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{
"id": "mp-11121",
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{
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{
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{
"id": "mp-556407",
"created_at": "2022-09-04T14:45:15.826123Z",
"structure_string": "Ba6 Bi4 Te2 O18\n1.0\n3.132418 -5.425507 0.000000\n3.132418 5.425507 0.000000\n0.000000 0.000000 15.053885\nBa Bi Te O\n6 4 2 18\ndirect\n0.333333 0.666667 0.081974 Ba\n0.666667 0.333333 0.918026 Ba\n0.333333 0.666667 0.581974 Ba\n0.666667 0.333333 0.418026 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.832803 Bi\n0.666667 0.333333 0.167197 Bi\n0.333333 0.666667 0.332803 Bi\n0.666667 0.333333 0.667197 Bi\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.917561 0.710120 0.574999 O\n0.000000 0.556295 0.250000 O\n0.207441 0.289880 0.925001 O\n0.917561 0.207441 0.074999 O\n0.792559 0.082439 0.574999 O\n0.792559 0.710120 0.074999 O\n0.710120 0.792559 0.425001 O\n0.443705 0.000000 0.750000 O\n0.556295 0.556295 0.750000 O\n0.289880 0.207441 0.574999 O\n0.082439 0.289880 0.425001 O\n0.207441 0.917561 0.425001 O\n0.289880 0.082439 0.074999 O\n0.556295 0.000000 0.250000 O\n0.443705 0.443705 0.250000 O\n0.000000 0.443705 0.750000 O\n0.082439 0.792559 0.925001 O\n0.710120 0.917561 0.925001 O\n",
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{
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"structure_string": "Ba2 P1 Cl1\n1.0\n7.810826 -2.336785 0.000000\n7.810826 2.336785 0.000000\n7.111724 0.000000 3.986597\nBa P Cl\n2 1 1\ndirect\n0.759638 0.759638 0.759638 Ba\n0.240362 0.240362 0.240362 Ba\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Cl\n",
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"spacegroup": 166
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{
"id": "mp-30354",
"created_at": "2022-09-04T14:45:16.090231Z",
"structure_string": "Sc1 Ag4\n1.0\n-3.343879 3.343879 2.059369\n3.343879 -3.343879 2.059369\n3.343879 3.343879 -2.059369\nSc Ag\n1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.799882 0.599582 0.399464 Ag\n0.400418 0.799882 0.200300 Ag\n0.599582 0.200118 0.799700 Ag\n0.200118 0.400418 0.600536 Ag\n",
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{
"id": "mp-1197205",
"created_at": "2022-09-04T14:45:15.679085Z",
"structure_string": "K4 Zn2 H24 Se4 O28\n1.0\n12.574475 0.000000 0.000000\n0.000000 6.370283 0.000000\n0.000000 2.243849 8.988668\nK Zn H Se O\n4 2 24 4 28\ndirect\n0.159489 0.658169 0.637659 K\n0.659489 0.341831 0.862341 K\n0.840511 0.341831 0.362341 K\n0.340511 0.658169 0.137659 K\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.414963 0.684714 0.709967 H\n0.914963 0.315286 0.790033 H\n0.585037 0.315286 0.290033 H\n0.085037 0.684714 0.209967 H\n0.374227 0.904485 0.745617 H\n0.874227 0.095515 0.754383 H\n0.625773 0.095515 0.254383 H\n0.125773 0.904485 0.245617 H\n0.401251 0.067930 0.235294 H\n0.901251 0.932070 0.264706 H\n0.598749 0.932070 0.764706 H\n0.098749 0.067930 0.735294 H\n0.314823 0.986228 0.361371 H\n0.814823 0.013772 0.138629 H\n0.685177 0.013772 0.638629 H\n0.185177 0.986228 0.861371 H\n0.555336 0.664850 0.402806 H\n0.055336 0.335150 0.097194 H\n0.444664 0.335150 0.597194 H\n0.944664 0.664850 0.902806 H\n0.639353 0.666279 0.531035 H\n0.139353 0.333721 0.968965 H\n0.360647 0.333721 0.468965 H\n0.860647 0.666279 0.031035 H\n0.363708 0.271543 0.912701 Se\n0.863708 0.728457 0.587299 Se\n0.636292 0.728457 0.087299 Se\n0.136292 0.271543 0.412701 Se\n0.258548 0.435965 0.909226 O\n0.758548 0.564035 0.590774 O\n0.741452 0.564035 0.090774 O\n0.241452 0.435965 0.409226 O\n0.428229 0.245839 0.073748 O\n0.928229 0.754161 0.426252 O\n0.571771 0.754161 0.926252 O\n0.071771 0.245839 0.573748 O\n0.445612 0.389769 0.773394 O\n0.945612 0.610231 0.726606 O\n0.554388 0.610231 0.226606 O\n0.054388 0.389769 0.273394 O\n0.322712 0.028373 0.891852 O\n0.822712 0.971627 0.608148 O\n0.677288 0.971627 0.108148 O\n0.177288 0.028373 0.391852 O\n0.387339 0.831512 0.663885 O\n0.887339 0.168488 0.836115 O\n0.612661 0.168488 0.336115 O\n0.112661 0.831512 0.163885 O\n0.388399 0.958144 0.331259 O\n0.888399 0.041856 0.168741 O\n0.611601 0.041856 0.668741 O\n0.111601 0.958144 0.831259 O\n0.564216 0.703019 0.500208 O\n0.064216 0.296981 0.999792 O\n0.435784 0.296981 0.499792 O\n0.935784 0.703019 0.000208 O\n",
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"spacegroup": 14
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{
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"structure_string": "C16 S8 N16\n1.0\n6.878932 0.000000 0.000000\n0.000000 8.563792 0.000000\n0.000000 0.000000 12.861577\nC S N\n16 8 16\ndirect\n0.617093 0.598533 0.390568 C\n0.882907 0.598533 0.890568 C\n0.617093 0.098533 0.109432 C\n0.741712 0.825225 0.136447 C\n0.258288 0.174775 0.863553 C\n0.258288 0.674775 0.636447 C\n0.382907 0.401467 0.609432 C\n0.241712 0.174775 0.363553 C\n0.758288 0.325225 0.863553 C\n0.241712 0.674775 0.136447 C\n0.382907 0.901467 0.890568 C\n0.882907 0.098533 0.609432 C\n0.741712 0.325225 0.363553 C\n0.117093 0.401467 0.109432 C\n0.117093 0.901467 0.390568 C\n0.758288 0.825225 0.636447 C\n0.164866 0.992468 0.877831 S\n0.664866 0.507532 0.877831 S\n0.164866 0.492468 0.622169 S\n0.335134 0.992468 0.377831 S\n0.835134 0.007532 0.122169 S\n0.835134 0.507532 0.377831 S\n0.335134 0.492468 0.122169 S\n0.664866 0.007532 0.622169 S\n0.320788 0.801812 0.642896 N\n0.471770 0.668454 0.397816 N\n0.179212 0.801812 0.142896 N\n0.679212 0.698188 0.142896 N\n0.471770 0.168454 0.102184 N\n0.528230 0.831546 0.897816 N\n0.820788 0.198188 0.857104 N\n0.820788 0.698188 0.642896 N\n0.028230 0.168454 0.602184 N\n0.971770 0.831546 0.397816 N\n0.971770 0.331546 0.102184 N\n0.528230 0.331546 0.602184 N\n0.028230 0.668454 0.897816 N\n0.679212 0.198188 0.357104 N\n0.320788 0.301812 0.857104 N\n0.179212 0.301812 0.357104 N\n",
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{
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"structure_string": "Cs2 Ce2 Hg2 Se6\n1.0\n2.232878 -8.109950 0.000000\n2.232878 8.109950 0.000000\n0.000000 0.000000 11.444756\nCs Ce Hg Se\n2 2 2 6\ndirect\n0.743465 0.256535 0.250000 Cs\n0.256535 0.743465 0.750000 Cs\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.457288 0.542712 0.250000 Hg\n0.542712 0.457288 0.750000 Hg\n0.938846 0.061154 0.750000 Se\n0.378871 0.621129 0.452510 Se\n0.378871 0.621129 0.047490 Se\n0.061154 0.938846 0.250000 Se\n0.621129 0.378871 0.952510 Se\n0.621129 0.378871 0.547490 Se\n",
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{
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"structure_string": "Mn4 Nb8 O24\n1.0\n5.148277 0.000000 0.000000\n0.000000 5.896774 0.000000\n0.000000 0.000000 14.651016\nMn Nb O\n4 8 24\ndirect\n0.750000 0.676439 0.000000 Mn\n0.250000 0.823561 0.500000 Mn\n0.250000 0.323561 0.000000 Mn\n0.750000 0.176439 0.500000 Mn\n0.240967 0.818576 0.837797 Nb\n0.740967 0.681424 0.662203 Nb\n0.259033 0.818576 0.162203 Nb\n0.759033 0.681424 0.337797 Nb\n0.240967 0.318576 0.662203 Nb\n0.740967 0.181424 0.837797 Nb\n0.259033 0.318576 0.337797 Nb\n0.759033 0.181424 0.162203 Nb\n0.912408 0.371143 0.744620 O\n0.412408 0.128857 0.755380 O\n0.587592 0.371143 0.255380 O\n0.087592 0.128857 0.244620 O\n0.087592 0.628857 0.255380 O\n0.587592 0.871143 0.244620 O\n0.412408 0.628857 0.744620 O\n0.912408 0.871143 0.755380 O\n0.904448 0.381977 0.081229 O\n0.404448 0.118023 0.418771 O\n0.595552 0.381977 0.918771 O\n0.095552 0.118023 0.581229 O\n0.939112 0.899866 0.099036 O\n0.439112 0.600134 0.400964 O\n0.560888 0.899866 0.900964 O\n0.060888 0.600134 0.599036 O\n0.060888 0.100134 0.900964 O\n0.560888 0.399866 0.599036 O\n0.439112 0.100134 0.099036 O\n0.939112 0.399866 0.400964 O\n0.904448 0.881977 0.418771 O\n0.404448 0.618023 0.081229 O\n0.595552 0.881977 0.581229 O\n0.095552 0.618023 0.918771 O\n",
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},
{
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{
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}