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{
"id": "mp-1211335",
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{
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"structure_string": "K8 Mo8 P8 O44\n1.0\n10.300400 0.000000 0.000000\n0.000000 10.038354 0.000000\n0.000000 1.434548 9.957872\nK Mo P O\n8 8 8 44\ndirect\n0.179934 0.231876 0.046593 K\n0.679934 0.768124 0.953407 K\n0.823758 0.764314 0.442253 K\n0.323758 0.235686 0.557747 K\n0.000002 0.999610 0.750048 K\n0.500002 0.000390 0.249952 K\n0.080114 0.497509 0.259535 K\n0.580114 0.502491 0.740465 K\n0.084970 0.652082 0.889595 Mo\n0.584970 0.347918 0.110405 Mo\n0.915989 0.347387 0.608978 Mo\n0.415989 0.652613 0.391022 Mo\n0.320365 0.927031 0.899229 Mo\n0.820365 0.072969 0.100771 Mo\n0.680095 0.072229 0.600473 Mo\n0.180095 0.927771 0.399527 Mo\n0.075324 0.872683 0.106583 P\n0.575324 0.127317 0.893417 P\n0.925332 0.127961 0.393193 P\n0.425332 0.872039 0.606807 P\n0.378223 0.607106 0.066122 P\n0.878223 0.392894 0.933878 P\n0.621480 0.392453 0.433439 P\n0.121480 0.607547 0.566561 P\n0.259893 0.080545 0.818353 O\n0.759893 0.919455 0.181647 O\n0.739675 0.918472 0.681574 O\n0.239675 0.081528 0.318426 O\n0.475312 0.033369 0.976813 O\n0.975312 0.966631 0.023187 O\n0.524622 0.966863 0.523282 O\n0.024622 0.033137 0.476718 O\n0.003073 0.465891 0.975582 O\n0.503073 0.534109 0.024418 O\n0.996703 0.533814 0.524096 O\n0.496703 0.466186 0.475904 O\n0.197535 0.804278 0.835099 O\n0.697535 0.195722 0.164901 O\n0.802377 0.195931 0.664263 O\n0.302377 0.804069 0.335737 O\n0.212076 0.934316 0.070815 O\n0.712076 0.065684 0.929185 O\n0.788401 0.067057 0.429031 O\n0.288401 0.932943 0.570969 O\n0.406252 0.758866 0.023928 O\n0.906252 0.241134 0.976072 O\n0.593403 0.240757 0.476040 O\n0.093403 0.759243 0.523960 O\n0.448905 0.869992 0.759040 O\n0.948905 0.130008 0.240960 O\n0.551771 0.130340 0.740944 O\n0.051771 0.869660 0.259056 O\n0.060853 0.726022 0.076572 O\n0.560853 0.273978 0.923428 O\n0.941577 0.274844 0.423071 O\n0.441577 0.725156 0.576929 O\n0.143018 0.573770 0.720460 O\n0.643018 0.426230 0.279540 O\n0.855724 0.426315 0.778847 O\n0.355724 0.573685 0.221153 O\n0.256494 0.556985 0.997386 O\n0.756494 0.443015 0.002614 O\n0.739038 0.442590 0.509218 O\n0.239038 0.557410 0.490782 O\n0.934356 0.714904 0.833483 O\n0.434356 0.285096 0.166517 O\n0.065656 0.284448 0.667808 O\n0.565656 0.715552 0.332192 O\n",
"nsites": 68,
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"elements": [
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"O"
],
"chemical_system": "K-Mo-O-P",
"density": 3.2772128245769436,
"density_atomic": 0.0660428453895809,
"volume": 1029.6346197513753,
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"formula_full": "K8 Mo8 P8 O44",
"formula_reduced": "K2Mo2P2O11",
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"energy": -522.6781034100001,
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"spacegroup": 4
},
{
"id": "mp-35759",
"created_at": "2022-09-04T14:40:06.842237Z",
"structure_string": "Li4 Ni2 F8\n1.0\n-2.941026 3.006335 4.169692\n2.941026 -3.006335 4.169692\n2.941026 3.006335 -4.169692\nLi Ni F\n4 2 8\ndirect\n0.116322 0.866322 0.250000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.883678 0.133678 0.750000 Li\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.253812 0.737516 0.983704 F\n0.253812 0.270108 0.516296 F\n0.723650 0.738622 0.985028 F\n0.253595 0.738622 0.514972 F\n0.746405 0.261378 0.485028 F\n0.746188 0.729892 0.483704 F\n0.276350 0.261378 0.014972 F\n0.746188 0.262484 0.016296 F\n",
"nsites": 14,
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"elements": [
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"Ni",
"F"
],
"chemical_system": "F-Li-Ni",
"density": 3.345855078696675,
"density_atomic": 0.09493532272703353,
"volume": 147.46881980118235,
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"formula_full": "Li4 Ni2 F8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"id": "mp-777964",
"created_at": "2022-09-04T14:40:06.969670Z",
"structure_string": "Na4 Bi2 O6\n1.0\n5.175922 3.000551 0.000000\n-5.175922 3.000551 0.000000\n0.000000 2.020958 5.598957\nNa Bi O\n4 2 6\ndirect\n0.841168 0.158832 0.500000 Na\n0.158832 0.841168 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.333131 0.666869 0.000000 Bi\n0.666869 0.333131 0.000000 Bi\n0.714009 0.714009 0.774766 O\n0.926516 0.562856 0.219087 O\n0.562856 0.926516 0.219087 O\n0.073484 0.437144 0.780913 O\n0.437144 0.073484 0.780913 O\n0.285991 0.285991 0.225234 O\n",
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"density": 5.785432797370281,
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"volume": 173.91052398083812,
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"formula_full": "Na4 Bi2 O6",
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{
"id": "mp-774239",
"created_at": "2022-09-04T14:40:06.974245Z",
"structure_string": "Li4 Co8 O16\n1.0\n5.701638 0.000000 0.000000\n0.000000 5.701638 0.000000\n0.000000 0.000000 8.096217\nLi Co O\n4 8 16\ndirect\n0.500000 0.741877 0.000000 Li\n0.500000 0.258123 0.500000 Li\n0.741877 0.500000 0.250000 Li\n0.258123 0.500000 0.750000 Li\n0.744940 0.000000 0.250000 Co\n0.755237 0.755237 0.625000 Co\n0.755237 0.244763 0.875000 Co\n0.000000 0.744940 0.000000 Co\n0.000000 0.255060 0.500000 Co\n0.244763 0.755237 0.375000 Co\n0.244763 0.244763 0.125000 Co\n0.255060 0.000000 0.750000 Co\n0.513510 0.766593 0.260481 O\n0.513510 0.233407 0.239519 O\n0.766593 0.513510 0.989519 O\n0.766593 0.486490 0.510481 O\n0.764291 0.987574 0.015209 O\n0.764291 0.012426 0.484791 O\n0.987574 0.764291 0.234791 O\n0.987574 0.235709 0.265209 O\n0.012426 0.764291 0.765209 O\n0.012426 0.235709 0.734791 O\n0.235709 0.012426 0.515209 O\n0.235709 0.987574 0.984791 O\n0.233407 0.513510 0.010481 O\n0.233407 0.486490 0.489519 O\n0.486490 0.766593 0.739519 O\n0.486490 0.233407 0.760481 O\n",
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"volume": 263.19729433179083,
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"formula_full": "Li4 Co8 O16",
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"formula_anonymous": "AB2C4",
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{
"id": "mp-531419",
"created_at": "2022-09-04T14:40:06.762602Z",
"structure_string": "Mn16 V16 O52\n1.0\n7.030493 0.000000 0.000000\n-0.812341 7.817264 0.000000\n-3.437676 -1.207466 20.696349\nMn V O\n16 16 52\ndirect\n0.873580 0.640232 0.954137 Mn\n0.733453 0.754025 0.202616 Mn\n0.616728 0.877502 0.457240 Mn\n0.383272 0.122498 0.542760 Mn\n0.499047 0.014396 0.704549 Mn\n0.266547 0.245975 0.797384 Mn\n0.359602 0.128463 0.954068 Mn\n0.126420 0.359768 0.045863 Mn\n0.246962 0.267985 0.203499 Mn\n0.019403 0.504426 0.296929 Mn\n0.885017 0.610406 0.548093 Mn\n0.114983 0.389594 0.451907 Mn\n0.980597 0.495574 0.703071 Mn\n0.753038 0.732015 0.796501 Mn\n0.640398 0.871537 0.045932 Mn\n0.500953 0.985604 0.295451 Mn\n0.901176 0.189443 0.564917 V\n0.785099 0.306017 0.826123 V\n0.645301 0.454319 0.063548 V\n0.354699 0.545681 0.936452 V\n0.537333 0.559649 0.325461 V\n0.214901 0.693983 0.173877 V\n0.404606 0.680359 0.577719 V\n0.098824 0.810557 0.435083 V\n0.270453 0.831960 0.812863 V\n0.985657 0.908261 0.689448 V\n0.159731 0.933122 0.076003 V\n0.840269 0.066878 0.923997 V\n0.014343 0.091739 0.310552 V\n0.729547 0.168040 0.187137 V\n0.595394 0.319641 0.422281 V\n0.462667 0.440351 0.674539 V\n0.091263 0.194133 0.521505 O\n0.776137 0.505648 0.861670 O\n0.972398 0.307164 0.782511 O\n0.039412 0.947245 0.373879 O\n0.579819 0.645303 0.977995 O\n0.642204 0.644697 0.106975 O\n0.844346 0.442378 0.025941 O\n0.960588 0.052755 0.626121 O\n0.676175 0.099325 0.523408 O\n0.471232 0.243666 0.636547 O\n0.566136 0.212270 0.784186 O\n0.693037 0.314242 0.125867 O\n0.155654 0.557622 0.974059 O\n0.357796 0.355303 0.893026 O\n0.420181 0.354697 0.022005 O\n0.433864 0.787730 0.215814 O\n0.725198 0.563010 0.282043 O\n0.528768 0.756334 0.363453 O\n0.323825 0.900675 0.476592 O\n0.596698 0.677284 0.537111 O\n0.398736 0.875832 0.615995 O\n0.210053 0.013158 0.732057 O\n0.474400 0.816580 0.778202 O\n0.270547 0.018810 0.858608 O\n0.058838 0.162500 0.965407 O\n0.148812 0.132526 0.111487 O\n0.347475 0.935000 0.032620 O\n0.223863 0.494352 0.138330 O\n0.027602 0.692836 0.217489 O\n0.317330 0.465363 0.284515 O\n0.908737 0.805867 0.478495 O\n0.110071 0.616917 0.395359 O\n0.186621 0.583117 0.535476 O\n0.306963 0.685758 0.874133 O\n0.781087 0.931913 0.722334 O\n0.980958 0.719506 0.644147 O\n0.042933 0.731482 0.770255 O\n0.851188 0.867474 0.888513 O\n0.652525 0.065000 0.967380 O\n0.941162 0.837500 0.034593 O\n0.957067 0.268518 0.229745 O\n0.218913 0.068087 0.277666 O\n0.019042 0.280494 0.355853 O\n0.813379 0.416883 0.464524 O\n0.889929 0.383083 0.604641 O\n0.682670 0.534637 0.715485 O\n0.525600 0.183420 0.221798 O\n0.729453 0.981190 0.141392 O\n0.789947 0.986842 0.267943 O\n0.601264 0.124168 0.384005 O\n0.403302 0.322716 0.462889 O\n0.274802 0.436990 0.717957 O\n",
"nsites": 84,
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"V",
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],
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"density": 3.687697456998455,
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"volume": 1137.455194393243,
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"formula_full": "Mn16 V16 O52",
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"energy": -733.7849503,
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{
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"created_at": "2022-09-04T14:40:12.941930Z",
"structure_string": "Sn2 Pb2 S4\n1.0\n3.775833 0.000000 0.000000\n0.000000 6.346719 0.000000\n0.000000 0.000000 25.574326\nSn Pb S\n2 2 4\ndirect\n0.077413 0.500000 0.404739 Sn\n0.922587 0.500000 0.904739 Sn\n0.918029 0.500000 0.593605 Pb\n0.081971 0.500000 0.093605 Pb\n0.578686 0.500000 0.341842 S\n0.421314 0.500000 0.841842 S\n0.417838 0.500000 0.660314 S\n0.582162 0.500000 0.160314 S\n",
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{
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