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{
"id": "mp-1185584",
"created_at": "2022-09-04T14:47:18.558068Z",
"structure_string": "Mg149 Cl1\n1.0\n13.781632 -7.956849 0.000000\n0.000000 15.913698 0.000000\n0.000000 0.000000 15.613468\nMg Cl\n149 1\ndirect\n0.202604 0.000880 0.000000 Mg\n0.798276 0.000881 0.000000 Mg\n0.799759 0.200241 0.000000 Mg\n0.400483 0.200241 0.000000 Mg\n0.600412 0.200824 0.000000 Mg\n0.999118 0.201723 -0.000000 Mg\n0.202604 0.201724 0.000000 Mg\n0.199932 0.399865 0.000000 Mg\n0.600412 0.399588 -0.000000 Mg\n0.799176 0.399588 -0.000000 Mg\n0.400802 0.401259 -0.000000 Mg\n0.000457 0.401259 0.000000 Mg\n0.598741 0.599198 -0.000000 Mg\n0.000457 0.599198 0.000000 Mg\n0.799759 0.599518 0.000000 Mg\n0.200962 0.600481 0.000000 Mg\n0.399520 0.600482 0.000000 Mg\n0.999118 0.797395 -0.000000 Mg\n0.798276 0.797395 -0.000000 Mg\n0.399520 0.799038 0.000000 Mg\n0.199932 0.800068 -0.000000 Mg\n0.600135 0.800068 0.000000 Mg\n0.598741 0.999543 -0.000000 Mg\n0.400802 0.999543 -0.000000 Mg\n0.666667 0.333333 0.166043 Mg\n0.667031 0.133351 0.166264 Mg\n0.466320 0.133351 0.166264 Mg\n0.466320 0.332969 0.166264 Mg\n0.866649 0.332969 0.166264 Mg\n0.866649 0.533680 0.166264 Mg\n0.667031 0.533680 0.166264 Mg\n0.266552 0.533103 0.166388 Mg\n0.266552 0.733448 0.166388 Mg\n0.466897 0.733448 0.166388 Mg\n0.066711 0.333149 0.166506 Mg\n0.266439 0.333150 0.166506 Mg\n0.666850 0.733561 0.166506 Mg\n0.066711 0.733561 0.166506 Mg\n0.666850 0.933289 0.166506 Mg\n0.266439 0.933289 0.166506 Mg\n0.265825 0.132912 0.166799 Mg\n0.867088 0.132913 0.166799 Mg\n0.867088 0.734175 0.166799 Mg\n0.466500 0.533500 0.166847 Mg\n0.067001 0.533501 0.166847 Mg\n0.466500 0.932999 0.166847 Mg\n0.066939 0.133878 0.168348 Mg\n0.866122 0.933061 0.168348 Mg\n0.066939 0.933061 0.168348 Mg\n0.000000 0.000000 0.331717 Mg\n0.399818 0.199909 0.332763 Mg\n0.800091 0.199909 0.332763 Mg\n0.800091 0.600182 0.332763 Mg\n0.600129 0.200258 0.332889 Mg\n0.600129 0.399870 0.332889 Mg\n0.799742 0.399871 0.332889 Mg\n0.199973 0.399947 0.332869 Mg\n0.199973 0.800027 0.332869 Mg\n0.600053 0.800027 0.332869 Mg\n0.399914 0.600086 0.333171 Mg\n0.200173 0.600087 0.333171 Mg\n0.399914 0.799828 0.333171 Mg\n0.400250 0.999980 0.333453 Mg\n0.599731 0.999981 0.333453 Mg\n0.000020 0.400269 0.333453 Mg\n0.400250 0.400269 0.333453 Mg\n0.599731 0.599750 0.333453 Mg\n0.000020 0.599751 0.333453 Mg\n0.200362 0.999971 0.334119 Mg\n0.799610 0.999971 0.334119 Mg\n0.000029 0.200390 0.334119 Mg\n0.200362 0.200390 0.334119 Mg\n0.799610 0.799638 0.334119 Mg\n0.000029 0.799639 0.334119 Mg\n0.066513 0.133025 0.500000 Mg\n0.866491 0.133509 0.500000 Mg\n0.267017 0.133509 0.500000 Mg\n0.666758 0.133464 0.500000 Mg\n0.466706 0.133464 0.500000 Mg\n0.866536 0.333242 0.500000 Mg\n0.466706 0.333242 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.067079 0.333593 0.500000 Mg\n0.266514 0.333593 0.500000 Mg\n0.866536 0.533294 0.500000 Mg\n0.666758 0.533294 0.500000 Mg\n0.466676 0.533324 0.500000 Mg\n0.066648 0.533324 0.500000 Mg\n0.266616 0.533231 0.500000 Mg\n0.866491 0.732982 0.500000 Mg\n0.266616 0.733384 0.500000 Mg\n0.466768 0.733384 0.500000 Mg\n0.666407 0.733485 0.500000 Mg\n0.067079 0.733486 0.500000 Mg\n0.266514 0.932921 0.500000 Mg\n0.666407 0.932921 0.500000 Mg\n0.466676 0.933352 0.500000 Mg\n0.066513 0.933487 0.500000 Mg\n0.866975 0.933488 0.500000 Mg\n0.200362 0.999971 0.665881 Mg\n0.799610 0.999971 0.665881 Mg\n0.000029 0.200390 0.665881 Mg\n0.200362 0.200390 0.665881 Mg\n0.799610 0.799638 0.665881 Mg\n0.000029 0.799639 0.665881 Mg\n0.400250 0.999980 0.666547 Mg\n0.599731 0.999981 0.666547 Mg\n0.000020 0.400269 0.666547 Mg\n0.400250 0.400269 0.666547 Mg\n0.599731 0.599750 0.666547 Mg\n0.000020 0.599751 0.666547 Mg\n0.399914 0.600086 0.666829 Mg\n0.200173 0.600087 0.666829 Mg\n0.399914 0.799828 0.666829 Mg\n0.199973 0.399947 0.667130 Mg\n0.199973 0.800027 0.667130 Mg\n0.600053 0.800027 0.667130 Mg\n0.600129 0.200258 0.667112 Mg\n0.600129 0.399870 0.667112 Mg\n0.799742 0.399871 0.667112 Mg\n0.399818 0.199909 0.667237 Mg\n0.800091 0.199909 0.667237 Mg\n0.800091 0.600182 0.667237 Mg\n0.000000 0.000000 0.668283 Mg\n0.066939 0.133878 0.831652 Mg\n0.866122 0.933061 0.831652 Mg\n0.066939 0.933061 0.831652 Mg\n0.466500 0.533500 0.833153 Mg\n0.067001 0.533501 0.833153 Mg\n0.466500 0.932999 0.833153 Mg\n0.265825 0.132912 0.833200 Mg\n0.867088 0.132913 0.833200 Mg\n0.867088 0.734175 0.833200 Mg\n0.066711 0.333149 0.833494 Mg\n0.266439 0.333150 0.833494 Mg\n0.666850 0.733561 0.833494 Mg\n0.066711 0.733561 0.833494 Mg\n0.666850 0.933289 0.833494 Mg\n0.266439 0.933289 0.833494 Mg\n0.266552 0.533103 0.833612 Mg\n0.266552 0.733448 0.833612 Mg\n0.466897 0.733448 0.833612 Mg\n0.667031 0.133351 0.833736 Mg\n0.466320 0.133351 0.833736 Mg\n0.466320 0.332969 0.833736 Mg\n0.866649 0.332969 0.833736 Mg\n0.866649 0.533680 0.833736 Mg\n0.667031 0.533680 0.833736 Mg\n0.666667 0.333333 0.833957 Mg\n-0.000001 -0.000000 0.000000 Cl\n",
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"elements": [
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"chemical_system": "Cl-Mg",
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"formula_full": "Mg149 Cl1",
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"spacegroup": 187
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{
"id": "mp-867356",
"created_at": "2022-09-04T14:47:24.097286Z",
"structure_string": "Tc2 Ru6\n1.0\n2.737706 -4.741847 0.000000\n2.737706 4.741847 0.000000\n0.000000 0.000000 4.330068\nTc Ru\n2 6\ndirect\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n0.167263 0.334527 0.250000 Ru\n0.665473 0.832737 0.250000 Ru\n0.167263 0.832737 0.250000 Ru\n0.832737 0.665473 0.750000 Ru\n0.334527 0.167263 0.750000 Ru\n0.832737 0.167263 0.750000 Ru\n",
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{
"id": "mp-1245055",
"created_at": "2022-09-04T14:47:13.395378Z",
"structure_string": "Al40 O60\n1.0\n10.008200 -0.442973 -0.121157\n-0.439796 10.107508 -0.299202\n-0.125461 -0.302644 10.431133\nAl O\n40 60\ndirect\n0.753791 0.587847 0.516274 Al\n0.693304 0.814512 0.384134 Al\n0.487689 0.837278 0.769622 Al\n0.843748 0.563833 0.003867 Al\n0.865986 0.312261 0.106527 Al\n0.286859 0.864016 0.596252 Al\n0.197778 0.538849 0.549936 Al\n0.985058 0.270884 0.565588 Al\n0.401587 0.438249 0.238852 Al\n0.804983 0.338156 0.827072 Al\n0.462042 0.657441 0.484461 Al\n0.267640 0.535204 0.844990 Al\n0.683282 0.304244 0.443904 Al\n0.787358 0.054090 0.585212 Al\n0.719337 0.069955 0.949509 Al\n0.974547 0.836003 0.639534 Al\n0.319267 0.135542 0.120306 Al\n0.013032 0.058847 0.807918 Al\n0.600188 0.542047 0.766116 Al\n0.496486 0.061103 0.430108 Al\n0.564496 0.124021 0.740129 Al\n0.115369 0.567923 0.171264 Al\n0.968876 0.559350 0.722534 Al\n0.168521 0.758610 0.349289 Al\n0.367743 0.650922 0.099187 Al\n0.363245 0.327995 0.512135 Al\n0.023783 0.093019 0.081190 Al\n0.581388 0.225093 0.178651 Al\n0.783592 0.791840 0.810673 Al\n0.142714 0.021439 0.437505 Al\n0.783586 0.043210 0.266205 Al\n0.636943 0.554864 0.194329 Al\n0.472369 0.937791 0.168212 Al\n0.466790 0.382461 0.937908 Al\n0.209092 0.917533 0.913761 Al\n0.688453 0.827591 0.075720 Al\n0.120335 0.297746 0.313739 Al\n0.276076 0.233797 0.787166 Al\n0.995889 0.826723 0.158839 Al\n0.889219 0.525187 0.300182 Al\n0.831314 0.879980 0.193961 O\n0.162195 0.184528 0.163552 O\n0.732906 0.172959 0.794102 O\n0.037599 0.880160 0.799768 O\n0.511005 0.246649 0.490544 O\n0.925986 0.387325 0.706892 O\n0.081892 0.410074 0.483862 O\n0.321596 0.997470 0.476972 O\n0.704188 0.228464 0.048767 O\n0.918292 0.662850 0.595040 O\n0.437735 0.260443 0.070386 O\n0.970530 0.115432 0.657590 O\n0.066815 0.168276 0.420809 O\n0.789098 0.464319 0.159351 O\n0.270932 0.671494 0.954620 O\n0.815871 0.895920 0.675111 O\n0.677041 0.170666 0.316157 O\n0.911050 0.401928 0.962774 O\n0.661628 0.485774 0.619661 O\n0.110596 0.898267 0.554756 O\n0.432497 0.097651 0.251157 O\n0.927396 0.124378 0.942088 O\n0.506296 0.780772 0.099630 O\n0.775476 0.899651 0.943959 O\n0.640536 0.712774 0.510772 O\n0.336289 0.975549 0.045340 O\n0.868243 0.639211 0.840817 O\n0.255227 0.369793 0.895856 O\n0.245774 0.728845 0.204505 O\n0.185451 0.096595 0.859691 O\n0.641325 0.003496 0.116737 O\n0.372281 0.506780 0.546781 O\n0.571356 0.384143 0.271014 O\n0.011046 0.400354 0.219444 O\n0.807213 0.221575 0.529196 O\n0.903888 0.153669 0.188402 O\n0.073052 0.931048 0.045634 O\n0.244503 0.701906 0.487446 O\n0.471804 0.603869 0.314952 O\n0.090400 0.902079 0.306133 O\n0.548944 0.905398 0.337217 O\n0.454751 0.234123 0.806447 O\n0.260013 0.489229 0.152664 O\n0.665702 0.433471 0.877568 O\n0.443867 0.793354 0.604803 O\n0.488779 0.511443 0.080844 O\n0.150261 0.570651 0.714997 O\n0.715537 0.659012 0.062108 O\n0.613714 0.721209 0.793171 O\n0.760315 0.657652 0.319503 O\n0.309651 0.876215 0.773939 O\n0.596933 0.045853 0.585948 O\n0.804725 0.445962 0.424500 O\n0.437405 0.510525 0.813323 O\n0.250844 0.257924 0.623675 O\n0.039503 0.629739 0.325482 O\n0.563122 0.989252 0.843894 O\n0.991556 0.656104 0.087954 O\n0.299060 0.335999 0.347619 O\n0.802581 0.963367 0.426383 O\n",
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{
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"structure_string": "Zr4 Pd12\n1.0\n2.856032 -4.946792 0.000000\n2.856032 4.946792 0.000000\n0.000000 0.000000 9.359753\nZr Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.830330 0.169670 0.250000 Pd\n0.830330 0.660659 0.250000 Pd\n0.339341 0.169670 0.250000 Pd\n0.169670 0.830330 0.750000 Pd\n0.169670 0.339341 0.750000 Pd\n0.660659 0.830330 0.750000 Pd\n",
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{
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"structure_string": "Si12 Ni31\n1.0\n3.324662 -5.758483 0.000000\n3.324662 5.758483 0.000000\n0.000000 0.000000 12.279136\nSi Ni\n12 31\ndirect\n0.000000 0.000000 0.709594 Si\n0.000000 0.000000 0.290406 Si\n0.666667 0.333333 0.724603 Si\n0.333333 0.666667 0.275397 Si\n0.666667 0.333333 0.226721 Si\n0.333333 0.666667 0.773279 Si\n0.680719 0.000000 0.000000 Si\n0.319281 0.319281 0.000000 Si\n0.000000 0.680719 0.000000 Si\n0.350524 0.000000 0.500000 Si\n0.649476 0.649476 0.500000 Si\n0.000000 0.350524 0.500000 Si\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.903459 Ni\n0.000000 0.000000 0.096541 Ni\n0.666667 0.333333 0.927149 Ni\n0.333333 0.666667 0.072851 Ni\n0.666667 0.333333 0.433154 Ni\n0.333333 0.666667 0.566846 Ni\n0.332959 0.920284 0.904615 Ni\n0.587324 0.667041 0.904615 Ni\n0.079716 0.412676 0.904615 Ni\n0.667041 0.587324 0.095385 Ni\n0.920284 0.332959 0.095385 Ni\n0.412676 0.079716 0.095385 Ni\n0.701955 0.037385 0.802144 Ni\n0.335430 0.298045 0.802144 Ni\n0.962615 0.664570 0.802144 Ni\n0.298045 0.335430 0.197856 Ni\n0.037385 0.701955 0.197856 Ni\n0.664570 0.962615 0.197856 Ni\n0.322003 0.964979 0.694531 Ni\n0.642976 0.677997 0.694531 Ni\n0.035021 0.357024 0.694531 Ni\n0.677997 0.642976 0.305469 Ni\n0.964979 0.322003 0.305469 Ni\n0.357024 0.035021 0.305469 Ni\n0.691290 0.063077 0.596049 Ni\n0.371786 0.308710 0.596049 Ni\n0.936923 0.628214 0.596049 Ni\n0.308710 0.371786 0.403951 Ni\n0.063077 0.691290 0.403951 Ni\n0.628214 0.936923 0.403951 Ni\n",
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{
"id": "mp-1106322",
"created_at": "2022-09-04T14:47:19.148851Z",
"structure_string": "Lu10 Tl6\n1.0\n0.000000 0.000000 -6.547407\n0.000000 -8.812312 0.000000\n-7.654305 4.406156 0.000000\nLu Tl\n10 6\ndirect\n0.500000 0.333247 0.666495 Lu\n0.500000 0.666753 0.333505 Lu\n0.000000 0.666753 0.333505 Lu\n0.000000 0.333247 0.666495 Lu\n0.750000 0.247667 0.000000 Lu\n0.750000 0.752445 0.752275 Lu\n0.750000 0.000170 0.247725 Lu\n0.250000 0.752333 0.000000 Lu\n0.250000 0.247555 0.247725 Lu\n0.250000 0.999830 0.752275 Lu\n0.750000 0.607733 0.000000 Tl\n0.750000 0.391879 0.392000 Tl\n0.750000 0.999878 0.608000 Tl\n0.250000 0.392267 0.000000 Tl\n0.250000 0.608121 0.608000 Tl\n0.250000 0.000122 0.392000 Tl\n",
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