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{
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{
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"structure_string": "Li8 Ti6 Co12 O36\n1.0\n2.876560 0.000000 0.000000\n0.000000 8.821422 0.000000\n0.000000 0.017957 24.642597\nLi Ti Co O\n8 6 12 36\ndirect\n0.500000 0.812998 0.993267 Li\n0.500000 0.809118 0.208869 Li\n0.500000 0.691159 0.708376 Li\n0.500000 0.683994 0.493451 Li\n0.500000 0.321794 0.503074 Li\n0.500000 0.310972 0.295994 Li\n0.500000 0.188206 0.795791 Li\n0.500000 0.181314 0.002340 Li\n0.500000 0.985856 0.103674 Ti\n0.500000 0.516927 0.603224 Ti\n0.500000 0.489061 0.394907 Ti\n0.000000 0.349238 0.695033 Ti\n0.000000 0.150662 0.195550 Ti\n0.500000 0.001918 0.893019 Ti\n0.500000 0.003522 0.500884 Co\n0.500000 0.969397 0.312412 Co\n0.000000 0.870360 0.585924 Co\n0.000000 0.853113 0.805100 Co\n0.000000 0.648001 0.305143 Co\n0.000000 0.630283 0.086149 Co\n0.500000 0.530916 0.811895 Co\n0.500000 0.497142 0.000801 Co\n0.500000 0.488877 0.190623 Co\n0.000000 0.366705 0.914367 Co\n0.000000 0.131507 0.414579 Co\n0.500000 0.009712 0.691427 Co\n0.500000 0.996114 0.425981 O\n0.500000 0.007095 0.575746 O\n0.000000 0.954820 0.941621 O\n0.000000 0.942344 0.161551 O\n0.000000 0.896787 0.661807 O\n0.500000 0.886944 0.757990 O\n0.000000 0.859857 0.507632 O\n0.000000 0.850089 0.281810 O\n0.500000 0.812189 0.854765 O\n0.500000 0.772883 0.086629 O\n0.500000 0.725055 0.586155 O\n0.500000 0.688091 0.353577 O\n0.000000 0.648682 0.781932 O\n0.000000 0.641593 0.009136 O\n0.500000 0.612422 0.257975 O\n0.000000 0.604336 0.160708 O\n0.000000 0.556998 0.661600 O\n0.000000 0.547742 0.441398 O\n0.500000 0.494411 0.077701 O\n0.500000 0.502430 0.924548 O\n0.000000 0.460896 0.555926 O\n0.000000 0.448903 0.336211 O\n0.000000 0.414560 0.841438 O\n0.500000 0.390021 0.746197 O\n0.000000 0.351621 0.991157 O\n0.000000 0.362308 0.216511 O\n0.500000 0.316087 0.643006 O\n0.500000 0.280110 0.411000 O\n0.500000 0.224400 0.911227 O\n0.500000 0.183403 0.142537 O\n0.000000 0.136928 0.716606 O\n0.000000 0.147824 0.492773 O\n0.500000 0.109648 0.245549 O\n0.000000 0.086567 0.340515 O\n0.000000 0.055183 0.836875 O\n0.000000 0.037908 0.056338 O\n",
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{
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"structure_string": "Re12 Pb6 C4 S4 N8 O52\n1.0\n16.338482 0.000000 0.000000\n0.000000 16.338482 0.000000\n0.000000 0.000000 6.026038\nRe Pb C S N O\n12 6 4 4 8 52\ndirect\n0.025614 0.819388 0.469157 Re\n0.974386 0.180612 0.469157 Re\n0.180612 0.025614 0.530843 Re\n0.474386 0.319388 0.530843 Re\n0.819388 0.974386 0.530843 Re\n0.525614 0.680612 0.530843 Re\n0.319388 0.525614 0.469157 Re\n0.680612 0.474386 0.469157 Re\n0.608510 0.891490 0.995375 Re\n0.391490 0.108510 0.995375 Re\n0.108510 0.608510 0.004625 Re\n0.891490 0.391490 0.004625 Re\n0.080744 0.419256 0.519742 Pb\n0.919256 0.580744 0.519742 Pb\n0.580744 0.080744 0.480258 Pb\n0.419256 0.919256 0.480258 Pb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.197114 0.302886 0.012486 C\n0.802886 0.697114 0.012486 C\n0.697114 0.197114 0.987514 C\n0.302886 0.802886 0.987514 C\n0.119523 0.380477 0.014149 S\n0.880477 0.619523 0.014149 S\n0.619523 0.119523 0.985851 S\n0.380477 0.880477 0.985851 S\n0.268742 0.337035 0.012747 N\n0.731258 0.662965 0.012747 N\n0.662965 0.268742 0.987253 N\n0.231258 0.837035 0.987253 N\n0.337035 0.731258 0.987253 N\n0.768742 0.162965 0.987253 N\n0.837035 0.768742 0.012747 N\n0.162965 0.231258 0.012747 N\n0.112750 0.995511 0.321064 O\n0.887250 0.004489 0.321064 O\n0.004489 0.112750 0.678936 O\n0.387250 0.495511 0.678936 O\n0.995511 0.887250 0.678936 O\n0.612750 0.504489 0.678936 O\n0.495511 0.612750 0.321064 O\n0.504489 0.387250 0.321064 O\n0.090608 0.713185 0.003062 O\n0.909392 0.286815 0.003062 O\n0.286815 0.090608 0.996938 O\n0.409392 0.213185 0.996938 O\n0.713185 0.909392 0.996938 O\n0.590608 0.786815 0.996938 O\n0.213185 0.590608 0.003062 O\n0.786815 0.409392 0.003062 O\n0.564508 0.935492 0.753443 O\n0.435492 0.064508 0.753443 O\n0.064508 0.564508 0.246557 O\n0.935492 0.435492 0.246557 O\n0.278117 0.978747 0.490489 O\n0.721883 0.021253 0.490489 O\n0.021253 0.278117 0.509511 O\n0.221883 0.478747 0.509511 O\n0.978747 0.721883 0.509511 O\n0.778117 0.521253 0.509511 O\n0.478747 0.778117 0.490489 O\n0.521253 0.221883 0.490489 O\n0.189468 0.310532 0.503426 O\n0.810532 0.689468 0.503426 O\n0.689468 0.189468 0.496574 O\n0.310532 0.810532 0.496574 O\n0.359567 0.496314 0.211551 O\n0.640433 0.503686 0.211551 O\n0.503686 0.359567 0.788449 O\n0.140433 0.996314 0.788449 O\n0.496314 0.640433 0.788449 O\n0.859567 0.003686 0.788449 O\n0.996314 0.859567 0.211551 O\n0.003686 0.140433 0.211551 O\n0.563269 0.936731 0.235119 O\n0.436731 0.063269 0.235119 O\n0.063269 0.563269 0.764881 O\n0.936731 0.436731 0.764881 O\n0.131284 0.809798 0.477598 O\n0.868716 0.190202 0.477598 O\n0.190202 0.131284 0.522402 O\n0.368716 0.309798 0.522402 O\n0.809798 0.868716 0.522402 O\n0.631284 0.690202 0.522402 O\n0.309798 0.631284 0.477598 O\n0.690202 0.368716 0.477598 O\n",
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"formula_full": "Re12 Pb6 C4 S4 N8 O52",
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{
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"structure_string": "Na1 Dy1 Fe4 O12\n1.0\n0.000000 -3.642311 -3.805119\n0.000000 -3.642311 3.805119\n-7.651251 0.000000 0.000000\nNa Dy Fe O\n1 1 4 12\ndirect\n0.010098 0.989902 0.500000 Na\n0.475731 0.524269 0.000000 Dy\n0.498405 0.005306 0.258679 Fe\n0.498405 0.005306 0.741321 Fe\n0.994694 0.501595 0.741321 Fe\n0.994694 0.501595 0.258679 Fe\n0.303959 0.306325 0.242990 O\n0.693675 0.696041 0.242990 O\n0.693675 0.696041 0.757010 O\n0.303959 0.306325 0.757010 O\n0.217038 0.782962 0.183098 O\n0.798660 0.201340 0.301207 O\n0.798660 0.201340 0.698793 O\n0.217038 0.782962 0.816902 O\n0.553164 0.065875 0.000000 O\n0.435430 0.939611 0.500000 O\n0.934125 0.446836 0.000000 O\n0.060389 0.564570 0.500000 O\n",
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{
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{
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"structure_string": "Li4 Co2 Cl8\n1.0\n-3.653760 3.702197 4.922211\n3.653760 -3.702197 4.922211\n3.653760 3.702197 -4.922211\nLi Co Cl\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.270203 0.759253 0.510949 Cl\n0.748304 0.759253 0.989051 Cl\n0.752227 0.766940 0.514712 Cl\n0.752227 0.237515 0.985288 Cl\n0.729797 0.240747 0.489051 Cl\n0.251696 0.240747 0.010949 Cl\n0.247773 0.233060 0.485288 Cl\n0.247773 0.762485 0.014712 Cl\n",
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{
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"structure_string": "Ce2 Sb4 Pd4\n1.0\n4.673721 0.000000 0.000000\n0.000000 4.673721 0.000000\n0.000000 0.000000 10.470851\nCe Sb Pd\n2 4 4\ndirect\n0.000000 0.500000 0.241030 Ce\n0.500000 0.000000 0.758970 Ce\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.871386 Sb\n0.500000 0.000000 0.128614 Sb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.625077 Pd\n0.500000 0.000000 0.374923 Pd\n",
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{
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"density": 5.914961037780243,
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"formula_full": "Gd3 Pb1 C1",
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{
"id": "mp-1221627",
"created_at": "2022-09-04T14:42:25.703631Z",
"structure_string": "Mn1 Al1 Cu1 Pd1\n1.0\n0.000000 3.032027 3.032027\n3.032027 0.000000 3.032027\n3.032027 3.032027 0.000000\nMn Al Cu Pd\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Pd\n",
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"elements": [
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"volume": 55.74798681915,
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"formula_full": "Mn1 Al1 Cu1 Pd1",
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{
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"structure_string": "Ca2 Si4 W2 O12\n1.0\n4.451270 5.349184 0.000000\n-4.451270 5.349184 0.000000\n0.000000 1.145907 4.989787\nCa Si W O\n2 4 2 12\ndirect\n0.715299 0.284701 0.250000 Ca\n0.284701 0.715299 0.750000 Ca\n0.794210 0.603511 0.726268 Si\n0.396489 0.205790 0.773732 Si\n0.603511 0.794210 0.226268 Si\n0.205790 0.396489 0.273732 Si\n0.933860 0.066140 0.750000 W\n0.066140 0.933860 0.250000 W\n0.667847 0.612634 0.473730 O\n0.387366 0.332153 0.026270 O\n0.332153 0.387366 0.526270 O\n0.612634 0.667847 0.973730 O\n0.884986 0.379048 0.823756 O\n0.620952 0.115014 0.676244 O\n0.115014 0.620952 0.176244 O\n0.379048 0.884986 0.323756 O\n0.762590 0.946946 0.152416 O\n0.053054 0.237410 0.347584 O\n0.946946 0.762590 0.652416 O\n0.237410 0.053054 0.847584 O\n",
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"elements": [
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]
}