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{
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{
"id": "mp-1208478",
"created_at": "2022-09-04T14:39:06.322223Z",
"structure_string": "Tb16 Mg4 Rh4\n1.0\n0.000000 6.883996 6.883996\n6.883996 0.000000 6.883996\n6.883996 6.883996 0.000000\nTb Mg Rh\n16 4 4\ndirect\n0.348062 0.348062 0.348062 Tb\n0.348062 0.348062 0.955814 Tb\n0.348062 0.955814 0.348062 Tb\n0.955814 0.348062 0.348062 Tb\n0.813059 0.186941 0.186941 Tb\n0.186941 0.813059 0.813059 Tb\n0.186941 0.813059 0.186941 Tb\n0.813059 0.186941 0.813059 Tb\n0.186941 0.186941 0.813059 Tb\n0.813059 0.813059 0.186941 Tb\n0.935346 0.564654 0.564654 Tb\n0.564654 0.935346 0.935346 Tb\n0.564654 0.935346 0.564654 Tb\n0.935346 0.564654 0.935346 Tb\n0.564654 0.564654 0.935346 Tb\n0.935346 0.935346 0.564654 Tb\n0.579578 0.579578 0.579578 Mg\n0.579578 0.579578 0.261267 Mg\n0.579578 0.261267 0.579578 Mg\n0.261267 0.579578 0.579578 Mg\n0.142398 0.142398 0.142398 Rh\n0.142398 0.142398 0.572805 Rh\n0.142398 0.572805 0.142398 Rh\n0.572805 0.142398 0.142398 Rh\n",
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},
{
"id": "mp-1215142",
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"structure_string": "Ag4 B4 H4 C48 N36 F72\n1.0\n8.558653 0.000000 0.000000\n0.000000 13.752196 0.000000\n0.000000 0.000000 18.983718\nAg B H C N F\n4 4 4 48 36 72\ndirect\n0.451131 0.137100 0.284748 Ag\n0.048869 0.862900 0.784748 Ag\n0.548869 0.637100 0.215252 Ag\n0.951131 0.362900 0.715252 Ag\n0.698216 0.462921 0.100167 B\n0.801784 0.537079 0.600167 B\n0.301784 0.962921 0.399833 B\n0.198216 0.037079 0.899833 B\n0.748515 0.405321 0.059050 H\n0.751485 0.594679 0.559050 H\n0.251485 0.905321 0.440950 H\n0.248515 0.094679 0.940950 H\n0.593738 0.232821 0.108273 C\n0.906262 0.767179 0.608273 C\n0.406262 0.732821 0.391727 C\n0.093738 0.267179 0.891727 C\n0.198488 0.277692 0.548840 C\n0.301512 0.722308 0.048840 C\n0.801512 0.777692 0.951160 C\n0.698488 0.222308 0.451160 C\n0.392490 0.396187 0.321363 C\n0.107510 0.603813 0.821363 C\n0.607510 0.896187 0.178637 C\n0.892490 0.103813 0.678637 C\n0.481184 0.378391 0.254032 C\n0.018816 0.621609 0.754032 C\n0.518816 0.878391 0.245968 C\n0.981184 0.121609 0.745968 C\n0.573600 0.309368 0.164828 C\n0.926400 0.690632 0.664828 C\n0.426400 0.809368 0.335172 C\n0.073600 0.190632 0.835172 C\n0.080810 0.433526 0.083207 C\n0.419190 0.566474 0.583207 C\n0.919190 0.933526 0.416793 C\n0.580810 0.066474 0.916793 C\n0.995604 0.506947 0.128247 C\n0.504396 0.493053 0.628247 C\n0.004396 0.006947 0.371753 C\n0.495604 0.993053 0.871753 C\n0.454364 0.033376 0.509991 C\n0.045636 0.966624 0.009991 C\n0.545636 0.533376 0.990009 C\n0.954364 0.466624 0.490009 C\n0.041232 0.122502 0.303164 C\n0.458768 0.877498 0.803164 C\n0.958768 0.622502 0.196836 C\n0.541232 0.377498 0.696836 C\n0.083356 0.358675 0.539491 C\n0.416644 0.641325 0.039491 C\n0.916644 0.858675 0.960509 C\n0.583356 0.141325 0.460509 C\n0.107963 0.033013 0.066868 C\n0.392037 0.966987 0.566868 C\n0.892037 0.533013 0.433132 C\n0.607963 0.466987 0.933132 C\n0.009163 0.206635 0.254805 C\n0.490837 0.793365 0.754805 C\n0.990837 0.706635 0.245195 C\n0.509163 0.293365 0.745195 C\n0.497464 0.289155 0.224560 N\n0.002536 0.710845 0.724560 N\n0.502536 0.789155 0.275440 N\n0.997464 0.210845 0.775440 N\n0.413669 0.032713 0.440389 N\n0.086331 0.967287 0.940389 N\n0.586331 0.532713 0.059611 N\n0.913669 0.467287 0.559611 N\n0.498933 0.103722 0.408374 N\n0.001067 0.896278 0.908374 N\n0.501067 0.603722 0.091626 N\n0.998933 0.396278 0.591626 N\n0.162221 0.019075 0.365621 N\n0.337779 0.980925 0.865621 N\n0.837779 0.519075 0.134379 N\n0.662221 0.480925 0.634379 N\n0.060571 0.399661 0.475807 N\n0.439429 0.600339 0.975808 N\n0.939429 0.899661 0.024192 N\n0.560571 0.100339 0.524192 N\n0.184898 0.094642 0.320451 N\n0.315102 0.905358 0.820451 N\n0.815102 0.594642 0.179549 N\n0.684898 0.405358 0.679549 N\n0.074463 0.570640 0.166652 N\n0.425537 0.429360 0.666652 N\n0.925537 0.070640 0.333348 N\n0.574463 0.929360 0.833348 N\n0.605023 0.405827 0.159106 N\n0.894977 0.594173 0.659106 N\n0.394977 0.905827 0.340894 N\n0.105023 0.094173 0.840894 N\n0.543880 0.450418 0.217058 N\n0.956120 0.549582 0.717058 N\n0.456120 0.950418 0.282942 N\n0.043880 0.049582 0.782942 N\n0.057802 0.126165 0.057687 F\n0.442198 0.873835 0.557687 F\n0.942198 0.626165 0.442313 F\n0.557802 0.373835 0.942313 F\n0.234720 0.432913 0.101104 F\n0.265280 0.567087 0.601104 F\n0.765280 0.932913 0.398896 F\n0.734720 0.067087 0.898896 F\n0.483950 0.246355 0.057190 F\n0.016050 0.753645 0.557191 F\n0.516050 0.746355 0.442810 F\n0.983950 0.253645 0.942809 F\n0.071885 0.456295 0.013548 F\n0.428115 0.543705 0.513548 F\n0.928115 0.956295 0.486452 F\n0.571885 0.043705 0.986452 F\n0.332957 0.311816 0.347300 F\n0.167043 0.688184 0.847300 F\n0.667043 0.811816 0.152700 F\n0.832957 0.188184 0.652700 F\n0.023533 0.789613 0.208711 F\n0.476467 0.210387 0.708711 F\n0.976467 0.289613 0.291289 F\n0.523533 0.710387 0.791289 F\n0.570293 0.143282 0.136369 F\n0.929707 0.856718 0.636369 F\n0.429707 0.643282 0.363631 F\n0.070293 0.356718 0.863631 F\n0.115831 0.688064 0.287314 F\n0.384169 0.311936 0.787314 F\n0.884169 0.188064 0.212686 F\n0.615831 0.811936 0.712686 F\n0.485537 0.435529 0.371575 F\n0.014463 0.564471 0.871575 F\n0.514463 0.935529 0.128425 F\n0.985537 0.064471 0.628425 F\n0.194567 0.242432 0.615628 F\n0.305433 0.757568 0.115628 F\n0.805433 0.742432 0.884372 F\n0.694567 0.257568 0.384372 F\n0.346422 0.308631 0.534808 F\n0.153578 0.691369 0.034808 F\n0.653578 0.808631 0.965192 F\n0.846422 0.191369 0.465192 F\n0.169042 0.202647 0.503792 F\n0.330958 0.797353 0.003792 F\n0.830958 0.702647 0.996208 F\n0.669042 0.297353 0.496208 F\n0.134773 0.224971 0.213003 F\n0.365227 0.775029 0.713003 F\n0.865227 0.724971 0.286997 F\n0.634773 0.275029 0.786997 F\n0.735850 0.233296 0.077326 F\n0.764150 0.766704 0.577326 F\n0.264150 0.733296 0.422674 F\n0.235850 0.266704 0.922674 F\n0.266875 0.034458 0.068123 F\n0.233125 0.965542 0.568123 F\n0.733125 0.534458 0.431877 F\n0.766875 0.465542 0.931877 F\n0.057974 0.002694 0.130861 F\n0.442026 0.997306 0.630861 F\n0.942026 0.502694 0.369139 F\n0.557974 0.497306 0.869139 F\n0.272049 0.458164 0.309171 F\n0.227951 0.541836 0.809171 F\n0.727951 0.958164 0.190829 F\n0.772049 0.041836 0.690829 F\n0.025585 0.341811 0.091787 F\n0.474415 0.658189 0.591787 F\n0.974415 0.841811 0.408213 F\n0.525585 0.158189 0.908213 F\n",
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"formula_full": "Ag4 B4 H4 C48 N36 F72",
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"energy": -1126.3738404300002,
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"updated_at": "2021-11-28T01:34:26.152000Z",
"spacegroup": 19
},
{
"id": "mp-14973",
"created_at": "2022-09-04T14:39:06.314963Z",
"structure_string": "Ag4 Mo8 P12 O52\n1.0\n6.494780 0.014915 0.000000\n-1.246024 7.134476 0.000000\n0.000000 0.000000 22.736987\nAg Mo P O\n4 8 12 52\ndirect\n0.332252 0.293604 0.131750 Ag\n0.167747 0.206396 0.631750 Ag\n0.667748 0.706398 0.868250 Ag\n0.832252 0.793603 0.368250 Ag\n0.722032 0.274082 0.436574 Mo\n0.722379 0.464214 0.707785 Mo\n0.222379 0.964214 0.792215 Mo\n0.277621 0.535786 0.292215 Mo\n0.222033 0.774082 0.063425 Mo\n0.277967 0.725918 0.563426 Mo\n0.777968 0.225919 0.936575 Mo\n0.777620 0.035786 0.207785 Mo\n0.280879 0.298937 0.901900 P\n0.219121 0.201063 0.401899 P\n0.719120 0.701063 0.098100 P\n0.780880 0.798938 0.598101 P\n0.124368 0.652110 0.916474 P\n0.375632 0.847892 0.416474 P\n0.875632 0.347892 0.083526 P\n0.624369 0.152109 0.583526 P\n0.264229 0.908954 0.203647 P\n0.764228 0.408954 0.296353 P\n0.735772 0.091047 0.796353 P\n0.235773 0.591047 0.703647 P\n0.276970 0.517613 0.887663 O\n0.223031 0.982387 0.387664 O\n0.723030 0.482387 0.112337 O\n0.776969 0.017612 0.612336 O\n0.097339 0.462560 0.079891 O\n0.402660 0.037440 0.579890 O\n0.902661 0.537440 0.920110 O\n0.597340 0.962560 0.420110 O\n0.904106 0.770623 0.057461 O\n0.595893 0.729376 0.557461 O\n0.095894 0.229376 0.942539 O\n0.404107 0.270623 0.442539 O\n0.513766 0.701120 0.065420 O\n0.986233 0.798880 0.565420 O\n0.486234 0.298879 0.934580 O\n0.013767 0.201121 0.434580 O\n0.213018 0.766067 0.153051 O\n0.286982 0.733933 0.653051 O\n0.290344 0.012769 0.059774 O\n0.713019 0.266068 0.346949 O\n0.221366 0.706374 0.976628 O\n0.278636 0.793627 0.476628 O\n0.778635 0.293627 0.023372 O\n0.721365 0.206374 0.523372 O\n0.744452 0.935403 0.276001 O\n0.755548 0.564598 0.776001 O\n0.255549 0.064598 0.723999 O\n0.244452 0.435402 0.223999 O\n0.468865 0.051923 0.190043 O\n0.031135 0.448079 0.690043 O\n0.531136 0.948078 0.809957 O\n0.968866 0.551923 0.309957 O\n0.095283 0.033983 0.209123 O\n0.404718 0.466017 0.709123 O\n0.904718 0.966017 0.790877 O\n0.595282 0.533983 0.290877 O\n0.731056 0.794293 0.158205 O\n0.768945 0.705706 0.658205 O\n0.268945 0.205706 0.841795 O\n0.231055 0.294294 0.341795 O\n0.795628 0.304549 0.239215 O\n0.704373 0.195451 0.739215 O\n0.204373 0.695451 0.760785 O\n0.295627 0.804549 0.260785 O\n0.854372 0.181255 0.124733 O\n0.645628 0.318746 0.624733 O\n0.145627 0.818745 0.875267 O\n0.354373 0.681255 0.375267 O\n0.790344 0.512768 0.440225 O\n0.709656 0.987232 0.940226 O\n0.209657 0.487231 0.559775 O\n0.786982 0.233933 0.846949 O\n",
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{
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"structure_string": "Sb8 Br2 O12\n1.0\n2.069363 9.582824 0.000000\n-2.069363 9.582824 0.000000\n0.000000 3.594375 10.253383\nSb Br O\n8 2 12\ndirect\n0.266948 0.266948 0.823826 Sb\n0.733052 0.733052 0.176174 Sb\n0.497057 0.497057 0.716613 Sb\n0.502943 0.502943 0.283387 Sb\n0.079272 0.079272 0.023679 Sb\n0.920728 0.920728 0.976321 Sb\n0.309978 0.309978 0.345754 Sb\n0.690022 0.690022 0.654246 Sb\n0.108550 0.108550 0.484315 Br\n0.891450 0.891450 0.515685 Br\n0.265634 0.265634 0.198669 O\n0.734366 0.734366 0.801331 O\n0.032186 0.032186 0.219674 O\n0.967814 0.967814 0.780326 O\n0.430021 0.430021 0.914868 O\n0.569979 0.569979 0.085132 O\n0.203360 0.203360 0.702960 O\n0.796640 0.796640 0.297040 O\n0.186257 0.186257 0.000072 O\n0.813743 0.813743 0.999928 O\n0.414800 0.414800 0.223269 O\n0.585200 0.585200 0.776731 O\n",
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"formula_full": "Sb8 Br2 O12",
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{
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"structure_string": "Na2 Zr1 N2\n1.0\n1.678643 -2.907495 0.000000\n1.678643 2.907495 0.000000\n0.000000 0.000000 8.885520\nNa Zr N\n2 1 2\ndirect\n0.666667 0.333333 0.293268 Na\n0.333333 0.666667 0.706732 Na\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.868626 N\n0.333333 0.666667 0.131374 N\n",
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{
"id": "mp-1096750",
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"structure_string": "Zr1 In1 Ru2\n1.0\n-4.939129 5.579915 7.581532\n4.939129 -5.579915 7.581532\n4.939129 5.579915 -7.581532\nZr In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.227659 0.227659 Ru\n0.000000 0.772341 0.772341 Ru\n",
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{
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