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{
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{
"id": "mp-13053",
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"structure_string": "Sr4 Si4\n1.0\n4.058661 0.000000 0.000000\n0.000000 6.138727 0.000000\n0.000000 0.000000 8.906592\nSr Si\n4 4\ndirect\n0.250000 0.392006 0.680546 Sr\n0.750000 0.607994 0.319454 Sr\n0.750000 0.892006 0.819454 Sr\n0.250000 0.107994 0.180546 Sr\n0.250000 0.892916 0.531929 Si\n0.750000 0.107084 0.468071 Si\n0.750000 0.392916 0.968071 Si\n0.250000 0.607084 0.031929 Si\n",
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{
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"structure_string": "Sr4 Si4 H8 F24\n1.0\n10.074189 0.000000 0.000000\n0.000000 6.008646 0.000000\n0.000000 3.807022 10.066614\nSr Si H F\n4 4 8 24\ndirect\n0.775552 0.776814 0.554895 Sr\n0.224448 0.223186 0.445105 Sr\n0.275552 0.223186 0.945105 Sr\n0.724448 0.776814 0.054895 Sr\n0.468785 0.852664 0.746652 Si\n0.531215 0.147336 0.253348 Si\n0.968785 0.147336 0.753348 Si\n0.031215 0.852664 0.246652 Si\n0.090776 0.757748 0.611220 H\n0.909224 0.242252 0.388780 H\n0.590776 0.242252 0.888780 H\n0.409224 0.757748 0.111220 H\n0.342331 0.566078 0.528100 H\n0.657669 0.433922 0.471900 H\n0.842331 0.433922 0.971900 H\n0.157669 0.566078 0.028100 H\n0.066341 0.299399 0.827917 F\n0.933659 0.700601 0.172083 F\n0.566341 0.700601 0.672083 F\n0.433659 0.299399 0.327917 F\n0.367178 0.989213 0.828420 F\n0.632822 0.010787 0.171580 F\n0.867178 0.010787 0.671580 F\n0.132822 0.989213 0.328420 F\n0.370995 0.600090 0.808775 F\n0.629005 0.399910 0.191225 F\n0.870995 0.399910 0.691225 F\n0.129005 0.600090 0.308775 F\n0.066342 0.253166 0.611108 F\n0.933658 0.746834 0.388892 F\n0.566342 0.746834 0.888892 F\n0.433658 0.253166 0.111108 F\n0.365507 0.949641 0.610498 F\n0.634493 0.050359 0.389502 F\n0.865507 0.050359 0.889502 F\n0.134493 0.949641 0.110498 F\n0.062596 0.905518 0.813711 F\n0.937404 0.094482 0.186289 F\n0.562596 0.094482 0.686289 F\n0.437404 0.905518 0.313711 F\n",
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],
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"density": 2.5257310866622524,
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"volume": 609.3546487124131,
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"formula_full": "Sr4 Si4 H8 F24",
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"energy": -203.23671999,
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},
{
"id": "mp-4549",
"created_at": "2022-09-04T14:40:56.353916Z",
"structure_string": "Sr4 Si4 N8\n1.0\n7.378065 0.000000 0.000000\n0.000000 5.546697 0.000000\n0.000000 2.309956 5.525426\nSr Si N\n4 4 8\ndirect\n0.074903 0.324219 0.337043 Sr\n0.574903 0.175781 0.662957 Sr\n0.925097 0.675781 0.662957 Sr\n0.425097 0.824219 0.337043 Sr\n0.858702 0.929266 0.104795 Si\n0.141298 0.070734 0.895205 Si\n0.358702 0.570734 0.895205 Si\n0.641298 0.429266 0.104795 Si\n0.716887 0.109569 0.209464 N\n0.216887 0.390431 0.790536 N\n0.283113 0.890431 0.790536 N\n0.783113 0.609569 0.209464 N\n0.086551 0.920726 0.209693 N\n0.413449 0.420726 0.209693 N\n0.913449 0.079274 0.790307 N\n0.586551 0.579274 0.790307 N\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.2216311637470945,
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"volume": 226.1219313597767,
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"formula_full": "Sr4 Si4 N8",
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"updated_at": "2021-11-28T01:34:58.812000Z",
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},
{
"id": "mp-1173151",
"created_at": "2022-09-04T14:39:19.249867Z",
"structure_string": "Sr4 Si4 O12\n1.0\n4.422830 0.161191 0.000000\n-0.420088 7.625223 0.000000\n0.000000 0.000000 10.902415\nSr Si O\n4 4 12\ndirect\n0.784967 0.985849 0.715512 Sr\n0.715057 0.230853 0.138423 Sr\n0.784967 0.485849 0.784488 Sr\n0.715057 0.730853 0.361577 Sr\n0.240760 0.691041 0.596363 Si\n0.240760 0.191041 0.903637 Si\n0.822874 0.218793 0.468324 Si\n0.822874 0.718793 0.031676 Si\n0.208899 0.177079 0.049557 O\n0.208899 0.677079 0.450443 O\n0.604281 0.197908 0.864728 O\n0.604281 0.697908 0.635272 O\n0.874139 0.288856 0.603522 O\n0.728981 0.518469 0.040763 O\n0.874139 0.788856 0.896478 O\n0.728981 0.018469 0.459237 O\n0.671010 0.354844 0.357918 O\n0.671010 0.854844 0.142082 O\n0.031031 0.305408 0.348774 O\n0.031031 0.805408 0.151226 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 2.951351668119932,
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"volume": 368.42290552265007,
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"formula_full": "Sr4 Si4 O12",
"formula_reduced": "SrSiO3",
"formula_anonymous": "ABC3",
"energy": -138.61023709,
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"updated_at": "2021-11-28T01:34:31.859000Z",
"spacegroup": 7
},
{
"id": "mp-728573",
"created_at": "2022-09-04T14:44:30.025184Z",
"structure_string": "Sr4 Si4 O8 F24\n1.0\n9.913981 0.000000 0.000000\n0.000000 6.025548 0.000000\n0.000000 4.703628 10.433326\nSr Si O F\n4 4 8 24\ndirect\n0.277453 0.784638 0.051124 Sr\n0.777453 0.215362 0.448876 Sr\n0.722547 0.215362 0.948876 Sr\n0.222547 0.784638 0.551124 Sr\n0.470723 0.139772 0.245106 Si\n0.970723 0.860228 0.254894 Si\n0.529277 0.860228 0.754894 Si\n0.029277 0.139772 0.745106 Si\n0.330845 0.403918 0.492010 O\n0.830845 0.596082 0.007990 O\n0.669155 0.596082 0.507990 O\n0.169155 0.403918 0.992010 O\n0.067006 0.187348 0.397443 O\n0.567006 0.812652 0.102557 O\n0.932994 0.812652 0.602557 O\n0.432994 0.187348 0.897443 O\n0.379706 0.010355 0.382948 F\n0.879706 0.989645 0.117052 F\n0.620294 0.989645 0.617052 F\n0.120294 0.010355 0.882948 F\n0.363442 0.009925 0.171056 F\n0.863442 0.990075 0.328944 F\n0.636558 0.990075 0.828944 F\n0.136558 0.009925 0.671056 F\n0.367772 0.389381 0.195187 F\n0.867772 0.610619 0.304813 F\n0.632228 0.610619 0.804813 F\n0.132228 0.389381 0.695187 F\n0.076821 0.727468 0.184814 F\n0.576821 0.272532 0.315186 F\n0.923179 0.272532 0.815186 F\n0.423179 0.727468 0.684814 F\n0.070280 0.114186 0.207447 F\n0.570280 0.885814 0.292553 F\n0.929720 0.885814 0.792553 F\n0.429720 0.114186 0.707447 F\n0.062828 0.729603 0.395441 F\n0.562828 0.270397 0.104559 F\n0.937172 0.270397 0.604559 F\n0.437172 0.729603 0.895441 F\n",
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"elements": [
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],
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"density": 2.7889237297844907,
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"volume": 623.2573520941665,
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"formula_full": "Sr4 Si4 O8 F24",
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"spacegroup": 14
},
{
"id": "mp-8843",
"created_at": "2022-09-04T14:46:21.113242Z",
"structure_string": "Sr4 Si4 Pd4\n1.0\n6.569671 0.000000 0.000000\n0.000000 6.569671 0.000000\n0.000000 0.000000 6.569671\nSr Si Pd\n4 4 4\ndirect\n0.628504 0.371496 0.871496 Sr\n0.371496 0.871496 0.628504 Sr\n0.128504 0.128504 0.128504 Sr\n0.871496 0.628504 0.371496 Sr\n0.163056 0.336944 0.663056 Si\n0.663056 0.163056 0.336944 Si\n0.336944 0.663056 0.163056 Si\n0.836944 0.836944 0.836944 Si\n0.590146 0.909854 0.090146 Pd\n0.090146 0.590146 0.909854 Pd\n0.409854 0.409854 0.409854 Pd\n0.909854 0.090146 0.590146 Pd\n",
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"elements": [
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],
"chemical_system": "Pd-Si-Sr",
"density": 5.2032733697791285,
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"volume": 283.55079137709447,
"volume_molar": 14.229856485685476,
"formula_full": "Sr4 Si4 Pd4",
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},
{
"id": "mp-971914",
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"structure_string": "Sr4 Si4 Pt4\n1.0\n6.553123 0.000000 0.000000\n0.000000 6.553123 0.000000\n0.000000 0.000000 6.553123\nSr Si Pt\n4 4 4\ndirect\n0.131338 0.131338 0.131338 Sr\n0.868662 0.631338 0.368662 Sr\n0.368662 0.868662 0.631338 Sr\n0.631338 0.368662 0.868662 Sr\n0.339426 0.660574 0.160574 Si\n0.660574 0.160574 0.339426 Si\n0.160574 0.339426 0.660574 Si\n0.839426 0.839426 0.839426 Si\n0.587813 0.912187 0.087813 Pt\n0.412187 0.412187 0.412187 Pt\n0.912187 0.087813 0.587813 Pt\n0.087813 0.587813 0.912187 Pt\n",
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],
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"formula_full": "Sr4 Si4 Pt4",
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"updated_at": "2021-11-28T01:37:09.173000Z",
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{
"id": "mp-496",
"created_at": "2022-09-04T14:39:25.515847Z",
"structure_string": "Sr4 Si8\n1.0\n6.563799 0.000000 0.000000\n0.000000 6.563799 0.000000\n0.000000 0.000000 6.563799\nSr Si\n4 8\ndirect\n0.625000 0.375000 0.875000 Sr\n0.375000 0.875000 0.625000 Sr\n0.875000 0.625000 0.375000 Sr\n0.125000 0.125000 0.125000 Sr\n0.827907 0.827907 0.827907 Si\n0.577907 0.922093 0.077907 Si\n0.922093 0.077907 0.577907 Si\n0.077907 0.577907 0.922093 Si\n0.422093 0.422093 0.422093 Si\n0.172093 0.327907 0.672093 Si\n0.672093 0.172093 0.327907 Si\n0.327907 0.672093 0.172093 Si\n",
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"elements": [
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],
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"density": 3.377341469535308,
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"volume": 282.7911540236804,
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"formula_full": "Sr4 Si8",
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"updated_at": "2021-11-28T01:34:32.069000Z",
"spacegroup": 212
},
{
"id": "mp-14172",
"created_at": "2022-09-04T14:45:53.813878Z",
"structure_string": "Sr4 Si8\n1.0\n6.563943 0.000000 0.000000\n0.000000 6.563943 0.000000\n0.000000 0.000000 6.563943\nSr Si\n4 8\ndirect\n0.875000 0.125000 0.625000 Sr\n0.125000 0.625000 0.875000 Sr\n0.625000 0.875000 0.125000 Sr\n0.375000 0.375000 0.375000 Sr\n0.672066 0.672066 0.672066 Si\n0.922066 0.577934 0.422066 Si\n0.577934 0.422066 0.922066 Si\n0.422066 0.922066 0.577934 Si\n0.077934 0.077934 0.077934 Si\n0.327934 0.172066 0.827934 Si\n0.827934 0.327934 0.172066 Si\n0.172066 0.827934 0.327934 Si\n",
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{
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"created_at": "2022-09-04T14:45:56.876009Z",
"structure_string": "Sr4 Si8 B8 O32\n1.0\n7.986202 0.000000 0.000000\n0.000000 8.287757 0.000000\n0.000000 0.000000 9.032324\nSr Si B O\n4 8 8 32\ndirect\n0.250000 0.891668 0.576445 Sr\n0.750000 0.108332 0.423555 Sr\n0.250000 0.391668 0.923555 Sr\n0.750000 0.608332 0.076445 Sr\n0.057678 0.437486 0.309308 Si\n0.557678 0.562514 0.690692 Si\n0.442322 0.937486 0.190692 Si\n0.942322 0.062514 0.809308 Si\n0.942322 0.562514 0.690692 Si\n0.442322 0.437486 0.309308 Si\n0.557678 0.062514 0.809308 Si\n0.057678 0.937486 0.190692 Si\n0.918520 0.732654 0.414634 B\n0.918520 0.232654 0.085366 B\n0.418520 0.767346 0.914634 B\n0.581480 0.732654 0.414634 B\n0.081480 0.267346 0.585366 B\n0.418520 0.267346 0.585366 B\n0.581480 0.232654 0.085366 B\n0.081480 0.767346 0.914634 B\n0.250000 0.699070 0.914539 O\n0.750000 0.800930 0.414539 O\n0.250000 0.199070 0.585461 O\n0.750000 0.300930 0.085461 O\n0.750000 0.996771 0.826098 O\n0.250000 0.003229 0.173902 O\n0.750000 0.496771 0.673902 O\n0.250000 0.503229 0.326098 O\n0.928078 0.089534 0.181185 O\n0.428078 0.910466 0.818815 O\n0.571922 0.589534 0.318815 O\n0.071922 0.410466 0.681185 O\n0.013352 0.801903 0.065339 O\n0.513352 0.198097 0.934661 O\n0.486648 0.301903 0.434661 O\n0.986648 0.698097 0.565339 O\n0.986648 0.198097 0.934661 O\n0.486648 0.801903 0.065339 O\n0.513352 0.698097 0.565339 O\n0.013352 0.301903 0.434661 O\n0.034309 0.863875 0.358357 O\n0.534309 0.136125 0.641643 O\n0.465691 0.363875 0.141643 O\n0.965691 0.636125 0.858357 O\n0.965691 0.136125 0.641643 O\n0.465691 0.863875 0.358357 O\n0.534309 0.636125 0.858357 O\n0.034309 0.363875 0.141643 O\n0.928078 0.589534 0.318815 O\n0.428078 0.410466 0.681185 O\n0.571922 0.089534 0.181185 O\n0.071922 0.910466 0.818815 O\n",
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"elements": [
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"formula_full": "Sr4 Si8 B8 O32",
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{
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"created_at": "2022-09-04T14:40:24.466863Z",
"structure_string": "Sr4 Si8 O20\n1.0\n2.646978 -4.691486 0.000000\n2.646978 4.691486 0.000000\n0.000000 0.000000 13.669367\nSr Si O\n4 8 20\ndirect\n0.660740 0.339260 0.916087 Sr\n0.160740 0.839260 0.583913 Sr\n0.339260 0.660740 0.083913 Sr\n0.839260 0.160740 0.416087 Sr\n0.494250 0.505750 0.638549 Si\n0.005750 0.994250 0.138549 Si\n0.173844 0.826156 0.316397 Si\n0.994250 0.005750 0.861451 Si\n0.826156 0.173844 0.683603 Si\n0.505750 0.494250 0.361451 Si\n0.326156 0.673844 0.816397 Si\n0.673844 0.326156 0.183603 Si\n0.834987 0.165013 0.102625 O\n0.844401 0.664695 0.406174 O\n0.164695 0.344401 0.906174 O\n0.165013 0.834987 0.897375 O\n0.334987 0.665013 0.397375 O\n0.665013 0.334987 0.602625 O\n0.488235 0.511765 0.756927 O\n0.664695 0.844401 0.593826 O\n0.011765 0.988235 0.256927 O\n0.335305 0.155599 0.406174 O\n0.344401 0.164695 0.093826 O\n0.003462 0.496538 0.750000 O\n0.155599 0.335305 0.593826 O\n0.655599 0.835305 0.906174 O\n0.835305 0.655599 0.093826 O\n0.988235 0.011765 0.743073 O\n0.996538 0.503462 0.250000 O\n0.496538 0.003462 0.250000 O\n0.511765 0.488235 0.243073 O\n0.503462 0.996538 0.750000 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Si-Sr",
"density": 4.378312218316385,
"density_atomic": 0.09425639436981759,
"volume": 339.4995131518304,
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"formula_full": "Sr4 Si8 O20",
"formula_reduced": "SrSi2O5",
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"updated_at": "2021-11-28T01:34:54.605000Z",
"spacegroup": 64
},
{
"id": "mp-1208755",
"created_at": "2022-09-04T14:41:29.083154Z",
"structure_string": "Sr4 Sm2 Bi2 O12\n1.0\n4.898925 0.000000 -3.429650\n0.000000 6.169254 0.000000\n4.910174 0.000000 7.020482\nSr Sm Bi O\n4 2 2 12\ndirect\n0.013173 0.451906 0.252678 Sr\n0.986827 0.548094 0.747322 Sr\n0.486828 0.951906 0.247322 Sr\n0.513173 0.048094 0.752678 Sr\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.900485 0.041898 0.239403 O\n0.099515 0.958102 0.760597 O\n0.599515 0.541898 0.260597 O\n0.400485 0.458102 0.739403 O\n0.192180 0.715236 0.056997 O\n0.807820 0.284764 0.943003 O\n0.307820 0.215236 0.443003 O\n0.692180 0.784764 0.556997 O\n0.289136 0.194364 0.048362 O\n0.710864 0.805636 0.951638 O\n0.210864 0.694364 0.451638 O\n0.789136 0.305636 0.548362 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-O-Sm-Sr",
"density": 6.625744761410755,
"density_atomic": 0.06327725283714397,
"volume": 316.06934724985297,
"volume_molar": 9.517070495299667,
"formula_full": "Sr4 Sm2 Bi2 O12",
"formula_reduced": "Sr2SmBiO6",
"formula_anonymous": "ABC2D6",
"energy": -139.58438999,
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"updated_at": "2021-11-28T01:35:21.063000Z",
"spacegroup": 14
}
]
}