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{
"id": "mp-1236902",
"created_at": "2022-09-04T14:47:15.216808Z",
"structure_string": "H8 I6 N2 O18\n1.0\n-0.151250 0.011110 -8.259846\n7.624066 -0.268225 -3.924878\n-1.130544 -7.396508 -3.488240\nH I N O\n8 6 2 18\ndirect\n0.627589 0.227480 0.791450 H\n0.372411 0.772520 0.208550 H\n0.354041 0.119584 0.662379 H\n0.645959 0.880416 0.337621 H\n0.417013 0.415443 0.815976 H\n0.582987 0.584557 0.184024 H\n0.615545 0.323553 0.597075 H\n0.384455 0.676447 0.402925 H\n0.557834 0.175061 0.236436 I\n0.442166 0.824939 0.763564 I\n0.006694 0.740649 0.711167 I\n0.993306 0.259351 0.288833 I\n0.077572 0.704443 0.206215 I\n0.922428 0.295557 0.793785 I\n0.570372 0.346039 0.739114 N\n0.429628 0.653961 0.260886 N\n0.402490 0.200614 0.473205 O\n0.597510 0.799386 0.526795 O\n0.398813 0.185534 0.134119 O\n0.601187 0.814466 0.865881 O\n0.960283 0.829397 0.516380 O\n0.039717 0.170603 0.483620 O\n0.051050 0.514844 0.681973 O\n0.948950 0.485156 0.318027 O\n0.345755 0.548701 0.238601 O\n0.654245 0.451299 0.761399 O\n0.712825 0.914067 0.213117 O\n0.287175 0.085933 0.786883 O\n0.179782 0.597896 0.982571 O\n0.820218 0.402104 0.017429 O\n0.266958 0.709792 0.623125 O\n0.733042 0.290208 0.376875 O\n0.154839 0.880306 0.139324 O\n0.845161 0.119694 0.860676 O\n",
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{
"id": "mp-1099665",
"created_at": "2022-09-04T14:47:15.391283Z",
"structure_string": "Sr16 Ca16 Fe8 Co24 O80\n1.0\n-0.013638 -0.005172 10.787133\n11.237521 -0.001924 -0.014183\n-5.614441 15.635666 -5.393327\nSr Ca Fe Co O\n16 16 8 24 80\ndirect\n0.303999 0.565973 0.609251 Sr\n0.806617 0.062190 0.608888 Sr\n0.809732 0.560078 0.610428 Sr\n0.192884 0.438961 0.382358 Sr\n0.202186 0.437762 0.895715 Sr\n0.693802 0.431396 0.383554 Sr\n0.695601 0.931988 0.382200 Sr\n0.699304 0.941896 0.893604 Sr\n0.054164 0.293968 0.609983 Sr\n0.061951 0.797540 0.609406 Sr\n0.558578 0.296571 0.610767 Sr\n0.554529 0.798752 0.610311 Sr\n0.444332 0.202194 0.383456 Sr\n0.452848 0.205745 0.893166 Sr\n0.940964 0.199051 0.384489 Sr\n0.945510 0.202120 0.894203 Sr\n0.301277 0.067711 0.107225 Ca\n0.303524 0.065401 0.607247 Ca\n0.309335 0.565541 0.111336 Ca\n0.804986 0.069837 0.109016 Ca\n0.803482 0.566582 0.111072 Ca\n0.192884 0.928852 0.387881 Ca\n0.196014 0.932118 0.897136 Ca\n0.696380 0.433198 0.898035 Ca\n0.054757 0.289115 0.108402 Ca\n0.056350 0.792498 0.109859 Ca\n0.551891 0.296004 0.107525 Ca\n0.552502 0.788892 0.107608 Ca\n0.440047 0.702430 0.385825 Ca\n0.443010 0.712848 0.895691 Ca\n0.951609 0.705421 0.387519 Ca\n0.950196 0.715654 0.897408 Ca\n0.115103 0.090855 0.756746 Fe\n0.109227 0.596140 0.754427 Fe\n0.609715 0.593487 0.755999 Fe\n0.360561 0.411331 0.752472 Fe\n0.352234 0.904253 0.246435 Fe\n0.358944 0.910868 0.754844 Fe\n0.857818 0.415354 0.759148 Fe\n0.861437 0.907467 0.751627 Fe\n0.009206 0.001924 0.006344 Co\n0.003940 0.997338 0.496049 Co\n0.005660 0.499950 0.004595 Co\n0.001477 0.498702 0.495936 Co\n0.508941 0.004140 0.006134 Co\n0.499242 0.994547 0.492391 Co\n0.508389 0.503099 0.004037 Co\n0.504972 0.501599 0.501051 Co\n0.256745 0.251258 0.004138 Co\n0.251965 0.247684 0.496940 Co\n0.259665 0.752420 0.007217 Co\n0.254716 0.750751 0.497561 Co\n0.761105 0.258299 0.013645 Co\n0.751731 0.247362 0.498443 Co\n0.758376 0.751303 0.002592 Co\n0.753036 0.745477 0.495328 Co\n0.106561 0.089372 0.247002 Co\n0.105588 0.595417 0.243347 Co\n0.604785 0.087672 0.241750 Co\n0.605222 0.098134 0.748501 Co\n0.608369 0.593287 0.246993 Co\n0.353410 0.406819 0.242199 Co\n0.856402 0.409615 0.246589 Co\n0.859372 0.899580 0.243245 Co\n0.119093 0.111102 0.489349 O\n0.128640 0.119858 0.994510 O\n0.118865 0.624284 0.484088 O\n0.131057 0.632482 0.992297 O\n0.617031 0.113848 0.490501 O\n0.629755 0.132847 0.998187 O\n0.615259 0.612050 0.487341 O\n0.631495 0.629560 0.991087 O\n0.132634 0.388441 0.017070 O\n0.135909 0.368644 0.503864 O\n0.137197 0.883322 0.018816 O\n0.140007 0.878708 0.504718 O\n0.640735 0.387915 0.017839 O\n0.631825 0.370498 0.504346 O\n0.631545 0.888259 0.016919 O\n0.634968 0.864268 0.501417 O\n0.362935 0.123016 0.487400 O\n0.378429 0.110144 0.994701 O\n0.370762 0.624352 0.484674 O\n0.381486 0.621821 0.992093 O\n0.869114 0.120665 0.490850 O\n0.877716 0.119747 0.998200 O\n0.869497 0.625887 0.488397 O\n0.882302 0.611940 0.990629 O\n0.388034 0.385103 0.018244 O\n0.385013 0.387069 0.503618 O\n0.381804 0.877004 0.016474 O\n0.384041 0.885660 0.504022 O\n0.883094 0.382006 0.016966 O\n0.880410 0.377229 0.505430 O\n0.885071 0.877286 0.015585 O\n0.890235 0.882386 0.503053 O\n0.095369 0.105015 0.145582 O\n0.096298 0.092490 0.645798 O\n0.086863 0.603819 0.137619 O\n0.080025 0.594375 0.642218 O\n0.586876 0.107619 0.140108 O\n0.578892 0.089442 0.639026 O\n0.589872 0.606951 0.143136 O\n0.581517 0.591027 0.642251 O\n0.432415 0.400086 0.347708 O\n0.449401 0.402549 0.860937 O\n0.440545 0.898048 0.357186 O\n0.448750 0.902267 0.864674 O\n0.932045 0.404945 0.353426 O\n0.948185 0.402633 0.865843 O\n0.941542 0.898792 0.352527 O\n0.951781 0.897749 0.860615 O\n0.332045 0.290802 0.136683 O\n0.333744 0.292682 0.641275 O\n0.339787 0.780265 0.141372 O\n0.332777 0.795903 0.644975 O\n0.846454 0.290083 0.145245 O\n0.832105 0.300351 0.648207 O\n0.842937 0.783324 0.139037 O\n0.831312 0.795501 0.639091 O\n0.184485 0.200649 0.354739 O\n0.195069 0.206033 0.868384 O\n0.192446 0.706103 0.348860 O\n0.204497 0.714728 0.861390 O\n0.681776 0.192490 0.350572 O\n0.683655 0.210616 0.853985 O\n0.697162 0.696925 0.355813 O\n0.707675 0.711544 0.862892 O\n0.422234 0.055922 0.238648 O\n0.422447 0.065087 0.745687 O\n0.427306 0.568916 0.247579 O\n0.431308 0.574804 0.758770 O\n0.924153 0.057063 0.239234 O\n0.935180 0.064741 0.751882 O\n0.926711 0.570037 0.247309 O\n0.932986 0.574501 0.761883 O\n0.172780 0.434391 0.237760 O\n0.182408 0.438113 0.753033 O\n0.173625 0.927376 0.248051 O\n0.182556 0.933907 0.761607 O\n0.673087 0.430574 0.238743 O\n0.678371 0.436521 0.761136 O\n0.677764 0.928526 0.237619 O\n0.685663 0.942521 0.752906 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.543009977832121,
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"volume": 1894.9317745745586,
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"formula_full": "Sr16 Ca16 Fe8 Co24 O80",
"formula_reduced": "Sr2Ca2FeCo3O10",
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"energy": -1009.71337088,
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{
"id": "mp-16672",
"created_at": "2022-09-04T14:47:15.396715Z",
"structure_string": "Nd4 Mo20 O32\n1.0\n9.206307 0.000000 0.000000\n0.000000 8.304040 0.000000\n0.000000 3.777382 9.748303\nNd Mo O\n4 20 32\ndirect\n0.020588 0.724783 0.016394 Nd\n0.520588 0.275217 0.483606 Nd\n0.979412 0.275217 0.983606 Nd\n0.479412 0.724783 0.516394 Nd\n0.377129 0.993288 0.075273 Mo\n0.877129 0.006712 0.424727 Mo\n0.622871 0.006712 0.924727 Mo\n0.122871 0.993288 0.575273 Mo\n0.355078 0.209397 0.783825 Mo\n0.855078 0.790603 0.716175 Mo\n0.644922 0.790603 0.216175 Mo\n0.144922 0.209397 0.283825 Mo\n0.373494 0.807828 0.866340 Mo\n0.873494 0.192172 0.633660 Mo\n0.626506 0.192172 0.133660 Mo\n0.126506 0.807828 0.366340 Mo\n0.377258 0.600985 0.185175 Mo\n0.877258 0.399015 0.314825 Mo\n0.622742 0.399015 0.814825 Mo\n0.122742 0.600985 0.685175 Mo\n0.362209 0.385098 0.982184 Mo\n0.862209 0.614902 0.517816 Mo\n0.637791 0.614902 0.017816 Mo\n0.137791 0.385098 0.482184 Mo\n0.499542 0.594513 0.856542 O\n0.999542 0.405487 0.643458 O\n0.500458 0.405487 0.143458 O\n0.000458 0.594513 0.356542 O\n0.291391 0.378893 0.334475 O\n0.791391 0.621107 0.165525 O\n0.708609 0.621107 0.665525 O\n0.208609 0.378893 0.834475 O\n0.272804 0.793872 0.688837 O\n0.772804 0.206128 0.811163 O\n0.727196 0.206128 0.311163 O\n0.227196 0.793872 0.188837 O\n0.266634 0.185072 0.604829 O\n0.766634 0.814928 0.895171 O\n0.733366 0.814928 0.395171 O\n0.233366 0.185072 0.104829 O\n0.246597 0.600829 0.509912 O\n0.746597 0.399171 0.990088 O\n0.753403 0.399171 0.490088 O\n0.253403 0.600829 0.009912 O\n0.502633 0.031774 0.747014 O\n0.002633 0.968226 0.752986 O\n0.497367 0.968226 0.252986 O\n0.997367 0.031774 0.247014 O\n0.988508 0.592349 0.853309 O\n0.488508 0.407651 0.646691 O\n0.011492 0.407651 0.146691 O\n0.511492 0.592349 0.353309 O\n0.238552 0.989183 0.916139 O\n0.738552 0.010817 0.583861 O\n0.761448 0.010817 0.083861 O\n0.261448 0.989183 0.416139 O\n",
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{
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{
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{
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{
"id": "mp-1061865",
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"structure_string": "Te1 N2\n1.0\n0.000000 2.639461 2.639461\n2.639461 0.000000 2.639461\n2.639461 2.639461 0.000000\nTe N\n1 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
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