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{
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{
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"formula_full": "Gd2 Ho2 Al12",
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{
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"structure_string": "Ti18 Co4 B16 Ru36\n1.0\n17.610154 0.000000 0.000000\n0.000000 17.610154 0.000000\n0.000000 0.000000 2.992357\nTi Co B Ru\n18 4 16 36\ndirect\n0.803657 0.303657 0.500000 Ti\n0.196343 0.696343 0.500000 Ti\n0.303657 0.196343 0.500000 Ti\n0.696343 0.803657 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.685827 0.534869 0.500000 Ti\n0.314173 0.465131 0.500000 Ti\n0.185827 0.965131 0.500000 Ti\n0.814173 0.034869 0.500000 Ti\n0.465131 0.685827 0.500000 Ti\n0.534869 0.314173 0.500000 Ti\n0.034869 0.185827 0.500000 Ti\n0.965131 0.814173 0.500000 Ti\n0.828077 0.671923 0.500000 Ti\n0.171923 0.328077 0.500000 Ti\n0.328077 0.828077 0.500000 Ti\n0.671923 0.171923 0.500000 Ti\n0.951098 0.548902 0.500000 Co\n0.048902 0.451098 0.500000 Co\n0.451098 0.951098 0.500000 Co\n0.548902 0.048902 0.500000 Co\n0.670012 0.378784 0.500000 B\n0.329988 0.621216 0.500000 B\n0.170012 0.121216 0.500000 B\n0.829988 0.878784 0.500000 B\n0.621216 0.670012 0.500000 B\n0.378784 0.329988 0.500000 B\n0.878784 0.170012 0.500000 B\n0.121216 0.829988 0.500000 B\n0.836563 0.462694 0.500000 B\n0.163437 0.537306 0.500000 B\n0.336563 0.037306 0.500000 B\n0.663437 0.962694 0.500000 B\n0.537306 0.836563 0.500000 B\n0.462694 0.163437 0.500000 B\n0.962694 0.336563 0.500000 B\n0.037306 0.663437 0.500000 B\n0.754776 0.419322 0.000000 Ru\n0.245224 0.580678 0.000000 Ru\n0.254776 0.080678 0.000000 Ru\n0.745224 0.919322 0.000000 Ru\n0.580678 0.754776 0.000000 Ru\n0.419322 0.245224 0.000000 Ru\n0.919322 0.254776 0.000000 Ru\n0.080678 0.745224 0.000000 Ru\n0.918740 0.418740 0.000000 Ru\n0.081260 0.581260 0.000000 Ru\n0.418740 0.081260 0.000000 Ru\n0.581260 0.918740 0.000000 Ru\n0.832228 0.551347 0.000000 Ru\n0.167772 0.448653 0.000000 Ru\n0.332228 0.948653 0.000000 Ru\n0.667772 0.051347 0.000000 Ru\n0.448653 0.832228 0.000000 Ru\n0.551347 0.167772 0.000000 Ru\n0.051347 0.332228 0.000000 Ru\n0.948653 0.667772 0.000000 Ru\n0.667868 0.288920 0.000000 Ru\n0.332132 0.711080 0.000000 Ru\n0.167868 0.211080 0.000000 Ru\n0.832132 0.788920 0.000000 Ru\n0.711080 0.667868 0.000000 Ru\n0.288920 0.332132 0.000000 Ru\n0.788920 0.167868 0.000000 Ru\n0.211080 0.832132 0.000000 Ru\n0.597781 0.430264 0.000000 Ru\n0.402219 0.569736 0.000000 Ru\n0.097781 0.069736 0.000000 Ru\n0.902219 0.930264 0.000000 Ru\n0.569736 0.597781 0.000000 Ru\n0.430264 0.402219 0.000000 Ru\n0.930264 0.097781 0.000000 Ru\n0.069736 0.902219 0.000000 Ru\n",
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{
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"created_at": "2022-09-04T14:40:54.609775Z",
"structure_string": "Na1 Sr1 Dy1 Fe1 O6\n1.0\n0.000000 -4.061984 -4.061984\n4.061984 -0.000000 -4.061984\n4.061984 -4.061984 0.000000\nNa Sr Dy Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.729752 0.270248 0.270248 O\n0.270248 0.729752 0.729752 O\n0.729752 0.270248 0.729752 O\n0.270248 0.729752 0.270248 O\n0.729752 0.729752 0.270248 O\n0.270248 0.270248 0.729752 O\n",
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{
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"structure_string": "Zr6 B1 Cl18 O24\n1.0\n-6.992548 6.992548 6.992548\n6.992548 -6.992548 6.992548\n6.992548 6.992548 -6.992548\nZr B Cl O\n6 1 18 24\ndirect\n0.180204 0.000000 0.180204 Zr\n0.000000 0.180204 0.180204 Zr\n0.819796 0.819796 0.000000 Zr\n0.819796 0.000000 0.819796 Zr\n0.180204 0.180204 0.000000 Zr\n0.000000 0.819796 0.819796 Zr\n0.000000 0.000000 0.000000 B\n0.000000 0.818242 0.181758 Cl\n0.181758 0.181758 0.363516 Cl\n0.818242 0.000000 0.181758 Cl\n0.000000 0.181758 0.818242 Cl\n0.818242 0.181758 0.000000 Cl\n0.181758 0.363516 0.181758 Cl\n0.363516 0.181758 0.181758 Cl\n0.181758 0.818242 0.000000 Cl\n0.181758 0.000000 0.818242 Cl\n0.636484 0.818242 0.818242 Cl\n0.818242 0.818242 0.636484 Cl\n0.818242 0.636484 0.818242 Cl\n0.351271 0.000000 0.351271 Cl\n0.000000 0.351271 0.351271 Cl\n0.648729 0.648729 0.000000 Cl\n0.648729 0.000000 0.648729 Cl\n0.351271 0.351271 0.000000 Cl\n0.000000 0.648729 0.648729 Cl\n0.303348 0.000000 0.608470 O\n0.000000 0.303348 0.608470 O\n0.696652 0.696652 0.305122 O\n0.696652 0.305122 0.696652 O\n0.000000 0.608470 0.303348 O\n0.303348 0.608470 0.000000 O\n0.608470 0.000000 0.303348 O\n0.305122 0.696652 0.696652 O\n0.608470 0.303348 0.000000 O\n0.391530 0.694878 0.391530 O\n0.694878 0.391530 0.391530 O\n0.391530 0.391530 0.694878 O\n0.696652 0.000000 0.391530 O\n0.000000 0.696652 0.391530 O\n0.303348 0.303348 0.694878 O\n0.303348 0.694878 0.303348 O\n0.000000 0.391530 0.696652 O\n0.696652 0.391530 0.000000 O\n0.391530 0.000000 0.696652 O\n0.694878 0.303348 0.303348 O\n0.391530 0.696652 0.000000 O\n0.608470 0.305122 0.608470 O\n0.305122 0.608470 0.608470 O\n0.608470 0.608470 0.305122 O\n",
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{
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