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{
"id": "mp-1218956",
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"structure_string": "Sr20 P12 Br1 O48 F3\n1.0\n-7.347271 0.000000 0.000000\n-0.001182 9.928272 0.000000\n-0.000013 0.004180 -17.198971\nSr P Br O F\n20 12 1 48 3\ndirect\n0.500568 0.501976 0.167819 Sr\n0.501179 0.997952 0.665591 Sr\n0.002352 0.994305 0.332325 Sr\n0.004451 0.504589 0.834872 Sr\n0.502136 0.999064 0.336503 Sr\n0.505225 0.501052 0.830155 Sr\n0.995957 0.500612 0.166567 Sr\n0.996859 0.999169 0.666684 Sr\n0.251357 0.616753 0.376008 Sr\n0.255204 0.125834 0.862550 Sr\n0.258110 0.734509 0.005416 Sr\n0.249482 0.253081 0.504092 Sr\n0.255898 0.141152 0.131952 Sr\n0.251061 0.629442 0.620131 Sr\n0.748216 0.881795 0.123608 Sr\n0.750358 0.383505 0.624004 Sr\n0.750651 0.747239 0.496707 Sr\n0.747710 0.241958 0.997003 Sr\n0.750360 0.371551 0.379946 Sr\n0.747943 0.874239 0.878832 Sr\n0.250075 0.287431 0.317712 P\n0.248362 0.782955 0.814102 P\n0.248268 0.829962 0.201806 P\n0.250268 0.332619 0.697162 P\n0.249794 0.884161 0.485908 P\n0.248544 0.383134 0.983273 P\n0.750384 0.217657 0.187591 P\n0.750537 0.713491 0.684679 P\n0.749695 0.670597 0.301175 P\n0.750915 0.171959 0.797088 P\n0.750160 0.609820 0.015430 P\n0.750622 0.116075 0.513970 P\n0.079657 0.000574 0.999971 Br\n0.420804 0.293343 0.370966 O\n0.412221 0.792325 0.871553 O\n0.411581 0.911998 0.168217 O\n0.421388 0.408921 0.667680 O\n0.421591 0.803265 0.460951 O\n0.410178 0.289045 0.960962 O\n0.923463 0.218744 0.135383 O\n0.922589 0.713805 0.631826 O\n0.922585 0.592315 0.327558 O\n0.923328 0.092201 0.822576 O\n0.924495 0.685477 0.042525 O\n0.921475 0.197372 0.540002 O\n0.580136 0.217771 0.133340 O\n0.580452 0.712009 0.630648 O\n0.579570 0.590434 0.328827 O\n0.580836 0.090237 0.824214 O\n0.581802 0.692094 0.043785 O\n0.578762 0.196792 0.539229 O\n0.078857 0.293191 0.370543 O\n0.070188 0.768743 0.861924 O\n0.069548 0.908341 0.184989 O\n0.079299 0.409492 0.668099 O\n0.079104 0.802685 0.459836 O\n0.068708 0.319434 0.954021 O\n0.251461 0.148593 0.274343 O\n0.268012 0.650723 0.765073 O\n0.268227 0.823211 0.292443 O\n0.251441 0.336441 0.788279 O\n0.249763 0.021582 0.441626 O\n0.271156 0.519710 0.938069 O\n0.747980 0.352031 0.234660 O\n0.747180 0.848201 0.732204 O\n0.747019 0.674812 0.210002 O\n0.748143 0.175477 0.706459 O\n0.744925 0.471084 0.058077 O\n0.750184 0.978321 0.558370 O\n0.249983 0.405346 0.257711 O\n0.245826 0.909105 0.759933 O\n0.245961 0.685829 0.165788 O\n0.249908 0.183546 0.668191 O\n0.247326 0.409366 0.072619 O\n0.248615 0.906601 0.575738 O\n0.747910 0.092332 0.241804 O\n0.751985 0.589342 0.739879 O\n0.749553 0.815615 0.335747 O\n0.749313 0.315743 0.832622 O\n0.752239 0.093578 0.424416 O\n0.747266 0.593321 0.925588 O\n0.250254 0.499615 0.500047 F\n0.652777 0.998636 0.000104 F\n0.750275 0.501590 0.499924 F\n",
"nsites": 84,
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"formula_full": "Sr20 P12 Br1 O48 F3",
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"spacegroup": 1
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{
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"structure_string": "Y6 Si6 Rh2\n1.0\n2.118345 5.302445 0.000000\n-2.118345 5.302445 0.000000\n0.000000 4.826622 12.700970\nY Si Rh\n6 6 2\ndirect\n0.602528 0.602528 0.078868 Y\n0.397472 0.397472 0.921132 Y\n0.521596 0.521596 0.624732 Y\n0.478404 0.478404 0.375268 Y\n0.256974 0.256974 0.227257 Y\n0.743026 0.743026 0.772743 Y\n0.952877 0.952877 0.236592 Si\n0.047123 0.047123 0.763408 Si\n0.869390 0.869390 0.543912 Si\n0.130610 0.130610 0.456088 Si\n0.112965 0.112965 0.924828 Si\n0.887035 0.887035 0.075172 Si\n0.753389 0.753389 0.415490 Rh\n0.246611 0.246611 0.584510 Rh\n",
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{
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"created_at": "2022-09-04T14:39:10.646146Z",
"structure_string": "Th4 Co2 B20\n1.0\n4.179266 0.000000 0.000000\n0.000000 5.617551 0.000000\n0.000000 0.000000 11.219420\nTh Co B\n4 2 20\ndirect\n0.500000 0.301837 0.865490 Th\n0.500000 0.698163 0.134510 Th\n0.500000 0.801837 0.634510 Th\n0.500000 0.198163 0.365490 Th\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.127102 0.540017 B\n0.000000 0.872898 0.459983 B\n0.000000 0.627102 0.959983 B\n0.000000 0.372898 0.040017 B\n0.000000 0.152652 0.697091 B\n0.000000 0.847348 0.302909 B\n0.299937 0.200791 0.113493 B\n0.299937 0.799209 0.886507 B\n0.700063 0.700791 0.386507 B\n0.700063 0.299209 0.613493 B\n0.700063 0.799209 0.886507 B\n0.700063 0.200791 0.113493 B\n0.299937 0.299209 0.613493 B\n0.299937 0.700791 0.386507 B\n0.000000 0.034739 0.187213 B\n0.000000 0.965261 0.812787 B\n0.000000 0.534739 0.312787 B\n0.000000 0.465261 0.687213 B\n0.000000 0.347348 0.197091 B\n0.000000 0.652652 0.802909 B\n",
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},
{
"id": "mp-1247194",
"created_at": "2022-09-04T14:39:10.648960Z",
"structure_string": "Sr2 Ge14 N20\n1.0\n7.264563 0.000000 0.024803\n0.000000 7.166738 0.000000\n-2.765556 0.000000 9.861136\nSr Ge N\n2 14 20\ndirect\n0.914554 0.024023 0.634939 Sr\n0.914554 0.975977 0.134939 Sr\n0.545116 0.970763 0.826799 Ge\n0.545116 0.029237 0.326799 Ge\n0.349497 0.028064 0.017569 Ge\n0.349497 0.971936 0.517569 Ge\n0.111978 0.393162 0.075206 Ge\n0.111978 0.606838 0.575206 Ge\n0.665543 0.365412 0.993269 Ge\n0.665543 0.634588 0.493269 Ge\n0.851466 0.627487 0.812803 Ge\n0.851466 0.372513 0.312803 Ge\n0.297222 0.621866 0.884401 Ge\n0.297222 0.378134 0.384401 Ge\n0.486242 0.369985 0.689104 Ge\n0.486242 0.630015 0.189104 Ge\n0.772653 0.860107 0.842285 N\n0.772653 0.139893 0.342285 N\n0.572972 0.126698 0.979818 N\n0.572972 0.873302 0.479818 N\n0.317532 0.874800 0.862403 N\n0.317532 0.125200 0.362403 N\n0.141862 0.154463 0.026771 N\n0.141862 0.845537 0.526771 N\n0.284093 0.498403 0.725358 N\n0.284093 0.501597 0.225358 N\n0.458965 0.115949 0.672215 N\n0.458965 0.884051 0.172215 N\n0.886792 0.372394 0.133765 N\n0.886792 0.627606 0.633765 N\n0.080348 0.583501 0.943649 N\n0.080348 0.416499 0.443649 N\n0.707792 0.414732 0.824934 N\n0.707792 0.585268 0.324934 N\n0.497676 0.538591 0.024012 N\n0.497676 0.461409 0.524012 N\n",
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"formula_full": "Sr2 Ge14 N20",
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{
"id": "mp-1376317",
"created_at": "2022-09-04T14:39:10.654857Z",
"structure_string": "Rb6 P6 H8 O24\n1.0\n8.827582 0.000000 0.000000\n-2.959586 9.245255 0.000000\n-0.708601 -5.301732 8.132780\nRb P H O\n6 6 8 24\ndirect\n0.137601 0.060291 0.212333 Rb\n0.593341 0.333382 0.487575 Rb\n0.758168 0.320857 0.981752 Rb\n0.241832 0.679143 0.018248 Rb\n0.406659 0.666618 0.512425 Rb\n0.862399 0.939709 0.787667 Rb\n0.958948 0.607331 0.227974 P\n0.089038 0.303997 0.398241 P\n0.252152 0.222491 0.754226 P\n0.747848 0.777509 0.245774 P\n0.910962 0.696003 0.601759 P\n0.041052 0.392669 0.772026 P\n0.378548 0.035294 0.077353 H\n0.596928 0.065127 0.342860 H\n0.785083 0.124349 0.394436 H\n0.493463 0.087759 0.798742 H\n0.506537 0.912241 0.201258 H\n0.214917 0.875651 0.605564 H\n0.403072 0.934873 0.657140 H\n0.621452 0.964706 0.922647 H\n0.467865 0.007520 0.182732 O\n0.969793 0.196873 0.322259 O\n0.682376 0.093789 0.428668 O\n0.464848 0.439109 0.046910 O\n0.987761 0.430439 0.379870 O\n0.902686 0.598933 0.066362 O\n0.897358 0.269317 0.745599 O\n0.124026 0.193983 0.597373 O\n0.213573 0.076815 0.904114 O\n0.246975 0.390114 0.350871 O\n0.426808 0.269585 0.740558 O\n0.797746 0.619318 0.266211 O\n0.202254 0.380682 0.733789 O\n0.573192 0.730415 0.259442 O\n0.753025 0.609886 0.649129 O\n0.786427 0.923185 0.095886 O\n0.875974 0.806017 0.402627 O\n0.102642 0.730683 0.254401 O\n0.097314 0.401067 0.933638 O\n0.012239 0.569561 0.620130 O\n0.535152 0.560891 0.953090 O\n0.317624 0.906211 0.571332 O\n0.030207 0.803127 0.677741 O\n0.532135 0.992480 0.817268 O\n",
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{
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"created_at": "2022-09-04T14:39:07.493389Z",
"structure_string": "Li2 Mg1 Hg1\n1.0\n0.000000 3.364531 3.364531\n3.364531 0.000000 3.364531\n3.364531 3.364531 0.000000\nLi Mg Hg\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n",
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{
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"structure_string": "Li6 Dy2\n1.0\n3.258447 -5.643796 0.000000\n3.258447 5.643796 0.000000\n0.000000 0.000000 5.094581\nLi Dy\n6 2\ndirect\n0.151013 0.302026 0.250000 Li\n0.697974 0.848987 0.250000 Li\n0.151013 0.848987 0.250000 Li\n0.848987 0.697974 0.750000 Li\n0.302026 0.151013 0.750000 Li\n0.848987 0.151013 0.750000 Li\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
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{
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{
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{
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}