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{
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{
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"formula_full": "Ca1 Co1 F6",
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{
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"structure_string": "Na5 Co1 C1 O5\n1.0\n4.956317 0.000000 0.000000\n0.000000 4.524104 0.000000\n0.000000 0.000000 8.339861\nNa Co C O\n5 1 1 5\ndirect\n0.504513 0.000000 0.776389 Na\n0.992925 0.500000 0.762227 Na\n0.504513 0.000000 0.223611 Na\n0.992925 0.500000 0.237773 Na\n0.986328 0.000000 0.500000 Na\n0.004372 0.000000 0.000000 Co\n0.426136 0.500000 0.500000 C\n0.005392 0.000000 0.787677 O\n0.005392 0.000000 0.212323 O\n0.163113 0.500000 0.500000 O\n0.554696 0.500000 0.636844 O\n0.554696 0.500000 0.363156 O\n",
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{
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{
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"structure_string": "Si3 Ge1\n1.0\n0.000000 3.167163 3.167163\n3.167163 0.000000 3.167163\n3.167163 3.167163 0.000000\nSi Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ge\n",
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"volume": 63.5391266623148,
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{
"id": "mp-1174020",
"created_at": "2022-09-04T14:47:20.952400Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n5.024130 0.000000 0.000000\n0.845448 5.065334 0.000000\n2.496742 2.125403 7.012346\nLi Mn Co O\n6 2 2 10\ndirect\n0.300565 0.505824 0.894158 Li\n0.486993 0.500394 0.504714 Li\n0.906126 0.500793 0.691325 Li\n0.096238 0.490976 0.307697 Li\n0.704772 0.499826 0.102183 Li\n0.198511 0.996888 0.600894 Li\n0.002242 0.001373 0.996440 Mn\n0.603169 0.002696 0.794463 Mn\n0.399547 0.007570 0.212451 Co\n0.807168 0.990113 0.408598 Co\n0.048015 0.223494 0.146450 O\n0.256128 0.225138 0.768325 O\n0.666535 0.221309 0.946724 O\n0.822079 0.233287 0.563324 O\n0.461444 0.229794 0.339916 O\n0.562521 0.772374 0.656850 O\n0.761467 0.771551 0.233739 O\n0.141484 0.761619 0.438364 O\n0.344696 0.784619 0.036597 O\n0.930302 0.780361 0.856790 O\n",
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{
"id": "mp-1185196",
"created_at": "2022-09-04T14:47:20.888909Z",
"structure_string": "Li20 Ni8 O18\n1.0\n9.812980 0.000000 0.000000\n0.000000 9.812980 0.000000\n0.000000 0.000000 4.680614\nLi Ni O\n20 8 18\ndirect\n0.500000 0.000000 0.844639 Li\n0.000000 0.500000 0.655361 Li\n0.000000 0.500000 0.155361 Li\n0.500000 0.000000 0.344639 Li\n0.687263 0.144194 0.794096 Li\n0.312737 0.855806 0.794096 Li\n0.812737 0.644194 0.705904 Li\n0.187263 0.355806 0.705904 Li\n0.855806 0.312737 0.205904 Li\n0.144194 0.687263 0.205904 Li\n0.355806 0.187263 0.294096 Li\n0.644194 0.812737 0.294096 Li\n0.812737 0.355806 0.705904 Li\n0.187263 0.644194 0.705904 Li\n0.687263 0.855806 0.794096 Li\n0.312737 0.144194 0.794096 Li\n0.644194 0.187263 0.294096 Li\n0.355806 0.812737 0.294096 Li\n0.144194 0.312737 0.205904 Li\n0.855806 0.687263 0.205904 Li\n0.500000 0.339046 0.773828 Ni\n0.500000 0.660954 0.773828 Ni\n0.000000 0.839046 0.726172 Ni\n0.000000 0.160954 0.726172 Ni\n0.660954 0.500000 0.226172 Ni\n0.339046 0.500000 0.226172 Ni\n0.160954 0.000000 0.273828 Ni\n0.839046 0.000000 0.273828 Ni\n0.673731 0.326269 0.000000 O\n0.326269 0.673731 0.000000 O\n0.826269 0.826269 0.500000 O\n0.173731 0.173731 0.500000 O\n0.826269 0.173731 0.500000 O\n0.173731 0.826269 0.500000 O\n0.673731 0.673731 0.000000 O\n0.326269 0.326269 0.000000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.342033 0.917585 O\n0.000000 0.657967 0.917585 O\n0.500000 0.842033 0.582415 O\n0.500000 0.157967 0.582415 O\n0.657967 0.000000 0.082415 O\n0.342033 0.000000 0.082415 O\n0.157967 0.500000 0.417585 O\n0.842033 0.500000 0.417585 O\n",
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{
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{
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}