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{
"id": "jvasp-96101",
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"structure_string": "Si16 O32\n1.0\n4.346962 0.000000 0.000000\n-0.000000 12.349254 -0.000000\n0.000000 -0.000000 12.349254\nSi O\n16 32\ndirect\n0.741775 0.854693 0.522051 Si\n0.741775 0.022051 0.354693 Si\n0.258224 0.354693 0.022051 Si\n0.258224 0.854693 0.977949 Si\n0.258224 0.522051 0.854693 Si\n0.741775 0.145307 0.022051 Si\n0.741775 0.477949 0.145307 Si\n0.741775 0.645307 0.977949 Si\n0.741775 0.522051 0.645307 Si\n0.258224 0.977949 0.645307 Si\n0.741775 0.354693 0.477949 Si\n0.258224 0.145307 0.477949 Si\n0.258224 0.022051 0.145307 Si\n0.258224 0.645307 0.522051 Si\n0.258224 0.477949 0.354693 Si\n0.741775 0.977949 0.854693 Si\n0.124980 0.095736 0.595736 O\n0.124980 0.404264 0.904263 O\n0.500000 0.250000 0.498696 O\n0.000000 0.125474 0.125474 O\n0.500000 0.498696 0.250000 O\n0.000000 0.625474 0.874526 O\n0.875020 0.595736 0.095736 O\n0.500000 0.437589 0.062411 O\n0.124980 0.595736 0.404264 O\n0.875020 0.904263 0.404264 O\n0.000000 0.125474 0.374526 O\n0.500000 0.437589 0.437589 O\n0.500000 0.937589 0.562411 O\n0.875020 0.095736 0.904263 O\n0.000000 0.374526 0.374526 O\n0.500000 0.750000 0.501304 O\n0.500000 0.501304 0.750000 O\n0.500000 0.562411 0.937589 O\n0.500000 0.062411 0.437589 O\n0.000000 0.374526 0.125474 O\n0.500000 0.250000 0.001304 O\n0.500000 0.937589 0.937589 O\n0.000000 0.874526 0.625474 O\n0.000000 0.625474 0.625474 O\n0.500000 0.001304 0.250000 O\n0.500000 0.998696 0.750000 O\n0.500000 0.062411 0.062411 O\n0.500000 0.562411 0.562411 O\n0.000000 0.874526 0.874526 O\n0.124980 0.904263 0.095736 O\n0.500000 0.750000 0.998696 O\n0.875020 0.404264 0.595736 O\n",
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{
"id": "jvasp-98531",
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"structure_string": "Si8 O16\n1.0\n7.272481 -0.154272 -2.072564\n-4.178878 5.953969 -2.072564\n0.082290 0.154272 7.561595\nSi O\n8 16\ndirect\n0.478300 0.133539 0.227379 Si\n0.906161 0.250921 0.772623 Si\n0.133539 0.478300 0.227379 Si\n0.866461 0.093839 0.344761 Si\n0.749079 0.521700 0.655241 Si\n0.250921 0.906161 0.772623 Si\n0.093839 0.866461 0.344761 Si\n0.521700 0.749079 0.655240 Si\n0.645964 0.394963 0.404214 O\n0.251085 -0.000000 0.251085 O\n0.394963 0.645964 0.404213 O\n0.009249 0.605037 0.251001 O\n0.748915 -0.000000 0.748916 O\n0.758248 0.354036 0.749000 O\n0.590743 0.590743 0.713916 O\n-0.000000 0.748915 0.748915 O\n0.990750 0.241752 0.595788 O\n0.409257 0.123172 0.000000 O\n0.876828 0.876828 0.286086 O\n0.605037 0.009250 0.251002 O\n0.123172 0.409257 0.000000 O\n-0.000000 0.251085 0.251085 O\n0.241751 0.990750 0.595788 O\n0.354036 0.758248 0.749000 O\n",
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{
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"structure_string": "Si16 O32\n1.0\n9.244882 0.000000 4.721878\n4.622441 10.093830 2.360939\n0.031159 -0.000000 11.350129\nSi O\n16 32\ndirect\n0.359896 0.280208 0.500000 Si\n0.859896 0.500000 0.280208 Si\n0.359896 0.500000 0.280208 Si\n0.733804 0.154748 0.377644 Si\n0.266196 0.622356 0.845252 Si\n0.640104 0.500000 0.719792 Si\n0.140104 0.719792 0.500000 Si\n0.888552 0.377644 0.845253 Si\n0.111448 0.622356 0.154748 Si\n0.266196 0.845252 0.622357 Si\n0.640104 0.719792 0.500000 Si\n0.140104 0.500000 0.719792 Si\n0.733804 0.377644 0.154748 Si\n0.888552 0.845252 0.377644 Si\n0.859896 0.280208 0.500000 Si\n0.111448 0.154748 0.622356 Si\n0.167844 -0.000000 0.664313 O\n0.266837 0.534476 0.186860 O\n0.733162 0.465524 0.813140 O\n0.000000 0.243487 0.756513 O\n0.832156 0.335688 0.000000 O\n0.266837 0.186860 0.534476 O\n0.546303 0.465524 0.186860 O\n0.198686 0.534476 0.813140 O\n0.988173 0.465524 0.813140 O\n0.453697 0.813140 0.534477 O\n0.011826 0.534476 0.186860 O\n0.167844 0.664312 0.000000 O\n0.660166 0.626556 0.626557 O\n0.913277 0.373444 0.373444 O\n0.801314 0.186860 0.465524 O\n0.011826 0.186860 0.534476 O\n0.756512 0.243487 0.243488 O\n-0.000000 0.756513 0.243488 O\n0.988173 0.813140 0.465524 O\n0.453697 0.534476 0.813140 O\n0.198686 0.813140 0.534477 O\n0.713279 0.373444 0.626557 O\n0.286721 0.626556 0.373444 O\n0.801314 0.465524 0.186860 O\n0.832156 -0.000000 0.335688 O\n0.546303 0.186860 0.465524 O\n0.713279 0.626556 0.373444 O\n0.286721 0.373444 0.626556 O\n0.733162 0.813140 0.465524 O\n0.243487 0.756513 0.756513 O\n0.086723 0.626556 0.626556 O\n0.339834 0.373444 0.373444 O\n",
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{
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"structure_string": "Si16 O32\n1.0\n4.966429 0.001865 -0.072412\n-2.381590 11.947439 -2.874950\n-0.079527 0.126437 14.875628\nSi O\n16 32\ndirect\n0.879519 0.906188 0.355435 Si\n0.320578 0.784009 0.272502 Si\n0.212853 0.580033 0.370237 Si\n0.161730 0.147728 0.443576 Si\n0.787148 0.419968 0.629764 Si\n0.838270 0.852273 0.556425 Si\n0.274425 0.713046 0.570789 Si\n0.679422 0.215992 0.727499 Si\n0.357168 0.560447 0.700344 Si\n0.120481 0.093813 0.644565 Si\n0.215791 0.529781 0.891927 Si\n0.346037 0.613377 0.096834 Si\n0.653963 0.386624 0.903166 Si\n0.642832 0.439553 0.299657 Si\n0.725575 0.286954 0.429212 Si\n0.784210 0.470220 0.108073 Si\n0.030931 0.035245 0.366629 O\n0.101703 0.128510 0.546099 O\n0.329952 0.670573 0.663427 O\n0.508866 0.821419 0.566080 O\n0.491134 0.178582 0.433921 O\n0.886444 0.480951 0.872387 O\n0.027722 0.823705 0.281031 O\n0.437200 0.109144 0.683091 O\n0.641436 0.577064 0.105884 O\n-0.023917 0.749146 0.572393 O\n0.279952 0.610849 0.481574 O\n0.662964 0.312065 0.670477 O\n0.720048 0.389152 0.518427 O\n0.898297 0.871491 0.453901 O\n0.358564 0.422937 0.894117 O\n0.641950 0.264483 0.836244 O\n0.969069 0.964756 0.633371 O\n0.722757 0.380138 0.009099 O\n0.972278 0.176296 0.718969 O\n0.118074 0.453303 0.652280 O\n0.348129 0.473890 0.323888 O\n0.023917 0.250854 0.427607 O\n0.562800 0.890857 0.316910 O\n0.670048 0.329428 0.336573 O\n0.881926 0.546697 0.347721 O\n0.668878 0.408775 0.188475 O\n0.337036 0.687936 0.329524 O\n0.651872 0.526111 0.676113 O\n0.358050 0.735518 0.163756 O\n0.113556 0.519050 0.127614 O\n0.277243 0.619862 0.990901 O\n0.331122 0.591225 0.811525 O\n",
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{
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"structure_string": "Si6 O12\n1.0\n3.684019 -6.380908 -0.000000\n3.684019 6.380908 0.000000\n0.000000 0.000000 7.072515\nSi O\n6 12\ndirect\n0.766943 0.533885 0.250000 Si\n0.233057 0.466116 0.750000 Si\n0.766943 0.233057 0.583333 Si\n0.533885 0.766943 0.416667 Si\n0.233057 0.766943 0.083333 Si\n0.466116 0.233057 0.916666 Si\n0.612396 0.387604 0.083333 O\n0.683061 -0.000000 0.500000 O\n0.316939 0.316939 0.833332 O\n0.612396 0.224793 0.750000 O\n0.387604 0.612396 0.583333 O\n0.387604 0.775207 0.250000 O\n-0.000000 0.683061 0.166667 O\n0.775207 0.387604 0.416667 O\n0.316939 -0.000000 0.000000 O\n0.224793 0.612396 0.916666 O\n-0.000000 0.316939 0.666667 O\n0.683061 0.683061 0.333333 O\n",
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{
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"structure_string": "Si16 O32\n1.0\n8.494149 0.000003 -3.447558\n-1.399221 8.378276 -3.447593\n0.026904 0.031718 12.254574\nSi O\n16 32\ndirect\n0.764673 0.508156 0.866891 Si\n0.897789 0.491852 0.133108 Si\n0.858735 0.102210 0.366890 Si\n0.897783 0.141266 0.133107 Si\n0.141264 0.897790 0.633110 Si\n0.764673 0.858738 0.866895 Si\n0.235327 0.491844 0.133108 Si\n0.491849 0.235323 0.633111 Si\n0.858739 0.764677 0.366892 Si\n0.102211 0.508149 0.866891 Si\n0.102217 0.858734 0.866893 Si\n0.508150 0.764677 0.366889 Si\n0.235327 0.141263 0.133105 Si\n0.141261 0.235324 0.633107 Si\n0.508143 0.102204 0.366889 Si\n0.491857 0.897796 0.633111 Si\n0.147740 0.852260 0.750000 O\n0.397754 0.602245 0.250002 O\n0.308944 0.237928 0.617887 O\n0.120044 0.691051 0.882109 O\n0.500004 0.775415 0.500001 O\n0.308951 0.879972 0.617894 O\n0.879955 0.308950 0.117891 O\n0.000005 0.775399 0.499999 O\n0.762062 0.691059 0.882119 O\n0.691049 0.120029 0.382106 O\n0.602246 0.397756 0.749998 O\n-0.000005 0.224602 0.500001 O\n0.397744 0.147752 0.250004 O\n0.499996 0.224585 0.499999 O\n0.224610 -0.000006 0.000002 O\n0.147748 0.397744 0.750001 O\n0.691055 0.762072 0.382113 O\n0.892361 0.918857 0.337719 O\n0.224597 0.499998 0.000000 O\n0.775390 0.000006 -0.000002 O\n0.081140 0.107645 0.162275 O\n0.852252 0.602256 0.249998 O\n0.918860 0.892355 0.837725 O\n0.554666 0.081154 0.662297 O\n0.852259 0.147740 0.250000 O\n0.081149 0.554651 0.162288 O\n0.237937 0.308941 0.117880 O\n0.107638 0.081143 0.662281 O\n0.918850 0.445349 0.837712 O\n0.445334 0.918846 0.337703 O\n0.602255 0.852248 0.749996 O\n0.775404 0.500002 -0.000000 O\n",
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{
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"structure_string": "Si8 O16\n1.0\n6.921195 0.000000 0.000000\n0.000000 6.921195 -0.000000\n0.000000 -0.000000 7.081395\nSi O\n8 16\ndirect\n0.206171 0.450483 0.949382 Si\n0.049518 0.293829 0.550617 Si\n0.950483 0.706172 0.550617 Si\n0.450483 0.793829 0.050617 Si\n0.793829 0.549518 0.949382 Si\n0.706172 0.049518 0.449383 Si\n0.293829 0.950483 0.449383 Si\n0.549518 0.206171 0.050617 Si\n0.662206 0.162206 0.250000 O\n0.818240 0.843443 0.415464 O\n0.181761 0.156558 0.415464 O\n0.500000 0.000000 0.550002 O\n0.843443 0.181761 0.584536 O\n0.000000 0.500000 0.449997 O\n0.318240 0.656558 0.915463 O\n0.000000 0.500000 0.050004 O\n0.500000 0.000000 0.949997 O\n0.162206 0.337795 0.749999 O\n0.337795 0.837795 0.250000 O\n0.656558 0.681761 0.084536 O\n0.343442 0.318240 0.084536 O\n0.156558 0.818240 0.584536 O\n0.681761 0.343442 0.915463 O\n0.837795 0.662206 0.749999 O\n",
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{
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"structure_string": "Si6 O12\n1.0\n7.052401 -0.081213 -2.711535\n-3.923082 5.861091 -2.711535\n-0.043970 -0.081213 7.555585\nSi O\n6 12\ndirect\n0.202114 0.724790 0.925494 Si\n0.724790 0.925494 0.202114 Si\n0.797887 0.275211 0.074507 Si\n0.275211 0.074507 0.797887 Si\n0.925494 0.202114 0.724790 Si\n0.074506 0.797887 0.275211 Si\n0.760722 -0.004720 0.449852 O\n0.216279 0.852678 0.162258 O\n0.147322 0.837743 0.783721 O\n0.162257 0.216280 0.852678 O\n0.837743 0.783721 0.147323 O\n-0.004721 0.449852 0.760722 O\n0.449852 0.760722 -0.004720 O\n0.239279 0.004721 0.550148 O\n0.852678 0.162257 0.216280 O\n0.550148 0.239279 0.004722 O\n0.783721 0.147323 0.837744 O\n0.004721 0.550148 0.239279 O\n",
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{
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{
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"formula_reduced": "SiNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.2469904999999997,
"spacegroup": 198
},
{
"id": "jvasp-85837",
"created_at": "2022-09-04T14:35:46.651826Z",
"updated_at": "2022-09-04T14:35:46.651854Z",
"structure_string": "Si4 Ni8\n1.0\n3.733554 -0.000000 0.000000\n0.000000 5.084831 0.000000\n0.000000 0.000000 7.074520\nSi Ni\n4 8\ndirect\n0.250000 0.782483 0.115162 Si\n0.749999 0.217517 0.884838 Si\n0.250000 0.282483 0.384838 Si\n0.749999 0.717516 0.615162 Si\n0.250000 0.960440 0.798882 Ni\n0.749999 0.039560 0.201118 Ni\n0.250000 0.460440 0.701118 Ni\n0.749999 0.539560 0.298882 Ni\n0.250000 0.832515 0.439439 Ni\n0.749999 0.167485 0.560561 Ni\n0.250000 0.332515 0.060561 Ni\n0.749999 0.667484 0.939439 Ni\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 7.194381358419409,
"density_atomic": 0.08934809699817921,
"volume": 134.30616211383375,
"volume_molar": 6.740088443207383,
"formula_full": "Si4 Ni8",
"formula_reduced": "SiNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.381861133333333,
"spacegroup": 62
},
{
"id": "jvasp-20658",
"created_at": "2022-09-04T14:38:10.450564Z",
"updated_at": "2022-09-04T14:38:10.450591Z",
"structure_string": "Si2 Ni1\n1.0\n3.352918 -0.000000 1.935808\n1.117639 3.161162 1.935808\n-0.000000 0.000000 3.871616\nSi Ni\n2 1\ndirect\n0.750001 0.750000 0.750001 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 4.648069196612537,
"density_atomic": 0.07310705572978404,
"volume": 41.0357108496956,
"volume_molar": 8.237427564117535,
"formula_full": "Si2 Ni1",
"formula_reduced": "Si2Ni",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0758165333333327,
"spacegroup": 225
}
]
}