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{
"id": "mp-629511",
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"structure_string": "Ce8 Sb4 S20 Br4\n1.0\n5.486911 0.000000 0.000000\n0.000000 8.859215 0.000000\n0.000000 0.000000 17.730008\nCe Sb S Br\n8 4 20 4\ndirect\n0.250000 0.776879 0.029706 Ce\n0.750000 0.723121 0.529706 Ce\n0.750000 0.223121 0.970294 Ce\n0.250000 0.844952 0.299707 Ce\n0.750000 0.655048 0.799707 Ce\n0.250000 0.344952 0.200293 Ce\n0.250000 0.276879 0.470294 Ce\n0.750000 0.155048 0.700293 Ce\n0.750000 0.513506 0.328802 Sb\n0.750000 0.013506 0.171198 Sb\n0.250000 0.986494 0.828802 Sb\n0.250000 0.486494 0.671198 Sb\n0.440735 0.655373 0.173258 S\n0.940735 0.344627 0.826742 S\n0.940735 0.844627 0.673258 S\n0.750000 0.979757 0.844829 S\n0.750000 0.479757 0.655171 S\n0.250000 0.020243 0.155171 S\n0.750000 0.925239 0.041094 S\n0.440735 0.155373 0.326742 S\n0.250000 0.074761 0.958906 S\n0.250000 0.520243 0.344829 S\n0.750000 0.787170 0.357582 S\n0.750000 0.425239 0.458906 S\n0.059265 0.155373 0.326742 S\n0.250000 0.712830 0.857582 S\n0.750000 0.287170 0.142418 S\n0.250000 0.212830 0.642418 S\n0.059265 0.655373 0.173258 S\n0.559265 0.844627 0.673258 S\n0.250000 0.574761 0.541094 S\n0.559265 0.344627 0.826742 S\n0.250000 0.403659 0.027943 Br\n0.250000 0.903659 0.472057 Br\n0.750000 0.596341 0.972057 Br\n0.750000 0.096341 0.527943 Br\n",
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"spacegroup": 62
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{
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"created_at": "2022-09-04T14:46:56.537409Z",
"structure_string": "K4 Hg4 C12 S12 N12\n1.0\n4.107278 0.000000 0.000000\n0.000000 12.070627 0.000000\n0.000000 11.559950 19.076062\nK Hg C S N\n4 4 12 12 12\ndirect\n0.210853 0.405243 0.190173 K\n0.789147 0.594757 0.809827 K\n0.289147 0.405243 0.690173 K\n0.710853 0.594757 0.309827 K\n0.710517 0.855162 0.960275 Hg\n0.789483 0.855162 0.460275 Hg\n0.210517 0.144838 0.539725 Hg\n0.289483 0.144838 0.039725 Hg\n0.753530 0.097206 0.301918 C\n0.755947 0.358824 0.555893 C\n0.246470 0.902794 0.698082 C\n0.732128 0.716075 0.126908 C\n0.232128 0.283925 0.373092 C\n0.267872 0.283925 0.873092 C\n0.253530 0.902794 0.198082 C\n0.744053 0.358824 0.055893 C\n0.244053 0.641176 0.444107 C\n0.767872 0.716075 0.626908 C\n0.255947 0.641176 0.944107 C\n0.746470 0.097206 0.801918 C\n0.282442 0.669120 0.509089 S\n0.265567 0.126953 0.431896 S\n0.217558 0.669120 0.009089 S\n0.841791 0.942874 0.332099 S\n0.234433 0.126953 0.931896 S\n0.658209 0.942874 0.832099 S\n0.341791 0.057126 0.167901 S\n0.158209 0.057126 0.667901 S\n0.765567 0.873047 0.068104 S\n0.734433 0.873047 0.568104 S\n0.717558 0.330880 0.490911 S\n0.782442 0.330880 0.990911 S\n0.291552 0.395380 0.830654 N\n0.208448 0.395380 0.330654 N\n0.696095 0.208569 0.276417 N\n0.303905 0.791431 0.723583 N\n0.196095 0.791431 0.223583 N\n0.803905 0.208569 0.776417 N\n0.708448 0.604620 0.169346 N\n0.286652 0.620791 0.898271 N\n0.213348 0.620791 0.398271 N\n0.791552 0.604620 0.669346 N\n0.786652 0.379209 0.601729 N\n0.713348 0.379209 0.101729 N\n",
"nsites": 44,
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"formula_full": "K4 Hg4 C12 S12 N12",
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"spacegroup": 14
},
{
"id": "mp-1187699",
"created_at": "2022-09-04T14:46:56.545279Z",
"structure_string": "Tm3 In1\n1.0\n4.788674 0.000000 0.000000\n0.000000 4.788674 0.000000\n0.000000 0.000000 4.788674\nTm In\n3 1\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 In\n",
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"density": 9.400018303788043,
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"volume": 109.81099263429468,
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"formula_full": "Tm3 In1",
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"formula_anonymous": "AB3",
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{
"id": "mp-1214491",
"created_at": "2022-09-04T14:46:56.547863Z",
"structure_string": "Ba4 I4 Br4\n1.0\n5.150966 0.000000 0.000000\n0.000000 8.853330 0.000000\n0.000000 0.000000 10.251502\nBa I Br\n4 4 4\ndirect\n0.250000 0.728598 0.624798 Ba\n0.750000 0.271402 0.375202 Ba\n0.750000 0.771402 0.124798 Ba\n0.250000 0.228598 0.875202 Ba\n0.250000 0.471608 0.167905 I\n0.750000 0.528392 0.832095 I\n0.750000 0.028392 0.667905 I\n0.250000 0.971608 0.332095 I\n0.250000 0.856501 0.933222 Br\n0.750000 0.143499 0.066778 Br\n0.750000 0.643499 0.433222 Br\n0.250000 0.356501 0.566778 Br\n",
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"formula_full": "Ba4 I4 Br4",
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"updated_at": "2021-11-28T01:37:48.540000Z",
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{
"id": "mp-1044224",
"created_at": "2022-09-04T14:46:56.549984Z",
"structure_string": "Ca1 W4 O8\n1.0\n5.804323 -3.278741 0.000000\n5.804323 3.278741 0.000000\n3.952231 0.000000 5.368443\nCa W O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.281469 0.762110 0.762110 O\n0.237890 0.237890 0.718531 O\n0.718531 0.237890 0.237890 O\n0.237890 0.718531 0.237890 O\n0.278646 0.278646 0.278646 O\n0.721354 0.721354 0.721354 O\n0.762110 0.281469 0.762110 O\n0.762110 0.762110 0.281469 O\n",
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{
"id": "mp-1210767",
"created_at": "2022-09-04T14:46:56.551865Z",
"structure_string": "Pr12 In1 Co6\n1.0\n-5.065045 5.065045 5.065045\n5.065045 -5.065045 5.065045\n5.065045 5.065045 -5.065045\nPr In Co\n12 1 6\ndirect\n0.809288 0.694241 0.503529 Pr\n0.190712 0.305759 0.496471 Pr\n0.190712 0.694241 0.884954 Pr\n0.809288 0.305759 0.115046 Pr\n0.694241 0.503529 0.809288 Pr\n0.305759 0.496471 0.190712 Pr\n0.694241 0.884954 0.190712 Pr\n0.305759 0.115046 0.809288 Pr\n0.503529 0.809288 0.694241 Pr\n0.496471 0.190712 0.305759 Pr\n0.115046 0.809288 0.305759 Pr\n0.884954 0.190712 0.694241 Pr\n0.000000 0.000000 0.000000 In\n0.888603 0.388603 0.500000 Co\n0.111397 0.611397 0.500000 Co\n0.388603 0.500000 0.888603 Co\n0.611397 0.500000 0.111397 Co\n0.500000 0.888603 0.388603 Co\n0.500000 0.111397 0.611397 Co\n",
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{
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{
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"structure_string": "Fe1 Pb2 C6 N6\n1.0\n3.572636 -6.187986 0.000000\n3.572636 6.187986 0.000000\n0.000000 0.000000 5.810973\nFe Pb C N\n1 2 6 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.436603 Pb\n0.333333 0.666667 0.563397 Pb\n0.236063 0.185136 0.815150 C\n0.814864 0.050927 0.815150 C\n0.949073 0.763937 0.815150 C\n0.050927 0.236063 0.184850 C\n0.763937 0.814864 0.184850 C\n0.185136 0.949073 0.184850 C\n0.692148 0.076648 0.701113 N\n0.384500 0.307852 0.701113 N\n0.923352 0.615500 0.701113 N\n0.307852 0.923352 0.298887 N\n0.076648 0.384500 0.298887 N\n0.615500 0.692148 0.298887 N\n",
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{
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{
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