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{
"id": "mp-1518904",
"created_at": "2022-09-04T14:45:00.122824Z",
"structure_string": "Na1 Ca1 Sm1 W1 O6\n1.0\n-0.000000 -4.210240 -4.210240\n4.210240 -0.000000 -4.210240\n4.210240 -4.210240 -0.000000\nNa Ca Sm W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 -0.000000 Sm\n0.500000 0.500000 0.500000 W\n0.730813 0.269187 0.269187 O\n0.269187 0.730813 0.730813 O\n0.730813 0.269187 0.730813 O\n0.269187 0.730813 0.269187 O\n0.730813 0.730813 0.269187 O\n0.269187 0.269187 0.730813 O\n",
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{
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"structure_string": "Sr14 Mn8 O30\n1.0\n9.783564 0.000000 0.000000\n0.000000 6.891875 0.000000\n0.000000 0.314593 10.567299\nSr Mn O\n14 8 30\ndirect\n0.504069 0.819781 0.332022 Sr\n0.004069 0.180219 0.167978 Sr\n0.495931 0.180219 0.667978 Sr\n0.995931 0.819781 0.832022 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.649341 0.648503 0.695325 Sr\n0.149341 0.351497 0.804675 Sr\n0.350659 0.351497 0.304675 Sr\n0.850659 0.648503 0.195325 Sr\n0.685772 0.001356 0.964637 Sr\n0.185772 0.998644 0.535363 Sr\n0.314228 0.998644 0.035363 Sr\n0.814228 0.001356 0.464637 Sr\n0.668815 0.219718 0.219573 Mn\n0.168815 0.780282 0.280427 Mn\n0.331185 0.780282 0.780427 Mn\n0.831185 0.219718 0.719573 Mn\n0.667289 0.423348 0.425672 Mn\n0.167289 0.576652 0.074328 Mn\n0.332711 0.576652 0.574328 Mn\n0.832711 0.423348 0.925672 Mn\n0.746211 0.971712 0.210481 O\n0.246211 0.028288 0.289519 O\n0.253789 0.028288 0.789519 O\n0.753789 0.971712 0.710481 O\n0.518699 0.161988 0.120010 O\n0.018699 0.838012 0.379990 O\n0.481301 0.838012 0.879990 O\n0.981301 0.161988 0.620010 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.718853 0.313218 0.584523 O\n0.218853 0.686782 0.915477 O\n0.281147 0.686782 0.415477 O\n0.781147 0.313218 0.084523 O\n0.582597 0.160786 0.382203 O\n0.082597 0.839214 0.117797 O\n0.417403 0.839214 0.617797 O\n0.917403 0.160786 0.882203 O\n0.746360 0.663145 0.453978 O\n0.246360 0.336855 0.046022 O\n0.253640 0.336855 0.546022 O\n0.753640 0.663145 0.953978 O\n0.898457 0.492595 0.753222 O\n0.398457 0.507405 0.746778 O\n0.101543 0.507405 0.246778 O\n0.601543 0.492595 0.253222 O\n0.825634 0.320768 0.338292 O\n0.325634 0.679232 0.161708 O\n0.174366 0.679232 0.661708 O\n0.674366 0.320768 0.838292 O\n",
"nsites": 52,
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"elements": [
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],
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"formula_full": "Sr14 Mn8 O30",
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"spacegroup": 14
},
{
"id": "mp-582378",
"created_at": "2022-09-04T14:45:00.174064Z",
"structure_string": "Gd4 Mo2 Se6 O24\n1.0\n6.661753 0.000000 0.000000\n0.450568 7.204988 0.000000\n3.206326 0.724341 10.495913\nGd Mo Se O\n4 2 6 24\ndirect\n0.768063 0.861085 0.990461 Gd\n0.293999 0.320501 0.332977 Gd\n0.231937 0.138915 0.009539 Gd\n0.706001 0.679499 0.667023 Gd\n0.777989 0.608858 0.292263 Mo\n0.222011 0.391142 0.707737 Mo\n0.298930 0.840706 0.283831 Se\n0.710480 0.360372 0.007534 Se\n0.839801 0.140925 0.358541 Se\n0.701070 0.159294 0.716169 Se\n0.160199 0.859075 0.641459 Se\n0.289520 0.639628 0.992466 Se\n0.219397 0.461364 0.916170 O\n0.677180 0.332191 0.320829 O\n0.399822 0.003123 0.350338 O\n0.717259 0.669366 0.452368 O\n0.322820 0.667809 0.679171 O\n0.047339 0.527704 0.264695 O\n0.780603 0.538636 0.083830 O\n0.458343 0.310577 0.107308 O\n0.054900 0.767910 0.537246 O\n0.282741 0.330634 0.547632 O\n0.806112 0.827480 0.200703 O\n0.857107 0.163499 0.040599 O\n0.071661 0.152299 0.231793 O\n0.557090 0.370113 0.695312 O\n0.945100 0.232090 0.462754 O\n0.142893 0.836501 0.959401 O\n0.541657 0.689423 0.892692 O\n0.442910 0.629887 0.304688 O\n0.583347 0.102492 0.881369 O\n0.416653 0.897508 0.118631 O\n0.600178 0.996877 0.649662 O\n0.952661 0.472296 0.735305 O\n0.193888 0.172520 0.799297 O\n0.928339 0.847701 0.768207 O\n",
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],
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"density_atomic": 0.07145958513849691,
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"formula_full": "Gd4 Mo2 Se6 O24",
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"spacegroup": 2
},
{
"id": "mp-530984",
"created_at": "2022-09-04T14:45:06.208255Z",
"structure_string": "Al44 Pb2 O68\n1.0\n11.306846 0.000000 0.000000\n0.000000 9.781944 0.000000\n0.000000 3.219286 11.448250\nAl Pb O\n44 2 68\ndirect\n0.000000 0.000000 0.000000 Al\n0.124440 0.343662 0.215588 Al\n0.000042 0.096491 0.216025 Al\n0.000676 0.350151 0.951056 Al\n0.001203 0.450136 0.649341 Al\n0.998797 0.549864 0.350659 Al\n0.376192 0.848031 0.205430 Al\n0.123808 0.848031 0.205430 Al\n0.250000 0.596782 0.209470 Al\n0.999324 0.649849 0.048944 Al\n0.250000 0.851312 0.947217 Al\n0.250000 0.499801 0.001269 Al\n0.999958 0.903509 0.783975 Al\n0.123450 0.654067 0.789222 Al\n0.250000 0.945551 0.647840 Al\n0.250000 0.050175 0.352152 Al\n0.375560 0.343662 0.215588 Al\n0.623450 0.345933 0.210778 Al\n0.499958 0.096491 0.216025 Al\n0.250000 0.151392 0.048403 Al\n0.499324 0.350151 0.951056 Al\n0.500000 0.000000 0.000000 Al\n0.250000 0.401266 0.788433 Al\n0.373140 0.153888 0.782962 Al\n0.126860 0.153888 0.782962 Al\n0.498797 0.450136 0.649341 Al\n0.501203 0.549864 0.350659 Al\n0.873140 0.846112 0.217038 Al\n0.626860 0.846112 0.217038 Al\n0.750000 0.598734 0.211567 Al\n0.500676 0.649849 0.048944 Al\n0.750000 0.848608 0.951597 Al\n0.750000 0.500199 0.998731 Al\n0.500042 0.903509 0.783975 Al\n0.376550 0.654067 0.789222 Al\n0.624440 0.656338 0.784412 Al\n0.750000 0.949825 0.647848 Al\n0.750000 0.054449 0.352160 Al\n0.876550 0.345933 0.210778 Al\n0.750000 0.148688 0.052783 Al\n0.750000 0.403218 0.790530 Al\n0.623808 0.151969 0.794570 Al\n0.876192 0.151969 0.794570 Al\n0.875560 0.656338 0.784412 Al\n0.250000 0.702469 0.469500 Pb\n0.750000 0.297531 0.530500 Pb\n0.997990 0.094210 0.718571 O\n0.132782 0.454921 0.902102 O\n0.997623 0.190407 0.901707 O\n0.250000 0.593584 0.717151 O\n0.125116 0.345051 0.713249 O\n0.000000 0.500000 0.500000 O\n0.129385 0.656860 0.294326 O\n0.999526 0.404853 0.286979 O\n0.250000 0.796514 0.109169 O\n0.002377 0.809593 0.098293 O\n0.132484 0.548073 0.099806 O\n0.382484 0.955886 0.900045 O\n0.117516 0.955886 0.900045 O\n0.250000 0.688781 0.901500 O\n0.998634 0.703605 0.889377 O\n0.502010 0.094210 0.718571 O\n0.250000 0.096133 0.706243 O\n0.124418 0.843390 0.712778 O\n0.375582 0.843390 0.712778 O\n0.250000 0.954563 0.498723 O\n0.374726 0.153546 0.290323 O\n0.125274 0.153546 0.290323 O\n0.250000 0.898144 0.289270 O\n0.498634 0.296395 0.110623 O\n0.250000 0.310487 0.099091 O\n0.380994 0.044824 0.098595 O\n0.119006 0.044824 0.098595 O\n0.632484 0.451927 0.900194 O\n0.367218 0.454921 0.902102 O\n0.502377 0.190407 0.901707 O\n0.250000 0.202552 0.888430 O\n0.750000 0.591971 0.718370 O\n0.499526 0.595147 0.713021 O\n0.629385 0.343140 0.705674 O\n0.374884 0.345051 0.713249 O\n0.500000 0.500000 0.500000 O\n0.370615 0.656860 0.294326 O\n0.625116 0.654949 0.286751 O\n0.500474 0.404853 0.286979 O\n0.250000 0.408029 0.281630 O\n0.750000 0.797448 0.111570 O\n0.497623 0.809593 0.098293 O\n0.367516 0.548073 0.099806 O\n0.632782 0.545079 0.097898 O\n0.880994 0.955176 0.901405 O\n0.619006 0.955176 0.901405 O\n0.750000 0.689513 0.900909 O\n0.501366 0.703605 0.889377 O\n0.750000 0.101856 0.710730 O\n0.625274 0.846454 0.709677 O\n0.874726 0.846454 0.709677 O\n0.750000 0.045437 0.501277 O\n0.624418 0.156610 0.287222 O\n0.875582 0.156610 0.287222 O\n0.750000 0.903867 0.293757 O\n0.497990 0.905790 0.281429 O\n0.001366 0.296395 0.110623 O\n0.750000 0.311219 0.098500 O\n0.617516 0.044114 0.099955 O\n0.882484 0.044114 0.099955 O\n0.867516 0.451927 0.900194 O\n0.750000 0.203486 0.890831 O\n0.000474 0.595147 0.713021 O\n0.870615 0.343140 0.705674 O\n0.874884 0.654949 0.286751 O\n0.750000 0.406416 0.282849 O\n0.867218 0.545079 0.097898 O\n0.002010 0.905790 0.281429 O\n",
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{
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"structure_string": "Ba5 Y8 Mn4 O21\n1.0\n-7.022749 7.022749 2.906949\n7.022749 -7.022749 2.906949\n7.022749 7.022749 -2.906949\nBa Y Mn O\n5 8 4 21\ndirect\n0.000000 0.000000 0.000000 Ba\n0.139232 0.533713 0.672945 Ba\n0.860768 0.466287 0.327055 Ba\n0.466287 0.139232 0.605519 Ba\n0.533713 0.860768 0.394481 Ba\n0.169849 0.248746 0.418595 Y\n0.830151 0.751254 0.581405 Y\n0.751254 0.169849 0.921102 Y\n0.248746 0.830151 0.078898 Y\n0.359300 0.410326 0.769626 Y\n0.640700 0.589674 0.230374 Y\n0.589674 0.359300 0.948974 Y\n0.410326 0.640700 0.051026 Y\n0.248131 0.040261 0.288393 Mn\n0.751869 0.959739 0.711607 Mn\n0.959739 0.248131 0.207870 Mn\n0.040261 0.751869 0.792130 Mn\n0.500000 0.500000 0.000000 O\n0.961585 0.627280 0.588865 O\n0.038415 0.372720 0.411135 O\n0.372720 0.961585 0.334306 O\n0.627280 0.038415 0.665694 O\n0.299086 0.428437 0.225361 O\n0.203076 0.073724 0.774639 O\n0.073724 0.299086 0.870649 O\n0.428437 0.203076 0.129351 O\n0.700914 0.571563 0.774639 O\n0.796924 0.926276 0.225361 O\n0.926276 0.700914 0.129351 O\n0.571563 0.796924 0.870649 O\n0.493003 0.599635 0.594364 O\n0.005271 0.898639 0.405636 O\n0.898639 0.493003 0.893368 O\n0.599635 0.005271 0.106632 O\n0.506997 0.400365 0.405636 O\n0.994729 0.101361 0.594364 O\n0.101361 0.506997 0.106632 O\n0.400365 0.994729 0.893368 O\n",
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"formula_full": "Ba5 Y8 Mn4 O21",
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{
"id": "mp-1182786",
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"structure_string": "Cs2 Li4 H6 O6\n1.0\n6.497547 0.000000 -2.089199\n0.000000 5.273598 0.000000\n-0.068438 0.000000 6.783684\nCs Li H O\n2 4 6 6\ndirect\n0.146423 0.250000 0.267237 Cs\n0.853577 0.750000 0.732763 Cs\n0.646375 0.502435 0.172401 Li\n0.353625 0.002435 0.827599 Li\n0.353625 0.497565 0.827599 Li\n0.646375 0.997565 0.172401 Li\n0.695708 0.250000 0.874633 H\n0.304292 0.750000 0.125367 H\n0.029872 0.250000 0.670574 H\n0.970128 0.750000 0.329426 H\n0.629437 0.250000 0.503430 H\n0.370563 0.750000 0.496570 H\n0.584942 0.250000 0.935085 O\n0.415058 0.750000 0.064915 O\n0.131386 0.250000 0.808639 O\n0.868614 0.750000 0.191361 O\n0.684148 0.250000 0.388390 O\n0.315852 0.750000 0.611610 O\n",
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"formula_full": "Cs2 Li4 H6 O6",
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{
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