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{
"id": "mp-759748",
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"structure_string": "Na4 Li8 Mn4 C8 S2 O32\n1.0\n0.000000 7.001552 7.005855\n6.747192 0.000000 7.005855\n6.747192 7.001552 0.000000\nNa Li Mn C S O\n4 8 4 8 2 32\ndirect\n0.779891 0.220109 0.779891 Na\n0.029891 0.470109 0.029891 Na\n0.220109 0.779891 0.220109 Na\n0.470109 0.029891 0.470109 Na\n0.149485 0.947937 0.615200 Li\n0.615200 0.287378 0.149485 Li\n0.302063 0.100515 0.962622 Li\n0.287378 0.615200 0.947937 Li\n0.962622 0.634800 0.302063 Li\n0.947937 0.149485 0.287378 Li\n0.634800 0.962622 0.100515 Li\n0.100515 0.302063 0.634800 Li\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.850777 0.452595 0.844623 C\n0.844623 0.852005 0.850777 C\n0.397995 0.405377 0.797405 C\n0.452595 0.850777 0.852005 C\n0.797405 0.399223 0.397995 C\n0.852005 0.844623 0.452595 C\n0.405377 0.397995 0.399223 C\n0.399223 0.797405 0.405377 C\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 S\n0.984425 0.836323 0.725116 O\n0.845272 0.438876 0.720709 O\n0.720709 0.995143 0.845272 O\n0.522072 0.425126 0.789196 O\n0.460804 0.986394 0.727928 O\n0.725116 0.454136 0.984425 O\n0.413677 0.265575 0.795864 O\n0.454136 0.725116 0.836323 O\n0.254857 0.529291 0.811124 O\n0.438876 0.845272 0.995143 O\n0.438069 0.185513 0.186927 O\n0.063073 0.060510 0.811931 O\n0.986394 0.460804 0.824874 O\n0.425126 0.522072 0.263606 O\n0.189490 0.186927 0.185513 O\n0.185513 0.438069 0.189490 O\n0.064487 0.811931 0.060510 O\n0.060510 0.063073 0.064487 O\n0.824874 0.727928 0.986394 O\n0.263606 0.789196 0.425126 O\n0.186927 0.189490 0.438069 O\n0.811931 0.064487 0.063073 O\n0.811124 0.404728 0.254857 O\n0.995143 0.720709 0.438876 O\n0.795864 0.524884 0.413677 O\n0.836323 0.984425 0.454136 O\n0.524884 0.795864 0.265575 O\n0.789196 0.263606 0.522072 O\n0.727928 0.824874 0.460804 O\n0.529291 0.254857 0.404728 O\n0.404728 0.811124 0.529291 O\n0.265575 0.413677 0.524884 O\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Li4 Mn16 P12 O48\n1.0\n6.590078 0.000000 0.000000\n0.000000 10.166244 0.000000\n0.000000 0.000000 15.969270\nLi Mn P O\n4 16 12 48\ndirect\n0.750000 0.258315 0.211890 Li\n0.750000 0.758315 0.288110 Li\n0.250000 0.741685 0.788110 Li\n0.250000 0.241685 0.711890 Li\n0.999961 0.745193 0.552562 Mn\n0.999961 0.245193 0.947438 Mn\n0.750000 0.427800 0.626343 Mn\n0.750000 0.034887 0.631928 Mn\n0.750000 0.534887 0.868072 Mn\n0.750000 0.927800 0.873657 Mn\n0.500039 0.745193 0.552562 Mn\n0.500039 0.245193 0.947438 Mn\n0.499961 0.254807 0.447438 Mn\n0.499961 0.754807 0.052562 Mn\n0.250000 0.572200 0.373657 Mn\n0.250000 0.465113 0.131928 Mn\n0.250000 0.965113 0.368072 Mn\n0.250000 0.072200 0.126343 Mn\n0.000039 0.754807 0.052562 Mn\n0.000039 0.254807 0.447438 Mn\n0.750000 0.473370 0.063253 P\n0.750000 0.051476 0.056397 P\n0.750000 0.551476 0.443603 P\n0.750000 0.204191 0.774090 P\n0.750000 0.973370 0.436747 P\n0.750000 0.704191 0.725910 P\n0.250000 0.295809 0.274090 P\n0.250000 0.795809 0.225910 P\n0.250000 0.448524 0.556397 P\n0.250000 0.526630 0.936747 P\n0.250000 0.948524 0.943603 P\n0.250000 0.026630 0.563253 P\n0.940026 0.610097 0.402373 O\n0.940026 0.110097 0.097627 O\n0.938775 0.444109 0.114988 O\n0.938775 0.944109 0.385012 O\n0.945742 0.756413 0.682687 O\n0.945742 0.256413 0.817313 O\n0.750000 0.897720 0.053382 O\n0.750000 0.620570 0.029825 O\n0.750000 0.242305 0.680188 O\n0.750000 0.550262 0.729782 O\n0.750000 0.599571 0.538659 O\n0.750000 0.385405 0.980139 O\n0.750000 0.099571 0.961341 O\n0.750000 0.885405 0.519861 O\n0.750000 0.050263 0.770218 O\n0.750000 0.397720 0.446618 O\n0.750000 0.120570 0.470175 O\n0.750000 0.742305 0.819812 O\n0.554258 0.756413 0.682687 O\n0.554258 0.256413 0.817313 O\n0.561225 0.444109 0.114988 O\n0.561225 0.944109 0.385012 O\n0.559974 0.110097 0.097627 O\n0.559974 0.610097 0.402373 O\n0.440026 0.389903 0.597627 O\n0.440026 0.889903 0.902373 O\n0.438775 0.055891 0.614988 O\n0.438775 0.555891 0.885012 O\n0.445742 0.743587 0.182687 O\n0.445742 0.243587 0.317313 O\n0.250000 0.400429 0.461341 O\n0.250000 0.379430 0.970175 O\n0.250000 0.614595 0.019861 O\n0.250000 0.900429 0.038659 O\n0.250000 0.949738 0.229782 O\n0.250000 0.449738 0.270218 O\n0.250000 0.757695 0.319812 O\n0.250000 0.257695 0.180188 O\n0.250000 0.879430 0.529825 O\n0.250000 0.602280 0.553382 O\n0.250000 0.114595 0.480139 O\n0.250000 0.102280 0.946618 O\n0.054258 0.743587 0.182687 O\n0.054258 0.243587 0.317313 O\n0.061225 0.555891 0.885012 O\n0.061225 0.055891 0.614988 O\n0.059974 0.389903 0.597627 O\n0.059974 0.889903 0.902373 O\n",
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"density": 3.1762131900055595,
"density_atomic": 0.07477455537385662,
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"formula_full": "Li4 Mn16 P12 O48",
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"updated_at": "2021-11-28T01:37:34.215000Z",
"spacegroup": 62
},
{
"id": "mp-761217",
"created_at": "2022-09-04T14:46:18.148039Z",
"structure_string": "Na36 Mn12 O36\n1.0\n5.659600 -6.052843 0.000000\n5.659600 6.052843 0.000000\n0.000000 0.000000 16.937416\nNa Mn O\n36 12 36\ndirect\n0.028235 0.387661 0.571182 Na\n0.387661 0.028235 0.428818 Na\n0.182655 0.241908 0.086633 Na\n0.241908 0.182655 0.913367 Na\n0.330225 0.169775 0.250000 Na\n0.169775 0.330225 0.750000 Na\n0.258092 0.317345 0.413367 Na\n0.317345 0.258092 0.586633 Na\n0.112339 0.471765 0.928818 Na\n0.471765 0.112339 0.071182 Na\n0.155624 0.511770 0.190802 Na\n0.655624 0.011770 0.309198 Na\n0.011770 0.655624 0.690802 Na\n0.511770 0.155624 0.809198 Na\n0.973206 0.026794 0.224084 Na\n0.673400 0.326600 0.224786 Na\n0.826600 0.173400 0.724786 Na\n0.473206 0.526794 0.275916 Na\n0.326600 0.673400 0.775214 Na\n0.026794 0.973206 0.775916 Na\n0.526794 0.473206 0.724084 Na\n0.173400 0.826600 0.275214 Na\n0.988230 0.344376 0.309198 Na\n0.344376 0.988230 0.690802 Na\n0.844376 0.488230 0.809198 Na\n0.488230 0.844376 0.190802 Na\n0.887661 0.528235 0.071182 Na\n0.528235 0.887661 0.928818 Na\n0.682655 0.741908 0.413367 Na\n0.741908 0.682655 0.586633 Na\n0.830225 0.669775 0.250000 Na\n0.669775 0.830225 0.750000 Na\n0.758092 0.817345 0.086633 Na\n0.817345 0.758092 0.913367 Na\n0.971765 0.612339 0.428818 Na\n0.612339 0.971765 0.571182 Na\n0.827156 0.172844 0.092283 Mn\n0.998489 0.001511 0.414242 Mn\n0.001511 0.998489 0.585758 Mn\n0.672844 0.327156 0.592283 Mn\n0.652685 0.347315 0.420305 Mn\n0.327156 0.672844 0.407717 Mn\n0.847315 0.152685 0.920305 Mn\n0.498489 0.501511 0.085758 Mn\n0.347315 0.652685 0.579695 Mn\n0.501511 0.498489 0.914242 Mn\n0.172844 0.827156 0.907717 Mn\n0.152685 0.847315 0.079695 Mn\n0.117056 0.117056 0.500000 O\n0.125638 0.114672 0.337538 O\n0.114672 0.125638 0.662462 O\n0.197153 0.555994 0.331293 O\n0.055994 0.697153 0.831293 O\n0.697153 0.055994 0.168707 O\n0.555994 0.197153 0.668707 O\n0.518567 0.239006 0.344918 O\n0.239006 0.518567 0.655082 O\n0.739006 0.018567 0.844918 O\n0.018567 0.739006 0.155082 O\n0.385328 0.374362 0.162462 O\n0.374362 0.385328 0.837538 O\n0.382944 0.382944 0.000000 O\n0.047054 0.723028 0.992868 O\n0.223028 0.547054 0.492868 O\n0.723028 0.047054 0.007132 O\n0.547054 0.223028 0.507132 O\n0.452946 0.776972 0.492868 O\n0.776972 0.452946 0.507132 O\n0.952946 0.276972 0.007132 O\n0.276972 0.952946 0.992868 O\n0.617056 0.617056 0.000000 O\n0.614672 0.625638 0.837538 O\n0.625638 0.614672 0.162462 O\n0.981433 0.260994 0.844918 O\n0.760994 0.481433 0.344918 O\n0.260994 0.981433 0.155082 O\n0.481433 0.760994 0.655082 O\n0.944006 0.302847 0.168707 O\n0.802847 0.444006 0.668707 O\n0.444006 0.802847 0.331293 O\n0.302847 0.944006 0.831293 O\n0.885328 0.874362 0.337538 O\n0.874362 0.885328 0.662462 O\n0.882944 0.882944 0.500000 O\n",
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"formula_full": "Na36 Mn12 O36",
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},
{
"id": "mp-1201611",
"created_at": "2022-09-04T14:46:18.154129Z",
"structure_string": "Np3 Cd33\n1.0\n9.449006 0.000000 0.000000\n0.000000 9.449006 0.000000\n0.000000 0.000000 9.449006\nNp Cd\n3 33\ndirect\n0.000000 0.000000 0.500000 Np\n0.000000 0.500000 0.000000 Np\n0.500000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Cd\n0.155486 0.155486 0.844514 Cd\n0.155486 0.844514 0.155486 Cd\n0.844514 0.155486 0.155486 Cd\n0.844514 0.844514 0.844514 Cd\n0.844514 0.844514 0.155486 Cd\n0.844514 0.155486 0.844514 Cd\n0.155486 0.844514 0.844514 Cd\n0.155486 0.155486 0.155486 Cd\n0.344801 0.344801 0.000000 Cd\n0.344801 0.000000 0.655199 Cd\n0.000000 0.344801 0.655199 Cd\n0.344801 0.655199 0.000000 Cd\n0.344801 0.000000 0.344801 Cd\n0.000000 0.655199 0.344801 Cd\n0.655199 0.344801 0.000000 Cd\n0.655199 0.000000 0.344801 Cd\n0.000000 0.344801 0.344801 Cd\n0.655199 0.655199 0.000000 Cd\n0.655199 0.000000 0.655199 Cd\n0.000000 0.655199 0.655199 Cd\n0.265488 0.265488 0.500000 Cd\n0.265488 0.500000 0.734512 Cd\n0.500000 0.265488 0.734512 Cd\n0.265488 0.734512 0.500000 Cd\n0.265488 0.500000 0.265488 Cd\n0.500000 0.734512 0.265488 Cd\n0.734512 0.265488 0.500000 Cd\n0.734512 0.500000 0.265488 Cd\n0.500000 0.265488 0.265488 Cd\n0.734512 0.734512 0.500000 Cd\n0.734512 0.500000 0.734512 Cd\n0.500000 0.734512 0.734512 Cd\n",
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],
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{
"id": "mp-1106152",
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"structure_string": "Nd10 Pb6\n1.0\n4.712581 -8.162430 0.000000\n4.712581 8.162430 0.000000\n0.000000 0.000000 6.913154\nNd Pb\n10 6\ndirect\n0.666667 0.333333 0.000000 Nd\n0.333333 0.666667 0.000000 Nd\n0.333333 0.666667 0.500000 Nd\n0.666667 0.333333 0.500000 Nd\n0.759328 0.759328 0.750000 Nd\n0.240672 0.000000 0.750000 Nd\n0.000000 0.240672 0.750000 Nd\n0.240672 0.240672 0.250000 Nd\n0.759328 0.000000 0.250000 Nd\n0.000000 0.759328 0.250000 Nd\n0.392856 0.392856 0.750000 Pb\n0.607144 0.000000 0.750000 Pb\n0.000000 0.607144 0.750000 Pb\n0.607144 0.607144 0.250000 Pb\n0.392856 0.000000 0.250000 Pb\n0.000000 0.392856 0.250000 Pb\n",
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]
}