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{
"id": "mp-863390",
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"structure_string": "Li12 Co12 P12 O48\n1.0\n5.429137 -9.403541 0.000000\n5.429137 9.403541 0.000000\n0.000000 0.000000 11.580322\nLi Co P O\n12 12 12 48\ndirect\n0.000000 0.500000 0.010433 Li\n0.000000 0.500000 0.656234 Li\n0.000000 0.500000 0.333333 Li\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.833333 Li\n0.500000 0.500000 0.343766 Li\n0.500000 0.500000 0.666667 Li\n0.500000 0.500000 0.989567 Li\n0.500000 0.000000 0.322901 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.677099 Li\n0.000000 0.751951 0.333333 Co\n0.246226 0.753774 0.666667 Co\n0.000000 0.248049 0.333333 Co\n0.246226 0.492452 0.000000 Co\n0.248049 0.248049 0.666667 Co\n0.507548 0.753774 0.333333 Co\n0.248049 0.000000 0.000000 Co\n0.492452 0.246226 0.333333 Co\n0.751951 0.751951 0.666667 Co\n0.753774 0.507548 0.000000 Co\n0.753774 0.246226 0.666667 Co\n0.751951 0.000000 0.000000 Co\n0.000000 0.746511 0.833333 P\n0.000000 0.253489 0.833333 P\n0.252501 0.747499 0.166667 P\n0.252501 0.505002 0.500000 P\n0.494998 0.747499 0.833333 P\n0.253489 0.253489 0.166667 P\n0.253489 0.000000 0.500000 P\n0.746511 0.746511 0.166667 P\n0.505002 0.252501 0.833333 P\n0.747499 0.494998 0.500000 P\n0.747499 0.252501 0.166667 P\n0.746511 0.000000 0.500000 P\n0.105978 0.892731 0.447785 O\n0.107269 0.894022 0.885549 O\n0.062449 0.690623 0.740244 O\n0.125310 0.704370 0.249909 O\n0.295630 0.874690 0.083425 O\n0.309377 0.937551 0.593090 O\n0.199707 0.590367 0.572173 O\n0.062449 0.371825 0.926423 O\n0.199707 0.609339 0.094494 O\n0.125310 0.420940 0.416758 O\n0.105978 0.213248 0.218882 O\n0.409633 0.800293 0.761161 O\n0.390661 0.800293 0.238839 O\n0.107269 0.213248 0.781118 O\n0.295630 0.420940 0.583242 O\n0.409633 0.609339 0.905506 O\n0.309377 0.371825 0.073577 O\n0.390661 0.590367 0.427827 O\n0.213248 0.107269 0.552215 O\n0.213248 0.105978 0.114451 O\n0.628175 0.937551 0.406910 O\n0.579060 0.874690 0.916575 O\n0.579060 0.704370 0.750091 O\n0.371825 0.309377 0.259756 O\n0.628175 0.690623 0.259756 O\n0.420940 0.295630 0.750091 O\n0.420940 0.125310 0.916575 O\n0.371825 0.062449 0.406910 O\n0.786752 0.894022 0.114451 O\n0.786752 0.892731 0.552215 O\n0.609339 0.409633 0.427827 O\n0.690623 0.628175 0.073577 O\n0.590367 0.390661 0.905506 O\n0.704370 0.579060 0.583242 O\n0.892731 0.786752 0.781118 O\n0.609339 0.199707 0.238839 O\n0.590367 0.199707 0.761161 O\n0.894022 0.786752 0.218882 O\n0.874690 0.579060 0.416758 O\n0.800293 0.390661 0.094494 O\n0.937551 0.628175 0.926423 O\n0.800293 0.409633 0.572173 O\n0.690623 0.062449 0.593090 O\n0.704370 0.125310 0.083425 O\n0.874690 0.295630 0.249909 O\n0.937551 0.309377 0.740244 O\n0.892731 0.105978 0.885549 O\n0.894022 0.107269 0.447785 O\n",
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"elements": [
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],
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"density_atomic": 0.07104056905657072,
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"formula_full": "Li12 Co12 P12 O48",
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{
"id": "mp-572131",
"created_at": "2022-09-04T14:46:16.626026Z",
"structure_string": "Sb4 S32 Cl20 O4\n1.0\n9.473584 0.000000 0.000000\n0.000000 11.051111 0.000000\n0.000000 0.000000 17.609455\nSb S Cl O\n4 32 20 4\ndirect\n0.750000 0.698708 0.974282 Sb\n0.250000 0.301292 0.025718 Sb\n0.250000 0.198708 0.525718 Sb\n0.750000 0.801292 0.474282 Sb\n0.925199 0.272207 0.780974 S\n0.250000 0.776489 0.787799 S\n0.750000 0.276489 0.712201 S\n0.074801 0.772207 0.719026 S\n0.503411 0.904546 0.217751 S\n0.996589 0.904546 0.217751 S\n0.496589 0.404546 0.282249 S\n0.431412 0.513591 0.622339 S\n0.074801 0.727793 0.219026 S\n0.003411 0.404546 0.282249 S\n0.750000 0.920253 0.830193 S\n0.574801 0.227793 0.280974 S\n0.503411 0.595454 0.717751 S\n0.425199 0.727793 0.219026 S\n0.003411 0.095454 0.782249 S\n0.925199 0.227793 0.280974 S\n0.068588 0.986409 0.122339 S\n0.431412 0.986409 0.122339 S\n0.750000 0.223511 0.212201 S\n0.496589 0.095454 0.782249 S\n0.750000 0.579747 0.330193 S\n0.574801 0.272207 0.780974 S\n0.068588 0.513591 0.622339 S\n0.568588 0.013591 0.877661 S\n0.568588 0.486409 0.377661 S\n0.931412 0.486409 0.377661 S\n0.425199 0.772207 0.719026 S\n0.250000 0.723511 0.287799 S\n0.996589 0.595454 0.717751 S\n0.931412 0.013591 0.877661 S\n0.250000 0.079747 0.169807 S\n0.250000 0.420253 0.669807 S\n0.250000 0.104324 0.405299 Cl\n0.750000 0.604324 0.094701 Cl\n0.750000 0.519477 0.900480 Cl\n0.999388 0.208479 0.533257 Cl\n0.250000 0.097142 0.974530 Cl\n0.250000 0.402858 0.474530 Cl\n0.499388 0.708479 0.966743 Cl\n0.750000 0.980523 0.400480 Cl\n0.500612 0.208479 0.533257 Cl\n0.999388 0.291521 0.033257 Cl\n0.250000 0.395676 0.905299 Cl\n0.750000 0.895676 0.594701 Cl\n0.000612 0.708479 0.966743 Cl\n0.750000 0.597142 0.525470 Cl\n0.750000 0.902858 0.025470 Cl\n0.500612 0.291521 0.033257 Cl\n0.499388 0.791521 0.466743 Cl\n0.000612 0.791521 0.466743 Cl\n0.250000 0.480523 0.099520 Cl\n0.250000 0.019477 0.599520 Cl\n0.250000 0.289658 0.640342 O\n0.750000 0.789658 0.859658 O\n0.250000 0.210342 0.140343 O\n0.750000 0.710342 0.359658 O\n",
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"O"
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"volume": 1843.5977372481693,
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"formula_full": "Sb4 S32 Cl20 O4",
"formula_reduced": "SbS8Cl5O",
"formula_anonymous": "ABC5D8",
"energy": -241.52594347,
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"spacegroup": 62
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{
"id": "mp-1203541",
"created_at": "2022-09-04T14:46:16.627085Z",
"structure_string": "K4 Ga4 Se8 O24\n1.0\n5.422278 0.000000 0.000000\n0.000000 7.428811 0.000000\n0.000000 0.000000 15.245269\nK Ga Se O\n4 4 8 24\ndirect\n0.250000 0.074126 0.889416 K\n0.250000 0.425874 0.389416 K\n0.750000 0.925874 0.110584 K\n0.750000 0.574126 0.610584 K\n0.750000 0.690966 0.872363 Ga\n0.750000 0.809034 0.372363 Ga\n0.250000 0.309034 0.127637 Ga\n0.250000 0.190966 0.627637 Ga\n0.250000 0.615277 0.976752 Se\n0.250000 0.884723 0.476752 Se\n0.750000 0.384723 0.023248 Se\n0.750000 0.115277 0.523248 Se\n0.250000 0.493998 0.774704 Se\n0.250000 0.006002 0.274704 Se\n0.750000 0.506002 0.225296 Se\n0.750000 0.993998 0.725296 Se\n0.250000 0.570936 0.088634 O\n0.250000 0.929064 0.588634 O\n0.750000 0.429064 0.911366 O\n0.750000 0.070936 0.411366 O\n0.002680 0.761635 0.966853 O\n0.497320 0.738365 0.466853 O\n0.502680 0.238365 0.033147 O\n0.997320 0.261635 0.533147 O\n0.997320 0.238365 0.033147 O\n0.502680 0.261635 0.533147 O\n0.497320 0.761635 0.966853 O\n0.002680 0.738365 0.466853 O\n0.250000 0.450123 0.662790 O\n0.250000 0.049877 0.162790 O\n0.750000 0.549877 0.337210 O\n0.750000 0.950123 0.837210 O\n0.004885 0.643856 0.779391 O\n0.495115 0.856144 0.279391 O\n0.504885 0.356144 0.220609 O\n0.995115 0.143856 0.720609 O\n0.995115 0.356144 0.220609 O\n0.504885 0.143856 0.720609 O\n0.495115 0.643856 0.779391 O\n0.004885 0.856144 0.279391 O\n",
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"formula_full": "K4 Ga4 Se8 O24",
"formula_reduced": "KGa(SeO3)2",
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{
"id": "mp-1176039",
"created_at": "2022-09-04T14:46:16.645537Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.979396 0.000000 0.000000\n-0.469899 5.965405 0.000000\n-0.280689 -0.230956 16.154728\nLi Mn Co O\n9 2 5 16\ndirect\n0.996185 0.495193 0.004762 Li\n0.495565 0.760621 0.129351 Li\n0.001126 0.006302 0.245568 Li\n0.501846 0.249003 0.873180 Li\n0.999280 0.000272 0.749442 Li\n0.500351 0.748191 0.625654 Li\n0.000363 0.500184 0.499426 Li\n0.501398 0.251552 0.372427 Li\n0.508385 0.239839 0.128383 Li\n0.996658 0.005200 0.003988 Mn\n0.999846 0.999004 0.499428 Mn\n0.003671 0.491099 0.244254 Co\n0.501650 0.748342 0.373094 Co\n0.497759 0.252456 0.625696 Co\n0.000021 0.500249 0.750622 Co\n0.488692 0.752497 0.874090 Co\n0.470274 0.777751 0.994534 O\n0.005633 0.996252 0.115869 O\n0.526861 0.271092 0.250479 O\n0.025599 0.513556 0.870699 O\n0.526162 0.263649 0.744821 O\n0.027141 0.012119 0.621576 O\n0.528897 0.752147 0.493569 O\n0.026539 0.513425 0.364942 O\n0.526047 0.218366 0.999475 O\n0.998148 0.504363 0.136755 O\n0.477165 0.735982 0.256051 O\n0.968421 0.984388 0.879335 O\n0.477111 0.735626 0.755831 O\n0.974729 0.488441 0.631967 O\n0.472400 0.245900 0.506146 O\n0.976076 0.986935 0.378586 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"structure_string": "Mn3 Fe3 As3\n1.0\n3.131534 -5.423976 0.000000\n3.131534 5.423976 0.000000\n0.000000 0.000000 3.450024\nMn Fe As\n3 3 3\ndirect\n0.594506 0.000000 0.500000 Mn\n0.405494 0.405494 0.500000 Mn\n0.000000 0.594506 0.500000 Mn\n0.254962 0.000000 0.000000 Fe\n0.745038 0.745038 0.000000 Fe\n0.000000 0.254962 0.000000 Fe\n0.333333 0.666667 0.000000 As\n0.666667 0.333333 0.000000 As\n0.000000 0.000000 0.500000 As\n",
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{
"id": "mp-1184469",
"created_at": "2022-09-04T14:46:16.653145Z",
"structure_string": "Gd3 Y1\n1.0\n5.045199 0.000000 0.000000\n0.000000 5.045199 0.000000\n0.000000 0.000000 5.045199\nGd Y\n3 1\ndirect\n0.000000 0.500000 0.500000 Gd\n0.500000 0.000000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.000000 0.000000 0.000000 Y\n",
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{
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"structure_string": "Ba3 Fe4 P8 Pb1 O28\n1.0\n5.590769 0.000000 0.000000\n0.009029 8.534854 0.000000\n0.211762 0.101816 13.009173\nBa Fe P Pb O\n3 4 8 1 28\ndirect\n0.219695 0.356619 0.217589 Ba\n0.280635 0.857083 0.281886 Ba\n0.779912 0.644408 0.781898 Ba\n0.185185 0.342436 0.891417 Fe\n0.685058 0.156643 0.392185 Fe\n0.812933 0.656164 0.109201 Fe\n0.315693 0.843911 0.609182 Fe\n0.243008 0.955625 0.837973 P\n0.743321 0.547674 0.340213 P\n0.756529 0.048051 0.160077 P\n0.256702 0.447523 0.660255 P\n0.687739 0.308552 0.015445 P\n0.187848 0.190381 0.517808 P\n0.311277 0.691860 0.983309 P\n0.812525 0.808567 0.484272 P\n0.713359 0.151017 0.718042 Pb\n0.803670 0.325013 0.907686 O\n0.299884 0.174922 0.409397 O\n0.194573 0.676180 0.090895 O\n0.695908 0.822486 0.591391 O\n0.415948 0.332428 0.018385 O\n0.915143 0.166767 0.523053 O\n0.583560 0.669034 0.981755 O\n0.084559 0.831497 0.481842 O\n0.509914 0.414243 0.698201 O\n0.008754 0.076835 0.197735 O\n0.491453 0.576441 0.301820 O\n0.988646 0.932179 0.799950 O\n0.311232 0.127529 0.853653 O\n0.803439 0.373886 0.355450 O\n0.695586 0.875115 0.145346 O\n0.202937 0.622288 0.647174 O\n0.259100 0.872994 0.950950 O\n0.762946 0.627226 0.452553 O\n0.737382 0.127151 0.046788 O\n0.237022 0.372411 0.546978 O\n0.433677 0.877472 0.767814 O\n0.934632 0.622997 0.268446 O\n0.566188 0.124640 0.231256 O\n0.062413 0.371669 0.730697 O\n0.810931 0.410748 0.096819 O\n0.318690 0.088659 0.598143 O\n0.190527 0.587858 0.902380 O\n0.689864 0.912817 0.402690 O\n",
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"formula_full": "Ba3 Fe4 P8 Pb1 O28",
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{
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