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{
"id": "mp-557330",
"created_at": "2022-09-04T14:41:18.991853Z",
"structure_string": "Sr8 B20 Cl4 O36\n1.0\n6.566793 0.000000 0.000000\n0.000000 11.454290 0.000000\n0.000000 0.000000 11.540263\nSr B Cl O\n8 20 4 36\ndirect\n0.841636 0.741509 0.473466 Sr\n0.006001 0.955942 0.747540 Sr\n0.506001 0.455942 0.752460 Sr\n0.506001 0.544058 0.247540 Sr\n0.341636 0.758491 0.973466 Sr\n0.006001 0.044058 0.252460 Sr\n0.341636 0.241509 0.026534 Sr\n0.841636 0.258491 0.526534 Sr\n0.474221 0.993466 0.249402 B\n0.474221 0.006534 0.750598 B\n0.808504 0.734851 0.035808 B\n0.030091 0.715130 0.206647 B\n0.808504 0.265149 0.964192 B\n0.308504 0.765149 0.535808 B\n0.308504 0.234851 0.464192 B\n0.848175 0.294294 0.188047 B\n0.848175 0.705706 0.811953 B\n0.974221 0.493466 0.250598 B\n0.200337 0.321562 0.273617 B\n0.974221 0.506534 0.749402 B\n0.030091 0.284870 0.793353 B\n0.700337 0.178438 0.773617 B\n0.348175 0.205706 0.688047 B\n0.348175 0.794294 0.311953 B\n0.700337 0.821562 0.226383 B\n0.530091 0.784870 0.706647 B\n0.530091 0.215130 0.293353 B\n0.200337 0.678438 0.726383 B\n0.403658 0.500000 0.000000 Cl\n0.648806 0.500000 0.500000 Cl\n0.148806 0.000000 0.000000 Cl\n0.903658 0.000000 0.500000 Cl\n0.748284 0.266040 0.077252 O\n0.153621 0.266128 0.387644 O\n0.568709 0.233922 0.684815 O\n0.568709 0.766078 0.315185 O\n0.320230 0.921754 0.287716 O\n0.153621 0.733872 0.612356 O\n0.248284 0.233960 0.577252 O\n0.916901 0.814328 0.255696 O\n0.929385 0.610241 0.263096 O\n0.820230 0.578246 0.787716 O\n0.750170 0.778008 0.721263 O\n0.416901 0.685672 0.755696 O\n0.416901 0.314328 0.244304 O\n0.998665 0.708209 0.076834 O\n0.820230 0.421754 0.212284 O\n0.160489 0.550253 0.718623 O\n0.498665 0.791791 0.576834 O\n0.429385 0.110241 0.236904 O\n0.250170 0.278008 0.778737 O\n0.929385 0.389759 0.736904 O\n0.750170 0.221992 0.278737 O\n0.248284 0.766040 0.422748 O\n0.068709 0.733922 0.815185 O\n0.748284 0.733960 0.922748 O\n0.653621 0.766128 0.112356 O\n0.160489 0.449747 0.281377 O\n0.998665 0.291791 0.923166 O\n0.068709 0.266078 0.184815 O\n0.498665 0.208209 0.423166 O\n0.429385 0.889759 0.763096 O\n0.653621 0.233872 0.887644 O\n0.660489 0.050253 0.781377 O\n0.916901 0.185672 0.744304 O\n0.320230 0.078246 0.712284 O\n0.250170 0.721992 0.221263 O\n0.660489 0.949747 0.218623 O\n",
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"formula_full": "Sr8 B20 Cl4 O36",
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"updated_at": "2021-11-28T01:35:14.094000Z",
"spacegroup": 34
},
{
"id": "mp-3273",
"created_at": "2022-09-04T14:40:15.040690Z",
"structure_string": "Si5 P6 O25\n1.0\n8.430202 -3.990047 0.000000\n8.430202 3.990047 0.000000\n6.541697 0.000000 6.647930\nSi P O\n5 6 25\ndirect\n0.000000 0.000000 0.000000 Si\n0.180781 0.180781 0.180781 Si\n0.819219 0.819219 0.819219 Si\n0.433976 0.433976 0.433976 Si\n0.566024 0.566024 0.566024 Si\n0.074389 0.377259 0.825681 P\n0.377259 0.825681 0.074389 P\n0.825681 0.074389 0.377259 P\n0.925611 0.622741 0.174319 P\n0.622741 0.174319 0.925611 P\n0.174319 0.925611 0.622741 P\n0.148396 0.093727 0.427023 O\n0.427023 0.148396 0.093727 O\n0.093727 0.427023 0.148396 O\n0.851604 0.906273 0.572977 O\n0.572977 0.851604 0.906273 O\n0.906273 0.572977 0.851604 O\n0.406419 0.787743 0.576642 O\n0.576642 0.406419 0.787743 O\n0.787743 0.576642 0.406419 O\n0.593581 0.212257 0.423358 O\n0.423358 0.593581 0.212257 O\n0.500000 0.500000 0.500000 O\n0.217095 0.271138 0.926790 O\n0.271138 0.926790 0.217095 O\n0.926790 0.217095 0.271138 O\n0.782905 0.728862 0.073210 O\n0.728862 0.073210 0.782905 O\n0.073210 0.782905 0.728862 O\n0.977059 0.249050 0.896027 O\n0.249050 0.896027 0.977059 O\n0.896027 0.977059 0.249050 O\n0.022941 0.750950 0.103973 O\n0.750950 0.103973 0.022941 O\n0.103973 0.022941 0.750950 O\n0.212257 0.423358 0.593581 O\n",
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"formula_full": "Si5 P6 O25",
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"energy": -286.7026339,
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"spacegroup": 148
},
{
"id": "mp-1227907",
"created_at": "2022-09-04T14:45:06.418787Z",
"structure_string": "Ca4 Ti10 Bi8 O36\n1.0\n2.758243 -24.437962 0.000000\n2.758243 24.437962 0.000000\n0.000000 0.000000 5.472191\nCa Ti Bi O\n4 10 8 36\ndirect\n0.532158 0.452823 0.490958 Ca\n0.452823 0.532158 0.509042 Ca\n0.032158 0.952823 0.009042 Ca\n0.952823 0.032158 0.990958 Ca\n0.843458 0.177728 0.497535 Ti\n0.177728 0.843458 0.502465 Ti\n0.343458 0.677728 0.002465 Ti\n0.677728 0.343458 0.997535 Ti\n0.007656 0.007656 0.500000 Ti\n0.507656 0.507656 0.000000 Ti\n0.937620 0.093110 0.494205 Ti\n0.093110 0.937620 0.505795 Ti\n0.437620 0.593110 0.005795 Ti\n0.593110 0.437620 0.994205 Ti\n0.723485 0.275713 0.528566 Bi\n0.275713 0.723485 0.471434 Bi\n0.223485 0.775713 0.971434 Bi\n0.775713 0.223485 0.028566 Bi\n0.591210 0.341425 0.491452 Bi\n0.341425 0.591210 0.508548 Bi\n0.091210 0.841425 0.008548 Bi\n0.841425 0.091210 0.991452 Bi\n0.021058 0.099193 0.417449 O\n0.099193 0.021058 0.582551 O\n0.521058 0.599193 0.082551 O\n0.599193 0.521058 0.917449 O\n0.287409 0.273346 0.243828 O\n0.273346 0.287409 0.756172 O\n0.787409 0.773346 0.256172 O\n0.773346 0.787409 0.743828 O\n0.333201 0.190429 0.206485 O\n0.190429 0.333201 0.793515 O\n0.833201 0.690429 0.293515 O\n0.690429 0.833201 0.706485 O\n0.270004 0.437612 0.303891 O\n0.437612 0.270004 0.696109 O\n0.770004 0.937612 0.196109 O\n0.937612 0.770004 0.803891 O\n0.817989 0.223621 0.435311 O\n0.223621 0.817989 0.564689 O\n0.317989 0.723621 0.064689 O\n0.723621 0.317989 0.935311 O\n0.119411 0.429169 0.247944 O\n0.429169 0.119411 0.752056 O\n0.619411 0.929169 0.252056 O\n0.929169 0.619411 0.747944 O\n0.506434 0.007804 0.252090 O\n0.007804 0.506434 0.747910 O\n0.006434 0.507804 0.247910 O\n0.507804 0.006434 0.752090 O\n0.944650 0.179638 0.565307 O\n0.179638 0.944650 0.434693 O\n0.444650 0.679638 0.934693 O\n0.679638 0.444650 0.065307 O\n0.448479 0.122168 0.260089 O\n0.122168 0.448479 0.739911 O\n0.948479 0.622168 0.239911 O\n0.622168 0.948479 0.760089 O\n",
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"elements": [
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"volume": 737.7152359516341,
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"formula_full": "Ca4 Ti10 Bi8 O36",
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"spacegroup": 41
},
{
"id": "mp-760998",
"created_at": "2022-09-04T14:45:16.041011Z",
"structure_string": "Mn6 O10 F2\n1.0\n3.007065 0.000000 0.000000\n0.000000 4.547252 0.000000\n0.000000 0.512782 13.637123\nMn O F\n6 10 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.020524 0.339681 Mn\n0.000000 0.979476 0.660319 Mn\n0.500000 0.480465 0.159867 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.519535 0.840133 Mn\n0.500000 0.800063 0.600326 O\n0.500000 0.809619 0.936147 O\n0.000000 0.694685 0.102804 O\n0.000000 0.695718 0.768783 O\n0.000000 0.694070 0.434001 O\n0.000000 0.304282 0.231217 O\n0.000000 0.305930 0.565999 O\n0.000000 0.305315 0.897196 O\n0.500000 0.190381 0.063853 O\n0.500000 0.199937 0.399674 O\n0.500000 0.801582 0.267277 F\n0.500000 0.198418 0.732723 F\n",
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"elements": [
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],
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"formula_full": "Mn6 O10 F2",
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"spacegroup": 10
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{
"id": "mp-622048",
"created_at": "2022-09-04T14:41:06.785409Z",
"structure_string": "Cs3 Mo6 P10 O38\n1.0\n6.561800 0.000000 0.000000\n-2.671107 -9.318717 0.000000\n-0.299153 0.050424 -14.546956\nCs Mo P O\n3 6 10 38\ndirect\n0.000000 0.000000 0.000000 Cs\n0.041625 0.373448 0.283490 Cs\n0.958375 0.626552 0.716510 Cs\n0.734435 0.665939 0.388458 Mo\n0.716085 0.631909 0.135072 Mo\n0.619750 0.960059 0.750040 Mo\n0.380250 0.039941 0.249960 Mo\n0.265565 0.334061 0.611542 Mo\n0.283915 0.368091 0.864928 Mo\n0.714504 0.236562 0.588899 P\n0.491770 0.704500 0.575593 P\n0.285496 0.763438 0.411101 P\n0.843461 0.953393 0.251763 P\n0.510925 0.281110 0.060580 P\n0.156539 0.046607 0.748237 P\n0.508230 0.295500 0.424407 P\n0.260510 0.718160 0.112804 P\n0.739490 0.281840 0.887196 P\n0.489075 0.718890 0.939420 P\n0.652787 0.410476 0.110667 O\n0.337725 0.774256 0.010419 O\n0.637189 0.201549 0.481259 O\n0.258629 0.395804 0.736436 O\n0.584715 0.332983 0.627524 O\n0.975218 0.364185 0.897011 O\n0.070370 0.054678 0.242494 O\n0.388363 0.614248 0.143886 O\n0.300131 0.944319 0.749770 O\n0.174687 0.127186 0.655253 O\n0.054881 0.674308 0.412430 O\n0.668295 0.686463 0.997901 O\n0.578295 0.845771 0.877383 O\n0.415285 0.667017 0.372476 O\n0.024782 0.635815 0.102989 O\n0.662275 0.225744 0.989581 O\n0.655131 0.448747 0.424752 O\n0.324780 0.911155 0.368252 O\n0.421705 0.154229 0.122617 O\n0.293745 0.851224 0.170498 O\n0.741371 0.604196 0.263564 O\n0.344869 0.551253 0.575248 O\n0.675220 0.088845 0.631748 O\n0.535321 0.765309 0.672207 O\n0.701779 0.716020 0.525403 O\n0.211173 0.148127 0.832411 O\n0.347213 0.589524 0.889333 O\n0.298221 0.283980 0.474597 O\n0.464679 0.234691 0.327793 O\n0.825313 0.872814 0.344747 O\n0.699869 0.055681 0.250230 O\n0.788827 0.851873 0.167589 O\n0.706255 0.148776 0.829502 O\n0.929630 0.945322 0.757506 O\n0.331705 0.313537 0.002099 O\n0.945119 0.325692 0.587570 O\n0.611637 0.385752 0.856114 O\n0.362811 0.798451 0.518741 O\n",
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},
{
"id": "mp-1228191",
"created_at": "2022-09-04T14:46:28.062052Z",
"structure_string": "Ba3 Sr1 Si8 N8 O8\n1.0\n-0.001082 0.000724 4.853369\n5.526410 -0.046733 -0.001258\n-0.122153 14.478096 0.002168\nBa Sr Si N O\n3 1 8 8 8\ndirect\n0.705746 0.741611 0.474093 Ba\n0.206079 0.258251 0.526048 Ba\n0.208276 0.754811 0.973880 Ba\n0.710399 0.231458 0.029943 Sr\n0.752445 0.442071 0.704573 Si\n0.252455 0.561820 0.295360 Si\n0.252534 0.059948 0.200379 Si\n0.752446 0.948410 0.799458 Si\n0.253567 0.250086 0.802882 Si\n0.754787 0.744360 0.196198 Si\n0.754216 0.251355 0.298895 Si\n0.254374 0.747470 0.700463 Si\n0.104864 0.277175 0.274020 N\n0.603606 0.725024 0.728254 N\n0.602637 0.227736 0.775426 N\n0.105552 0.775864 0.222314 N\n0.106122 0.465557 0.728719 N\n0.606891 0.535294 0.272466 N\n0.608962 0.033402 0.221860 N\n0.105043 0.966919 0.773847 N\n0.706422 0.370206 0.595834 O\n0.204922 0.633986 0.403697 O\n0.205445 0.133769 0.093253 O\n0.707176 0.896317 0.908842 O\n0.201876 0.304436 0.912230 O\n0.705940 0.666925 0.088333 O\n0.701870 0.196892 0.407804 O\n0.205748 0.798847 0.590928 O\n",
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{
"id": "mp-1104584",
"created_at": "2022-09-04T14:45:01.728586Z",
"structure_string": "K1 Mn2 Mo2 O10\n1.0\n-4.530327 -3.137537 -2.318522\n-4.530327 3.137537 -2.318522\n-0.093385 0.000000 -8.522793\nK Mn Mo O\n1 2 2 10\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.068681 0.068681 0.737590 Mo\n0.931319 0.931319 0.262410 Mo\n0.694025 0.694025 0.927604 O\n0.305975 0.305975 0.072396 O\n0.196271 0.196271 0.513503 O\n0.803729 0.803729 0.486497 O\n0.814990 0.282847 0.217699 O\n0.717153 0.185010 0.782301 O\n0.185010 0.717153 0.782301 O\n0.282847 0.814990 0.217699 O\n0.170791 0.170791 0.867819 O\n0.829209 0.829209 0.132181 O\n",
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