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{
"id": "mp-1097589",
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{
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"formula_full": "Rb8 Na4 Mn4 H24 C20 N22 O12",
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"spacegroup": 64
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{
"id": "mp-1246804",
"created_at": "2022-09-04T14:46:12.357842Z",
"structure_string": "Ba6 Ta4 N8\n1.0\n9.507562 2.338216 1.479393\n-4.952271 6.328404 0.000000\n0.821864 0.643147 5.901358\nBa Ta N\n6 4 8\ndirect\n0.262352 0.958013 0.116369 Ba\n0.737648 0.695661 0.383631 Ba\n0.737648 0.041987 0.883631 Ba\n0.262352 0.304339 0.616369 Ba\n0.000000 0.658687 0.750000 Ba\n0.000000 0.341313 0.250000 Ba\n0.593811 0.199043 0.454005 Ta\n0.406189 0.605232 0.045995 Ta\n0.406189 0.800957 0.545995 Ta\n0.593811 0.394768 0.954005 Ta\n0.354727 0.014891 0.574819 N\n0.645273 0.660164 0.925181 N\n0.645273 0.985109 0.425181 N\n0.354727 0.339836 0.074819 N\n0.714520 0.356898 0.643579 N\n0.285480 0.642378 0.856421 N\n0.285480 0.643102 0.356421 N\n0.714520 0.357622 0.143579 N\n",
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"formula_full": "Ba6 Ta4 N8",
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{
"id": "mp-1185469",
"created_at": "2022-09-04T14:46:12.358068Z",
"structure_string": "Li1 Yb3\n1.0\n-2.625608 2.625608 5.302602\n2.625608 -2.625608 5.302602\n2.625608 2.625608 -5.302602\nLi Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
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{
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"structure_string": "K2 Ba8 Bi6 O2\n1.0\n-4.564656 4.564656 8.518755\n4.564656 -4.564656 8.518755\n4.564656 4.564656 -8.518755\nK Ba Bi O\n2 8 6 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.499874 0.999874 0.809986 Ba\n0.999874 0.189888 0.500000 Ba\n0.189888 0.689888 0.190014 Ba\n0.500126 0.000126 0.190014 Ba\n0.689888 0.499874 0.500000 Ba\n0.810112 0.310112 0.809986 Ba\n0.310112 0.500126 0.500000 Ba\n0.000126 0.810112 0.500000 Ba\n0.379557 0.120443 0.500000 Bi\n0.879557 0.379557 0.259114 Bi\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n0.120443 0.620443 0.740886 Bi\n0.620443 0.879557 0.500000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
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{
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{
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"structure_string": "P12 S4 N16 Cl20 O4\n1.0\n8.080117 0.000000 0.000000\n0.000000 9.170885 0.000000\n0.000000 0.000000 17.569614\nP S N Cl O\n12 4 16 20 4\ndirect\n0.283091 0.901992 0.855080 P\n0.216909 0.598008 0.355080 P\n0.527673 0.750000 0.933955 P\n0.716909 0.098008 0.144920 P\n0.283091 0.598008 0.855080 P\n0.716909 0.401992 0.144920 P\n0.027673 0.250000 0.566045 P\n0.972327 0.750000 0.433955 P\n0.472327 0.250000 0.066045 P\n0.216909 0.901992 0.355080 P\n0.783091 0.401992 0.644920 P\n0.783091 0.098008 0.644920 P\n0.609661 0.250000 0.913208 S\n0.390339 0.750000 0.086792 S\n0.890339 0.250000 0.413208 S\n0.109661 0.750000 0.586792 S\n0.698121 0.250000 0.666335 N\n0.049420 0.899596 0.402929 N\n0.301879 0.750000 0.333665 N\n0.450580 0.600404 0.902929 N\n0.032706 0.250000 0.470358 N\n0.967294 0.750000 0.529642 N\n0.950580 0.399596 0.597071 N\n0.532706 0.750000 0.029642 N\n0.450580 0.899596 0.902929 N\n0.467294 0.250000 0.970358 N\n0.549420 0.100404 0.097071 N\n0.801879 0.250000 0.166335 N\n0.549420 0.399596 0.097071 N\n0.198121 0.750000 0.833665 N\n0.049420 0.600404 0.402929 N\n0.950580 0.100404 0.597071 N\n0.384448 0.470967 0.407850 Cl\n0.884448 0.970967 0.092150 Cl\n0.320326 0.019059 0.759035 Cl\n0.771809 0.750000 0.911460 Cl\n0.728191 0.750000 0.411460 Cl\n0.884448 0.529033 0.092150 Cl\n0.115552 0.029033 0.907850 Cl\n0.384448 0.029033 0.407850 Cl\n0.115552 0.470967 0.907850 Cl\n0.179674 0.480941 0.259035 Cl\n0.271809 0.250000 0.588540 Cl\n0.179674 0.019059 0.259035 Cl\n0.679674 0.519059 0.240965 Cl\n0.679674 0.980941 0.240965 Cl\n0.320326 0.480941 0.759035 Cl\n0.228191 0.250000 0.088540 Cl\n0.820326 0.519059 0.740965 Cl\n0.820326 0.980941 0.740965 Cl\n0.615552 0.970967 0.592150 Cl\n0.615552 0.529033 0.592150 Cl\n0.219581 0.750000 0.058875 O\n0.780419 0.250000 0.941125 O\n0.719581 0.250000 0.441125 O\n0.280419 0.750000 0.558875 O\n",
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{
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"structure_string": "Cr6 P2 N2\n1.0\n1.582692 -4.694213 0.000000\n1.582692 4.694213 0.000000\n0.000000 0.000000 7.105107\nCr P N\n6 2 2\ndirect\n0.939703 0.060297 0.250000 Cr\n0.060297 0.939703 0.750000 Cr\n0.626846 0.373154 0.449591 Cr\n0.373154 0.626846 0.550409 Cr\n0.626846 0.373154 0.050409 Cr\n0.373154 0.626846 0.949591 Cr\n0.252234 0.747766 0.250000 P\n0.747766 0.252234 0.750000 P\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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