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{
"id": "mp-1076428",
"created_at": "2022-09-04T14:48:08.860668Z",
"structure_string": "Sr20 Ca12 Fe16 Co16 O80\n1.0\n-0.008749 -0.008061 10.797821\n11.247176 0.006548 -0.008561\n-5.610154 15.828867 -5.405059\nSr Ca Fe Co O\n20 12 16 16 80\ndirect\n0.305926 0.061148 0.609036 Sr\n0.310001 0.562025 0.609272 Sr\n0.808011 0.068428 0.610018 Sr\n0.808856 0.562537 0.610144 Sr\n0.199117 0.434423 0.386328 Sr\n0.198149 0.440028 0.894118 Sr\n0.697426 0.435941 0.388297 Sr\n0.694784 0.937817 0.386485 Sr\n0.700747 0.935796 0.894082 Sr\n0.055843 0.295992 0.610686 Sr\n0.058344 0.797321 0.610353 Sr\n0.559612 0.298998 0.610631 Sr\n0.558193 0.792839 0.610255 Sr\n0.448754 0.203636 0.387101 Sr\n0.451247 0.208021 0.893154 Sr\n0.445788 0.699790 0.386061 Sr\n0.446772 0.706686 0.894078 Sr\n0.942269 0.202597 0.386766 Sr\n0.951147 0.205459 0.893648 Sr\n0.946076 0.702959 0.385962 Sr\n0.303650 0.066721 0.105712 Ca\n0.299128 0.570787 0.105754 Ca\n0.805239 0.065328 0.106058 Ca\n0.802460 0.569026 0.105309 Ca\n0.194330 0.927893 0.389526 Ca\n0.198696 0.933190 0.896198 Ca\n0.699241 0.433557 0.895800 Ca\n0.057380 0.286242 0.107330 Ca\n0.051794 0.788217 0.106243 Ca\n0.553341 0.288360 0.106195 Ca\n0.548611 0.790399 0.106530 Ca\n0.949686 0.710732 0.896658 Ca\n0.104301 0.085564 0.247318 Fe\n0.111372 0.090819 0.754633 Fe\n0.102072 0.588679 0.242199 Fe\n0.106640 0.596137 0.753098 Fe\n0.601267 0.085983 0.241537 Fe\n0.608692 0.093705 0.750645 Fe\n0.603457 0.587934 0.243803 Fe\n0.612604 0.591404 0.755767 Fe\n0.353318 0.405862 0.242052 Fe\n0.360250 0.409522 0.751329 Fe\n0.350691 0.907652 0.247411 Fe\n0.358106 0.909892 0.755080 Fe\n0.853944 0.407572 0.244316 Fe\n0.858002 0.415437 0.758073 Fe\n0.853757 0.905646 0.242648 Fe\n0.861838 0.907215 0.751775 Fe\n0.011464 0.000864 0.006076 Co\n0.002365 0.998477 0.496300 Co\n0.006874 0.502141 0.004045 Co\n0.005021 0.499489 0.498702 Co\n0.508320 0.001757 0.005757 Co\n0.505202 0.999447 0.498614 Co\n0.509492 0.505005 0.007560 Co\n0.505338 0.498915 0.498372 Co\n0.260951 0.251397 0.005650 Co\n0.253393 0.248578 0.496475 Co\n0.256954 0.754375 0.006341 Co\n0.254516 0.748052 0.499031 Co\n0.760692 0.257089 0.009562 Co\n0.753401 0.251733 0.498916 Co\n0.756775 0.750951 0.002949 Co\n0.753893 0.749645 0.499471 Co\n0.118171 0.110069 0.488554 O\n0.130160 0.115584 0.991714 O\n0.131041 0.627322 0.491861 O\n0.122470 0.630623 0.991211 O\n0.623091 0.125457 0.490522 O\n0.637048 0.134207 0.996613 O\n0.622674 0.620163 0.491036 O\n0.623452 0.616324 0.993337 O\n0.137422 0.383515 0.018594 O\n0.134898 0.369544 0.504472 O\n0.132186 0.883490 0.013655 O\n0.130869 0.876091 0.504189 O\n0.641238 0.384820 0.019178 O\n0.633450 0.377217 0.506980 O\n0.637293 0.883806 0.016415 O\n0.627235 0.881044 0.505516 O\n0.367907 0.113643 0.488815 O\n0.379251 0.117601 0.993381 O\n0.374917 0.617484 0.489780 O\n0.374009 0.623747 0.995582 O\n0.871599 0.122526 0.490812 O\n0.886004 0.115232 0.995858 O\n0.876525 0.622488 0.490820 O\n0.873238 0.613268 0.989410 O\n0.392934 0.390737 0.015583 O\n0.385737 0.379362 0.506571 O\n0.384103 0.883900 0.019040 O\n0.373377 0.870715 0.503710 O\n0.881596 0.376224 0.014555 O\n0.882132 0.377399 0.507097 O\n0.890008 0.883483 0.016583 O\n0.885013 0.886793 0.504483 O\n0.095185 0.103720 0.142580 O\n0.085929 0.093683 0.644801 O\n0.086684 0.604686 0.137197 O\n0.081397 0.594448 0.642570 O\n0.591508 0.104279 0.137992 O\n0.578721 0.092865 0.639010 O\n0.592232 0.608158 0.140642 O\n0.588481 0.594945 0.646851 O\n0.435937 0.404641 0.351559 O\n0.449388 0.406166 0.860051 O\n0.437572 0.909155 0.358269 O\n0.447493 0.907768 0.864017 O\n0.939105 0.408340 0.354463 O\n0.944427 0.405378 0.865633 O\n0.941675 0.906500 0.353267 O\n0.948297 0.895752 0.860096 O\n0.342513 0.282784 0.139449 O\n0.330620 0.296424 0.640241 O\n0.338037 0.786102 0.144390 O\n0.331931 0.798483 0.644592 O\n0.845126 0.283398 0.141096 O\n0.835625 0.304081 0.649350 O\n0.840819 0.784031 0.138894 O\n0.832819 0.798294 0.641030 O\n0.188276 0.199562 0.357403 O\n0.194908 0.209502 0.861611 O\n0.185234 0.704151 0.351440 O\n0.193966 0.715389 0.858839 O\n0.685049 0.197221 0.350010 O\n0.691792 0.213864 0.857481 O\n0.686668 0.698518 0.354017 O\n0.700112 0.707749 0.863458 O\n0.420513 0.059913 0.239262 O\n0.431693 0.063683 0.752163 O\n0.421120 0.561446 0.237784 O\n0.432595 0.566392 0.752025 O\n0.921420 0.062312 0.239335 O\n0.932256 0.064517 0.752392 O\n0.921596 0.562231 0.238597 O\n0.930688 0.573866 0.760617 O\n0.171833 0.429910 0.238814 O\n0.182980 0.440803 0.753049 O\n0.169555 0.926178 0.246885 O\n0.181820 0.935067 0.760133 O\n0.672445 0.428337 0.239551 O\n0.679861 0.434188 0.760119 O\n0.672393 0.927868 0.238936 O\n0.685075 0.939539 0.752824 O\n",
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"elements": [
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"density_atomic": 0.07491252395450353,
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"formula_full": "Sr20 Ca12 Fe16 Co16 O80",
"formula_reduced": "Sr5Ca3Fe4(CoO5)4",
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"energy": -1025.98852889,
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"updated_at": "2021-11-28T01:38:29.926000Z",
"spacegroup": 1
},
{
"id": "mp-1022946",
"created_at": "2022-09-04T14:48:08.875314Z",
"structure_string": "Mg12 Mn2 Cd2\n1.0\n5.004817 0.000000 0.000000\n0.000000 6.236838 0.000000\n0.000000 0.000000 10.844970\nMg Mn Cd\n12 2 2\ndirect\n0.000000 0.250578 0.083256 Mg\n0.000000 0.749422 0.083256 Mg\n0.000000 0.000000 0.333428 Mg\n0.500000 0.744347 0.413847 Mg\n0.500000 0.255653 0.413847 Mg\n0.500000 0.000000 0.167576 Mg\n0.000000 0.750578 0.583256 Mg\n0.000000 0.249422 0.583256 Mg\n0.000000 0.500000 0.833428 Mg\n0.500000 0.244347 0.913847 Mg\n0.500000 0.755653 0.913847 Mg\n0.500000 0.500000 0.667576 Mg\n0.000000 0.500000 0.334070 Mn\n0.000000 0.000000 0.834070 Mn\n0.500000 0.500000 0.170720 Cd\n0.500000 0.000000 0.670720 Cd\n",
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"elements": [
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"formula_full": "Mg12 Mn2 Cd2",
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"spacegroup": 38
},
{
"id": "mp-1101222",
"created_at": "2022-09-04T14:48:08.896047Z",
"structure_string": "V4 O3 F9\n1.0\n-5.180514 0.000000 0.000000\n0.103680 5.415668 0.000000\n-0.005872 -0.325543 -7.571466\nV O F\n4 3 9\ndirect\n0.522143 0.511040 0.495655 V\n0.518996 0.526946 0.003780 V\n0.998645 0.996014 0.499277 V\n0.026539 0.020094 0.995103 V\n0.274835 0.212625 0.962981 O\n0.711429 0.775024 0.036353 O\n0.782675 0.692637 0.459356 O\n0.095717 0.990013 0.250345 F\n0.208583 0.310572 0.542916 F\n0.204257 0.705996 0.944312 F\n0.298069 0.800961 0.554334 F\n0.393664 0.506011 0.249110 F\n0.593677 0.477561 0.750467 F\n0.694174 0.191478 0.448043 F\n0.777570 0.278722 0.058435 F\n0.899026 0.004303 0.749532 F\n",
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"formula_full": "V4 O3 F9",
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{
"id": "mp-510306",
"created_at": "2022-09-04T14:48:08.905735Z",
"structure_string": "Sc8 Cr4 B24\n1.0\n3.371452 0.000000 0.000000\n0.000000 8.901384 0.000000\n0.000000 0.000000 11.170715\nSc Cr B\n8 4 24\ndirect\n0.000000 0.823311 0.085462 Sc\n0.000000 0.176689 0.914538 Sc\n0.000000 0.323311 0.414538 Sc\n0.000000 0.676689 0.585462 Sc\n0.000000 0.443129 0.131003 Sc\n0.000000 0.556871 0.868997 Sc\n0.000000 0.943129 0.368997 Sc\n0.000000 0.056871 0.631003 Sc\n0.000000 0.141403 0.180715 Cr\n0.000000 0.858597 0.819285 Cr\n0.000000 0.641403 0.319285 Cr\n0.000000 0.358597 0.680715 Cr\n0.500000 0.053895 0.065351 B\n0.500000 0.946105 0.934649 B\n0.500000 0.553895 0.434649 B\n0.500000 0.446105 0.565351 B\n0.500000 0.252170 0.079752 B\n0.500000 0.747830 0.920248 B\n0.500000 0.752170 0.420248 B\n0.500000 0.247830 0.579752 B\n0.500000 0.295299 0.237168 B\n0.500000 0.704701 0.762832 B\n0.500000 0.795299 0.262832 B\n0.500000 0.204701 0.737168 B\n0.500000 0.131290 0.317610 B\n0.500000 0.868710 0.682390 B\n0.500000 0.631290 0.182390 B\n0.500000 0.368710 0.817610 B\n0.500000 0.480971 0.288492 B\n0.500000 0.519029 0.711508 B\n0.500000 0.980971 0.211508 B\n0.500000 0.019029 0.788492 B\n0.500000 0.098342 0.473169 B\n0.500000 0.901658 0.526831 B\n0.500000 0.598342 0.026831 B\n0.500000 0.401658 0.973169 B\n",
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"density": 4.096843451774347,
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{
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"structure_string": "Cs16 Fe16 O32\n1.0\n6.046041 0.000000 0.000000\n0.000000 12.134242 0.000000\n0.000000 0.000000 17.148859\nCs Fe O\n16 16 32\ndirect\n0.250159 0.004725 0.437335 Cs\n0.750159 0.495275 0.562665 Cs\n0.749841 0.504725 0.062665 Cs\n0.249841 0.995275 0.937335 Cs\n0.749841 0.995275 0.562665 Cs\n0.249841 0.504725 0.437335 Cs\n0.250159 0.495275 0.937335 Cs\n0.750159 0.004725 0.062665 Cs\n0.789080 0.255067 0.187014 Cs\n0.289080 0.244933 0.812986 Cs\n0.210920 0.755067 0.312986 Cs\n0.710920 0.744933 0.687014 Cs\n0.210920 0.744933 0.812986 Cs\n0.710920 0.755067 0.187014 Cs\n0.789080 0.244933 0.687014 Cs\n0.289080 0.255067 0.312986 Cs\n0.758463 0.002585 0.311792 Fe\n0.258463 0.497415 0.688208 Fe\n0.241537 0.502585 0.188208 Fe\n0.741537 0.997415 0.811792 Fe\n0.241537 0.997415 0.688208 Fe\n0.741537 0.502585 0.311792 Fe\n0.758463 0.497415 0.811792 Fe\n0.258463 0.002585 0.188208 Fe\n0.275316 0.255546 0.062291 Fe\n0.775316 0.244454 0.937709 Fe\n0.724684 0.755546 0.437709 Fe\n0.224684 0.744454 0.562291 Fe\n0.724684 0.744454 0.937709 Fe\n0.224684 0.755546 0.062291 Fe\n0.275316 0.244454 0.562291 Fe\n0.775316 0.255546 0.437709 Fe\n0.798751 0.141601 0.361774 O\n0.298752 0.358399 0.638226 O\n0.201248 0.641601 0.138226 O\n0.701249 0.858399 0.861774 O\n0.201248 0.858399 0.638226 O\n0.701249 0.641601 0.361774 O\n0.798751 0.358399 0.861774 O\n0.298752 0.141601 0.138226 O\n0.688608 0.111145 0.886482 O\n0.188608 0.388855 0.113518 O\n0.311392 0.611145 0.613518 O\n0.811392 0.888855 0.386482 O\n0.311392 0.888855 0.113518 O\n0.811392 0.611145 0.886482 O\n0.688608 0.388855 0.386482 O\n0.188608 0.111145 0.613518 O\n0.555225 0.220486 0.513660 O\n0.055225 0.279514 0.486340 O\n0.444775 0.720486 0.986340 O\n0.944775 0.779514 0.013660 O\n0.444775 0.779514 0.486340 O\n0.944775 0.720486 0.513660 O\n0.555225 0.279514 0.013660 O\n0.055225 0.220486 0.986340 O\n0.463598 0.989158 0.272630 O\n0.963598 0.510842 0.727370 O\n0.536402 0.489158 0.227370 O\n0.036402 0.010842 0.772630 O\n0.536402 0.010842 0.727370 O\n0.036402 0.489158 0.272630 O\n0.463598 0.510842 0.772630 O\n0.963598 0.989158 0.227370 O\n",
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{
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"structure_string": "Ho8 Si8 O28\n1.0\n5.077395 0.000000 0.000000\n0.000000 8.158749 0.000000\n0.000000 0.000000 13.751068\nHo Si O\n8 8 28\ndirect\n0.842542 0.510046 0.625609 Ho\n0.157458 0.010046 0.374391 Ho\n0.657458 0.510046 0.125609 Ho\n0.342542 0.010046 0.874391 Ho\n0.842542 0.989954 0.625609 Ho\n0.157458 0.489954 0.374391 Ho\n0.657458 0.989954 0.125609 Ho\n0.342542 0.489954 0.874391 Ho\n0.125815 0.250000 0.040817 Si\n0.874185 0.750000 0.959183 Si\n0.374185 0.250000 0.540817 Si\n0.625815 0.750000 0.459183 Si\n0.880164 0.250000 0.818213 Si\n0.119836 0.750000 0.181787 Si\n0.619836 0.250000 0.318213 Si\n0.380164 0.750000 0.681787 Si\n0.847836 0.250000 0.100179 O\n0.152164 0.750000 0.899821 O\n0.652164 0.250000 0.600179 O\n0.347836 0.750000 0.399821 O\n0.294003 0.419672 0.047661 O\n0.705997 0.919672 0.952339 O\n0.205997 0.419672 0.547661 O\n0.794003 0.919672 0.452339 O\n0.294003 0.080328 0.047661 O\n0.705997 0.580328 0.952339 O\n0.205997 0.080328 0.547661 O\n0.794003 0.580328 0.452339 O\n0.066449 0.250000 0.919511 O\n0.933551 0.750000 0.080489 O\n0.433551 0.250000 0.419511 O\n0.566449 0.750000 0.580489 O\n0.491523 0.584426 0.733505 O\n0.508477 0.084426 0.266495 O\n0.008477 0.584426 0.233505 O\n0.991523 0.084426 0.766495 O\n0.491523 0.915574 0.733505 O\n0.508477 0.415574 0.266495 O\n0.008477 0.915574 0.233505 O\n0.991523 0.415574 0.766495 O\n0.068740 0.750000 0.655098 O\n0.931260 0.250000 0.344902 O\n0.431260 0.750000 0.155098 O\n0.568740 0.250000 0.844902 O\n",
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