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{
"id": "mp-21851",
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"structure_string": "Mn4 Si4 Ir4\n1.0\n3.875446 0.000000 0.000000\n0.000000 6.055244 0.000000\n0.000000 0.000000 7.237842\nMn Si Ir\n4 4 4\ndirect\n0.750000 0.968676 0.180281 Mn\n0.250000 0.031324 0.819719 Mn\n0.750000 0.468676 0.319719 Mn\n0.250000 0.531324 0.680281 Mn\n0.250000 0.267472 0.123337 Si\n0.750000 0.732528 0.876663 Si\n0.250000 0.767472 0.376663 Si\n0.750000 0.232528 0.623337 Si\n0.250000 0.663593 0.062438 Ir\n0.750000 0.336407 0.937562 Ir\n0.250000 0.163593 0.437562 Ir\n0.750000 0.836407 0.562438 Ir\n",
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{
"id": "mp-8700",
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},
{
"id": "mp-542387",
"created_at": "2022-09-04T14:40:37.670216Z",
"structure_string": "Na24 Tl4 Sb16\n1.0\n5.400292 7.541673 0.000000\n-5.400292 7.541673 0.000000\n0.000000 7.296640 16.236433\nNa Tl Sb\n24 4 16\ndirect\n0.529234 0.856370 0.946471 Na\n0.143630 0.470766 0.553529 Na\n0.470766 0.143630 0.053529 Na\n0.856370 0.529234 0.446471 Na\n0.943345 0.653255 0.900588 Na\n0.346745 0.056655 0.599412 Na\n0.056655 0.346745 0.099412 Na\n0.653255 0.943345 0.400588 Na\n0.784687 0.977399 0.738074 Na\n0.022601 0.215313 0.761926 Na\n0.215313 0.022601 0.261926 Na\n0.977399 0.784687 0.238074 Na\n0.493706 0.728981 0.765391 Na\n0.271019 0.506294 0.734609 Na\n0.506294 0.271019 0.234609 Na\n0.728981 0.493706 0.265391 Na\n0.157080 0.884462 0.922836 Na\n0.115538 0.842920 0.577164 Na\n0.842920 0.115538 0.077164 Na\n0.884462 0.157080 0.422836 Na\n0.717103 0.418607 0.908146 Na\n0.581393 0.282897 0.591854 Na\n0.282897 0.581393 0.091854 Na\n0.418607 0.717103 0.408146 Na\n0.558771 0.257199 0.830963 Tl\n0.742801 0.441229 0.669037 Tl\n0.441229 0.742801 0.169037 Tl\n0.257199 0.558771 0.330963 Tl\n0.296295 0.497249 0.927298 Sb\n0.502751 0.703705 0.572702 Sb\n0.703705 0.502751 0.072702 Sb\n0.497249 0.296295 0.427298 Sb\n0.796131 0.016177 0.928717 Sb\n0.983823 0.203869 0.571283 Sb\n0.203869 0.983823 0.071283 Sb\n0.016177 0.796131 0.428717 Sb\n0.383213 0.097409 0.770675 Sb\n0.902591 0.616787 0.729325 Sb\n0.616787 0.902591 0.229325 Sb\n0.097409 0.383213 0.270675 Sb\n0.854550 0.732328 0.085806 Sb\n0.267672 0.145450 0.414194 Sb\n0.145450 0.267672 0.914194 Sb\n0.732328 0.854550 0.585806 Sb\n",
"nsites": 44,
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"density_atomic": 0.0332695644213589,
"volume": 1322.530089145147,
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"formula_full": "Na24 Tl4 Sb16",
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"energy": -123.10929199,
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},
{
"id": "mp-13771",
"created_at": "2022-09-04T14:40:37.688956Z",
"structure_string": "Sc8 Cd12 Ge12 O48\n1.0\n-6.323824 6.323824 6.323824\n6.323824 -6.323824 6.323824\n6.323824 6.323824 -6.323824\nSc Cd Ge O\n8 12 12 48\ndirect\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.500000 Sc\n0.875000 0.625000 0.250000 Cd\n0.625000 0.250000 0.875000 Cd\n0.875000 0.750000 0.625000 Cd\n0.750000 0.625000 0.875000 Cd\n0.250000 0.875000 0.625000 Cd\n0.625000 0.875000 0.750000 Cd\n0.125000 0.375000 0.750000 Cd\n0.375000 0.750000 0.125000 Cd\n0.125000 0.250000 0.375000 Cd\n0.250000 0.375000 0.125000 Cd\n0.750000 0.125000 0.375000 Cd\n0.375000 0.125000 0.250000 Cd\n0.125000 0.875000 0.250000 Ge\n0.250000 0.125000 0.875000 Ge\n0.750000 0.375000 0.625000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.625000 0.750000 Ge\n0.125000 0.750000 0.875000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.250000 0.125000 Ge\n0.375000 0.250000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.875000 0.125000 0.750000 Ge\n0.414908 0.810809 0.793364 O\n0.878456 0.395901 0.085092 O\n0.104099 0.982555 0.689191 O\n0.517445 0.621544 0.706636 O\n0.689191 0.085092 0.706636 O\n0.621544 0.706636 0.517445 O\n0.621544 0.414908 0.104099 O\n0.706636 0.517445 0.621544 O\n0.810809 0.517445 0.395901 O\n0.982555 0.793364 0.878456 O\n0.793364 0.878456 0.982555 O\n0.706636 0.689191 0.085092 O\n0.414908 0.104099 0.621544 O\n0.395901 0.810809 0.517445 O\n0.085092 0.706636 0.689191 O\n0.104099 0.621544 0.414908 O\n0.517445 0.395901 0.810809 O\n0.085092 0.878456 0.395901 O\n0.982555 0.689191 0.104099 O\n0.189191 0.482555 0.604099 O\n0.689191 0.104099 0.982555 O\n0.793364 0.414908 0.810809 O\n0.395901 0.085092 0.878456 O\n0.878456 0.982555 0.793364 O\n0.585092 0.189191 0.206636 O\n0.121544 0.604099 0.914908 O\n0.895901 0.017445 0.310809 O\n0.482555 0.378456 0.293364 O\n0.310809 0.914908 0.293364 O\n0.378456 0.293364 0.482555 O\n0.378456 0.585092 0.895901 O\n0.293364 0.482555 0.378456 O\n0.121544 0.017445 0.206636 O\n0.604099 0.914908 0.121544 O\n0.206636 0.585092 0.189191 O\n0.189191 0.206636 0.585092 O\n0.310809 0.895901 0.017445 O\n0.017445 0.310809 0.895901 O\n0.914908 0.121544 0.604099 O\n0.482555 0.604099 0.189191 O\n0.895901 0.378456 0.585092 O\n0.914908 0.293364 0.310809 O\n0.604099 0.189191 0.482555 O\n0.585092 0.895901 0.378456 O\n0.293364 0.310809 0.914908 O\n0.206636 0.121544 0.017445 O\n0.017445 0.206636 0.121544 O\n0.810809 0.793364 0.414908 O\n",
"nsites": 80,
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"elements": [
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],
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"formula_full": "Sc8 Cd12 Ge12 O48",
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"spacegroup": 230
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{
"id": "mp-24402",
"created_at": "2022-09-04T14:40:37.750797Z",
"structure_string": "Ca4 Al4 Si4 H4 O20\n1.0\n5.751519 0.000000 0.000000\n0.000000 7.119977 0.000000\n0.000000 0.000000 8.605031\nCa Al Si H O\n4 4 4 4 20\ndirect\n0.469705 0.636306 0.164361 Ca\n0.969705 0.863694 0.835639 Ca\n0.530295 0.136306 0.335639 Ca\n0.030295 0.363694 0.664361 Ca\n0.242827 0.237662 0.005334 Al\n0.742827 0.262338 0.994666 Al\n0.257173 0.762339 0.505334 Al\n0.757173 0.737661 0.494666 Al\n0.987580 0.379137 0.310186 Si\n0.012420 0.879137 0.189814 Si\n0.487580 0.120863 0.689814 Si\n0.512420 0.620863 0.810186 Si\n0.479936 0.477162 0.493074 H\n0.979936 0.022838 0.506926 H\n0.520064 0.977162 0.006926 H\n0.020064 0.522838 0.993074 H\n0.494405 0.604443 0.435795 O\n0.994405 0.895557 0.564205 O\n0.505595 0.104443 0.064205 O\n0.005595 0.395557 0.935795 O\n0.758321 0.386431 0.192910 O\n0.258321 0.113569 0.807090 O\n0.241679 0.886431 0.307090 O\n0.741679 0.613569 0.692910 O\n0.491300 0.429993 0.928801 O\n0.991300 0.070007 0.071199 O\n0.508700 0.929993 0.571199 O\n0.008700 0.570007 0.428801 O\n0.572192 0.788853 0.932944 O\n0.072192 0.711147 0.067056 O\n0.427808 0.288853 0.567056 O\n0.927808 0.211147 0.432944 O\n0.267777 0.648622 0.710703 O\n0.767777 0.851378 0.289297 O\n0.732223 0.148622 0.789297 O\n0.232223 0.351378 0.210703 O\n",
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"formula_full": "Ca4 Al4 Si4 H4 O20",
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{
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"structure_string": "K1 S1\n1.0\n0.000000 3.255507 3.255507\n3.255507 0.000000 3.255507\n3.255507 3.255507 0.000000\nK S\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 S\n",
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{
"id": "mp-1179195",
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"structure_string": "Si20 O30\n1.0\n4.534758 10.037550 0.000000\n-4.534758 10.037550 0.000000\n0.000000 9.358833 10.924539\nSi O\n20 30\ndirect\n0.280001 0.731550 0.633949 Si\n0.268450 0.719999 0.866051 Si\n0.719999 0.268450 0.366051 Si\n0.731550 0.280001 0.133949 Si\n0.902064 0.766340 0.781136 Si\n0.233660 0.097936 0.718864 Si\n0.097936 0.233660 0.218864 Si\n0.766340 0.902064 0.281136 Si\n0.630529 0.165361 0.728257 Si\n0.834639 0.369471 0.771743 Si\n0.369471 0.834639 0.271743 Si\n0.165361 0.630529 0.228257 Si\n0.626254 0.153669 0.956087 Si\n0.846331 0.373746 0.543913 Si\n0.373746 0.846331 0.043913 Si\n0.153669 0.626254 0.456087 Si\n0.893972 0.750066 0.013399 Si\n0.249934 0.106028 0.486601 Si\n0.106028 0.249934 0.986601 Si\n0.750066 0.893972 0.513399 Si\n0.088380 0.758290 0.680896 O\n0.241710 0.911620 0.819104 O\n0.911620 0.241710 0.319104 O\n0.758290 0.088380 0.180896 O\n0.750299 0.961490 0.737158 O\n0.038510 0.249701 0.762842 O\n0.249701 0.038510 0.262842 O\n0.961490 0.750299 0.237158 O\n0.745666 0.263339 0.615193 O\n0.736661 0.254334 0.884807 O\n0.254334 0.736661 0.384807 O\n0.263339 0.745666 0.115193 O\n0.752384 0.947776 0.015007 O\n0.052224 0.247616 0.484993 O\n0.247616 0.052224 0.984993 O\n0.947776 0.752384 0.515007 O\n0.280058 0.914673 0.530123 O\n0.085327 0.719942 0.969877 O\n0.719942 0.085327 0.469877 O\n0.914673 0.280058 0.030123 O\n0.318370 0.681630 0.750000 O\n0.681630 0.318370 0.250000 O\n0.887305 0.717010 0.919006 O\n0.282990 0.112695 0.580994 O\n0.112695 0.282990 0.080994 O\n0.717010 0.887305 0.419006 O\n0.572352 0.179439 0.858011 O\n0.820561 0.427648 0.641989 O\n0.427648 0.820561 0.141989 O\n0.179439 0.572352 0.358011 O\n",
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{
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