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{
"id": "mp-1091416",
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{
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"structure_string": "Sr12 Cu12 Te24 O72\n1.0\n12.629583 0.000000 0.000000\n0.000000 12.629583 0.000000\n0.000000 0.000000 12.629583\nSr Cu Te O\n12 12 24 72\ndirect\n0.695558 0.695558 0.695558 Sr\n0.804442 0.304442 0.195558 Sr\n0.445558 0.945558 0.554442 Sr\n0.945558 0.554442 0.445558 Sr\n0.554442 0.445558 0.945558 Sr\n0.125000 0.375000 0.625000 Sr\n0.054442 0.054442 0.054442 Sr\n0.304442 0.195558 0.804442 Sr\n0.375000 0.625000 0.125000 Sr\n0.625000 0.125000 0.375000 Sr\n0.875000 0.875000 0.875000 Sr\n0.195558 0.804442 0.304442 Sr\n0.774117 0.024117 0.125000 Cu\n0.524117 0.375000 0.225883 Cu\n0.475883 0.875000 0.274117 Cu\n0.024117 0.125000 0.774117 Cu\n0.975883 0.625000 0.725883 Cu\n0.274117 0.475883 0.875000 Cu\n0.375000 0.225883 0.524117 Cu\n0.625000 0.725883 0.975883 Cu\n0.225883 0.524117 0.375000 Cu\n0.725883 0.975883 0.625000 Cu\n0.125000 0.774117 0.024117 Cu\n0.875000 0.274117 0.475883 Cu\n0.579132 0.939398 0.837481 Te\n0.939398 0.837481 0.579132 Te\n0.587481 0.189398 0.670868 Te\n0.560602 0.162519 0.079132 Te\n0.829132 0.412519 0.689398 Te\n0.837481 0.579132 0.939398 Te\n0.079132 0.560602 0.162519 Te\n0.912519 0.810602 0.170868 Te\n0.670868 0.587481 0.189398 Te\n0.420868 0.439398 0.662519 Te\n0.412519 0.689398 0.829132 Te\n0.439398 0.662519 0.420868 Te\n0.920868 0.060602 0.337481 Te\n0.060602 0.337481 0.920868 Te\n0.689398 0.829132 0.412519 Te\n0.310602 0.329132 0.087481 Te\n0.162519 0.079132 0.560602 Te\n0.337481 0.920868 0.060602 Te\n0.810602 0.170868 0.912519 Te\n0.662519 0.420868 0.439398 Te\n0.189398 0.670868 0.587481 Te\n0.170868 0.912519 0.810602 Te\n0.329132 0.087481 0.310602 Te\n0.087481 0.310602 0.329132 Te\n0.772237 0.936855 0.484154 O\n0.378361 0.577905 0.929296 O\n0.131112 0.221280 0.980217 O\n0.621639 0.077905 0.570704 O\n0.813145 0.977763 0.265846 O\n0.871639 0.679296 0.827905 O\n0.929296 0.378361 0.577905 O\n0.368888 0.778720 0.480217 O\n0.922095 0.070704 0.878361 O\n0.429296 0.121639 0.422095 O\n0.769783 0.528720 0.618888 O\n0.734154 0.313145 0.522237 O\n0.118888 0.730217 0.471280 O\n0.265846 0.813145 0.977763 O\n0.528720 0.618888 0.769783 O\n0.868888 0.721280 0.519783 O\n0.381112 0.269783 0.971280 O\n0.936855 0.484154 0.772237 O\n0.186855 0.477763 0.234154 O\n0.278720 0.019783 0.631112 O\n0.977763 0.265846 0.813145 O\n0.730217 0.471280 0.118888 O\n0.577905 0.929296 0.378361 O\n0.422095 0.429296 0.121639 O\n0.234154 0.186855 0.477763 O\n0.371639 0.820704 0.172095 O\n0.563145 0.515846 0.272237 O\n0.230217 0.028720 0.881112 O\n0.063145 0.984154 0.727763 O\n0.172095 0.371639 0.820704 O\n0.022237 0.765846 0.686855 O\n0.121639 0.422095 0.429296 O\n0.221280 0.980217 0.131112 O\n0.272237 0.563145 0.515846 O\n0.721280 0.519783 0.868888 O\n0.269783 0.971280 0.381112 O\n0.778720 0.480217 0.368888 O\n0.070704 0.878361 0.922095 O\n0.019783 0.631112 0.278720 O\n0.313145 0.522237 0.734154 O\n0.980217 0.131112 0.221280 O\n0.028720 0.881112 0.230217 O\n0.179296 0.672095 0.128361 O\n0.727763 0.063145 0.984154 O\n0.436855 0.015846 0.227763 O\n0.686855 0.022237 0.765846 O\n0.522237 0.734154 0.313145 O\n0.618888 0.769783 0.528720 O\n0.227763 0.436855 0.015846 O\n0.327905 0.628361 0.320704 O\n0.015846 0.227763 0.436855 O\n0.320704 0.327905 0.628361 O\n0.077905 0.570704 0.621639 O\n0.477763 0.234154 0.186855 O\n0.631112 0.278720 0.019783 O\n0.820704 0.172095 0.371639 O\n0.672095 0.128361 0.179296 O\n0.628361 0.320704 0.327905 O\n0.519783 0.868888 0.721280 O\n0.570704 0.621639 0.077905 O\n0.471280 0.118888 0.730217 O\n0.971280 0.381112 0.269783 O\n0.679296 0.827905 0.871639 O\n0.984154 0.727763 0.063145 O\n0.878361 0.922095 0.070704 O\n0.881112 0.230217 0.028720 O\n0.827905 0.871639 0.679296 O\n0.515846 0.272237 0.563145 O\n0.480217 0.368888 0.778720 O\n0.128361 0.179296 0.672095 O\n0.484154 0.772237 0.936855 O\n0.765846 0.686855 0.022237 O\n",
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"formula_full": "Sr12 Cu12 Te24 O72",
"formula_reduced": "SrCu(TeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -720.71302058,
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"spacegroup": 213
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{
"id": "mp-17687",
"created_at": "2022-09-04T14:42:08.570821Z",
"structure_string": "Sr4 Dy8 Cu4 O20\n1.0\n5.642973 0.000000 0.000000\n0.000000 7.181303 0.000000\n0.000000 0.000000 12.088958\nSr Dy Cu O\n4 8 4 20\ndirect\n0.750000 0.082079 0.086568 Sr\n0.750000 0.417921 0.586568 Sr\n0.250000 0.582079 0.413432 Sr\n0.250000 0.917921 0.913432 Sr\n0.250000 0.394416 0.073234 Dy\n0.750000 0.613007 0.213600 Dy\n0.750000 0.886993 0.713600 Dy\n0.250000 0.113007 0.286400 Dy\n0.750000 0.605584 0.926766 Dy\n0.750000 0.894416 0.426766 Dy\n0.250000 0.105584 0.573234 Dy\n0.250000 0.386993 0.786400 Dy\n0.250000 0.778869 0.163256 Cu\n0.750000 0.221131 0.836744 Cu\n0.750000 0.278869 0.336744 Cu\n0.250000 0.721131 0.663256 Cu\n0.250000 0.425538 0.594194 O\n0.750000 0.574462 0.405806 O\n0.750000 0.925538 0.905806 O\n0.250000 0.074462 0.094194 O\n0.006135 0.848496 0.276443 O\n0.506135 0.151504 0.723557 O\n0.993865 0.348496 0.223557 O\n0.493865 0.651504 0.776443 O\n0.993865 0.151504 0.723557 O\n0.493865 0.848496 0.276443 O\n0.006135 0.651504 0.776443 O\n0.506135 0.348496 0.223557 O\n0.492333 0.664084 0.067030 O\n0.992333 0.335916 0.932970 O\n0.507667 0.164084 0.432970 O\n0.007667 0.835916 0.567030 O\n0.992333 0.164084 0.432970 O\n0.492333 0.835916 0.567030 O\n0.007667 0.664084 0.067030 O\n0.507667 0.335916 0.932970 O\n",
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"formula_full": "Sr4 Dy8 Cu4 O20",
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{
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"created_at": "2022-09-04T14:43:52.422627Z",
"structure_string": "Sr1 Dy2 Fe2 O7\n1.0\n-1.899408 1.899408 10.086701\n1.899408 -1.899408 10.086701\n1.899408 1.899408 -10.086701\nSr Dy Fe O\n1 2 2 7\ndirect\n0.688205 0.688205 0.000000 Sr\n0.321678 0.321678 0.000000 Dy\n0.509364 0.509364 0.000000 Dy\n0.901277 0.901277 0.000000 Fe\n0.100723 0.100723 0.000000 Fe\n0.803443 0.803443 0.000000 O\n0.206987 0.206987 0.000000 O\n0.896992 0.396992 0.500000 O\n0.396992 0.896992 0.500000 O\n0.088677 0.588677 0.500000 O\n0.588677 0.088677 0.500000 O\n0.996985 0.996985 0.000000 O\n",
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{
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{
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{
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{
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"structure_string": "Sr2 Dy2 Co2 O8\n1.0\n2.661123 -6.135906 0.000000\n2.661123 6.135906 0.000000\n0.000000 0.000000 5.369447\nSr Dy Co O\n2 2 2 8\ndirect\n0.603602 0.396398 0.250000 Sr\n0.396398 0.603602 0.750000 Sr\n0.113931 0.886069 0.750000 Dy\n0.886069 0.113931 0.250000 Dy\n0.250031 0.749969 0.250000 Co\n0.749969 0.250031 0.750000 Co\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.933551 0.066449 0.750000 O\n0.410177 0.589823 0.250000 O\n0.066449 0.933551 0.250000 O\n0.589823 0.410177 0.750000 O\n",
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{
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{
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