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{
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"formula_full": "La4 B20 Br4 O44",
"formula_reduced": "LaB5BrO11",
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{
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"structure_string": "Gd1 Dy1 Al4\n1.0\n0.000000 3.942796 3.942796\n3.942796 0.000000 3.942796\n3.942796 3.942796 0.000000\nGd Dy Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Dy\n0.625071 0.625071 0.124788 Al\n0.625071 0.124788 0.625071 Al\n0.124788 0.625071 0.625071 Al\n0.625071 0.625071 0.625071 Al\n",
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{
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{
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"created_at": "2022-09-04T14:40:52.148806Z",
"structure_string": "Bi4 Ir4 Se4\n1.0\n6.388197 0.000000 0.000000\n0.000000 6.388197 0.000000\n0.000000 0.000000 6.388197\nBi Ir Se\n4 4 4\ndirect\n0.130715 0.630715 0.869285 Bi\n0.630715 0.869285 0.130715 Bi\n0.869285 0.130715 0.630715 Bi\n0.369285 0.369285 0.369285 Bi\n0.485363 0.985363 0.514637 Ir\n0.985363 0.514637 0.485363 Ir\n0.514637 0.485363 0.985363 Ir\n0.014637 0.014637 0.014637 Ir\n0.879049 0.379049 0.120951 Se\n0.379049 0.120951 0.879049 Se\n0.120951 0.879049 0.379049 Se\n0.620951 0.620951 0.620951 Se\n",
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{
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"structure_string": "La4 S6 O42\n1.0\n5.271710 -9.130869 0.000000\n5.271710 9.130869 0.000000\n0.000000 0.000000 8.102304\nLa S O\n4 6 42\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.775447 0.732312 0.250000 S\n0.956865 0.224553 0.250000 S\n0.267688 0.043135 0.250000 S\n0.224553 0.267688 0.750000 S\n0.043135 0.775447 0.750000 S\n0.732312 0.956865 0.750000 S\n0.940834 0.824165 0.250000 O\n0.883331 0.059166 0.250000 O\n0.175835 0.116669 0.250000 O\n0.059166 0.175835 0.750000 O\n0.116669 0.940834 0.750000 O\n0.824165 0.883331 0.750000 O\n0.733924 0.570625 0.250000 O\n0.836701 0.266076 0.250000 O\n0.429375 0.163299 0.250000 O\n0.266076 0.429375 0.750000 O\n0.163299 0.733924 0.750000 O\n0.570625 0.836701 0.750000 O\n0.722612 0.762745 0.403927 O\n0.040133 0.277388 0.403927 O\n0.237255 0.959867 0.403927 O\n0.277388 0.237255 0.903927 O\n0.959867 0.722612 0.903927 O\n0.762745 0.040133 0.903927 O\n0.277388 0.237255 0.596073 O\n0.959867 0.722612 0.596073 O\n0.762745 0.040133 0.596073 O\n0.722612 0.762745 0.096073 O\n0.040133 0.277388 0.096073 O\n0.237255 0.959867 0.096073 O\n0.110848 0.605711 0.250000 O\n0.494863 0.889152 0.250000 O\n0.394289 0.505137 0.250000 O\n0.889152 0.394289 0.750000 O\n0.505137 0.110848 0.750000 O\n0.605711 0.494863 0.750000 O\n0.410035 0.577311 0.385868 O\n0.167277 0.589965 0.385868 O\n0.422689 0.832723 0.385868 O\n0.589965 0.422689 0.885868 O\n0.832723 0.410035 0.885868 O\n0.577311 0.167277 0.885868 O\n0.589965 0.422689 0.614132 O\n0.832723 0.410035 0.614132 O\n0.577311 0.167277 0.614132 O\n0.410035 0.577311 0.114132 O\n0.167277 0.589965 0.114132 O\n0.422689 0.832723 0.114132 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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"structure_string": "Ba2 V4 P8 O28\n1.0\n6.138691 -0.005932 -1.236427\n2.296516 12.081314 -2.650944\n0.020165 -0.004345 8.063297\nBa V P O\n2 4 8 28\ndirect\n0.999987 0.000054 0.000063 Ba\n0.500068 0.499979 0.000096 Ba\n0.533336 0.846179 0.230628 V\n0.466680 0.153796 0.769353 V\n0.033479 0.346265 0.230491 V\n0.966706 0.653691 0.769512 V\n0.949773 0.236106 0.810063 P\n0.449863 0.735973 0.810263 P\n0.550202 0.264050 0.189797 P\n0.050098 0.763948 0.189921 P\n0.357147 0.122915 0.333613 P\n0.857347 0.622688 0.333714 P\n0.142684 0.377269 0.666284 P\n0.642896 0.877053 0.666383 P\n0.601455 0.176736 0.031763 O\n0.101464 0.676679 0.032011 O\n0.898339 0.323364 0.968017 O\n0.398552 0.823254 0.968349 O\n0.418651 0.010344 0.219199 O\n0.919203 0.510199 0.219083 O\n0.081122 0.489766 0.780869 O\n0.581628 0.989728 0.780551 O\n0.773079 0.165118 0.739548 O\n0.273089 0.665069 0.739520 O\n0.726940 0.334992 0.260428 O\n0.226792 0.834944 0.260280 O\n0.541383 0.197354 0.338271 O\n0.041376 0.697217 0.338437 O\n0.958483 0.302859 0.661605 O\n0.458435 0.802784 0.661902 O\n0.356642 0.116786 0.518457 O\n0.856541 0.616349 0.518496 O\n0.143474 0.383578 0.481532 O\n0.643233 0.882970 0.481464 O\n0.365506 0.320527 0.758701 O\n0.865754 0.820206 0.758581 O\n0.134216 0.179782 0.241476 O\n0.634436 0.679377 0.241222 O\n0.325672 0.343455 0.157638 O\n0.825513 0.843378 0.158012 O\n0.174361 0.156672 0.842087 O\n0.674394 0.656550 0.842322 O\n",
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{
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]
}