 0.904196 0.104826 O\n0.183047 0.935566 0.750000 O\n0.578436 0.674234 0.104827 O\n0.816960 0.064433 0.250000 O\n",
"nsites": 28,
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"elements": [
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"Sb",
"O"
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"density": 4.051716169235759,
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"volume": 386.6975421383578,
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"formula_full": "Si6 Sb4 O18",
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"spacegroup": 176
},
{
"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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"volume": 70.13224953759764,
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"formula_full": "Si3 Se1",
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"spacegroup": 225
},
{
"id": "jvasp-39086",
"created_at": "2022-09-04T14:38:03.134618Z",
"updated_at": "2022-09-04T14:38:03.134639Z",
"structure_string": "Si6 W2\n1.0\n2.655545 -4.599539 -0.000000\n2.655545 4.599539 0.000000\n-0.000000 -0.000000 4.836675\nSi W\n6 2\ndirect\n0.178369 0.821629 0.749999 Si\n0.643259 0.821628 0.749999 Si\n0.178370 0.356739 0.749999 Si\n0.821629 0.178369 0.250000 Si\n0.356739 0.178370 0.250000 Si\n0.821628 0.643259 0.250000 Si\n0.333332 0.666666 0.250000 W\n0.666666 0.333332 0.749999 W\n",
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"spacegroup": 194
},
{
"id": "jvasp-52103",
"created_at": "2022-09-04T14:38:31.010713Z",
"updated_at": "2022-09-04T14:38:31.010722Z",
"structure_string": "Si6 W10\n1.0\n4.679558 -0.000000 1.705961\n2.339778 6.861060 0.852981\n-0.010176 -0.000000 7.299054\nSi W\n6 10\ndirect\n0.750000 0.000000 -0.000000 Si\n0.250000 0.000000 -0.000000 Si\n0.831591 0.500000 0.836817 Si\n0.668409 0.163182 0.500000 Si\n0.331592 0.836818 0.500000 Si\n0.168409 0.500000 0.163182 Si\n0.424995 0.300098 0.849911 W\n0.575005 0.699902 0.150088 W\n0.250000 0.500000 0.500000 W\n0.750000 0.500000 0.500000 W\n0.725094 0.849911 0.699901 W\n0.274906 0.150089 0.300098 W\n0.924996 0.849911 0.300098 W\n0.225093 0.699902 0.849911 W\n0.774907 0.300098 0.150088 W\n0.075004 0.150089 0.699902 W\n",
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"density": 14.21328100875176,
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{
"id": "jvasp-34163",
"created_at": "2022-09-04T14:37:27.730866Z",
"updated_at": "2022-09-04T14:37:27.730885Z",
"structure_string": "Si6 W10\n1.0\n4.679558 -0.000000 1.705961\n2.339778 6.861060 0.852981\n-0.010176 -0.000000 7.299054\nSi W\n6 10\ndirect\n0.750000 0.000000 -0.000000 Si\n0.250000 0.000000 -0.000000 Si\n0.831591 0.500000 0.836817 Si\n0.668409 0.163182 0.500000 Si\n0.331592 0.836818 0.500000 Si\n0.168409 0.500000 0.163182 Si\n0.424995 0.300098 0.849911 W\n0.575005 0.699902 0.150088 W\n0.250000 0.500000 0.500000 W\n0.750000 0.500000 0.500000 W\n0.725094 0.849911 0.699901 W\n0.274906 0.150089 0.300098 W\n0.924996 0.849911 0.300098 W\n0.225093 0.699902 0.849911 W\n0.774907 0.300098 0.150088 W\n0.075004 0.150089 0.699902 W\n",
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},
{
"id": "jvasp-111009",
"created_at": "2022-09-04T14:38:36.282755Z",
"updated_at": "2022-09-04T14:38:36.282781Z",
"structure_string": "Si4 Mo1 W1\n1.0\n3.239042 0.000000 0.000000\n0.000000 3.239042 0.000000\n0.000000 0.000000 7.890055\nSi Mo W\n4 1 1\ndirect\n0.500000 0.500000 0.163944 Si\n0.000000 0.000000 0.665138 Si\n0.000000 0.000000 0.334862 Si\n0.500000 0.500000 0.836057 Si\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 W\n",
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"formula_anonymous": "ABC4",
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"spacegroup": 123
},
{
"id": "jvasp-3306",
"created_at": "2022-09-04T14:35:47.371076Z",
"updated_at": "2022-09-04T14:35:47.371111Z",
"structure_string": "Si4 P4 Ru1\n1.0\n4.995881 0.004677 -0.000908\n-1.882224 -5.381032 -0.002553\n-2.309013 0.293744 -5.784150\nSi P Ru\n4 4 1\ndirect\n0.670610 0.224481 0.774033 Si\n0.237428 0.655832 0.567814 Si\n0.358537 0.405449 0.119002 Si\n0.844235 0.027844 0.310516 Si\n0.160070 0.983570 0.681091 P\n0.621624 0.588788 0.877532 P\n0.766715 0.357871 0.436428 P\n0.341226 0.772490 0.241186 P\n0.999458 0.001873 0.000896 Ru\n",
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"formula_full": "Si4 P4 Ru1",
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"spacegroup": 1
}
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}