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{
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{
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{
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"structure_string": "Ba2 Cd2 Pb2\n1.0\n2.715811 6.175741 0.000000\n-2.715811 6.175741 0.000000\n0.000000 5.964459 6.196330\nBa Cd Pb\n2 2 2\ndirect\n0.541298 0.541298 0.207612 Ba\n0.458702 0.458702 0.792388 Ba\n0.158055 0.158055 0.400056 Cd\n0.841945 0.841945 0.599944 Cd\n0.834671 0.834671 0.226364 Pb\n0.165329 0.165329 0.773636 Pb\n",
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{
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"structure_string": "Rb8 Cu8 I16 O4\n1.0\n7.539827 0.000000 0.000000\n0.000000 11.399188 0.000000\n0.000000 0.000000 14.510069\nRb Cu I O\n8 8 16 4\ndirect\n0.973391 0.298299 0.351163 Rb\n0.526609 0.701701 0.851163 Rb\n0.473391 0.201701 0.648837 Rb\n0.026609 0.798299 0.148837 Rb\n0.331193 0.105188 0.007058 Rb\n0.168807 0.894812 0.507058 Rb\n0.831193 0.394812 0.992942 Rb\n0.668807 0.605188 0.492942 Rb\n0.940947 0.025255 0.727587 Cu\n0.559053 0.974745 0.227587 Cu\n0.440947 0.474745 0.272413 Cu\n0.059053 0.525255 0.772413 Cu\n0.937867 0.269916 0.748741 Cu\n0.562133 0.730084 0.248741 Cu\n0.437867 0.230084 0.251259 Cu\n0.062133 0.769916 0.751259 Cu\n0.742351 0.457759 0.721899 I\n0.757649 0.542241 0.221899 I\n0.242351 0.042241 0.278101 I\n0.257649 0.957759 0.778101 I\n0.754879 0.124050 0.856679 I\n0.745121 0.875950 0.356679 I\n0.254879 0.375950 0.143321 I\n0.245121 0.624050 0.643321 I\n0.722805 0.159123 0.161299 I\n0.777195 0.840877 0.661299 I\n0.222805 0.340877 0.838701 I\n0.277195 0.659123 0.338701 I\n0.983529 0.173300 0.587086 I\n0.516471 0.826700 0.087086 I\n0.483529 0.326700 0.412914 I\n0.016471 0.673300 0.912914 I\n0.481148 0.023410 0.519056 O\n0.018852 0.976590 0.019056 O\n0.981148 0.476590 0.480944 O\n0.518852 0.523410 0.980944 O\n",
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{
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"structure_string": "K2 Pr1 Cu1 Br6\n1.0\n0.000000 5.574323 5.574323\n5.574323 0.000000 5.574323\n5.574323 5.574323 0.000000\nK Pr Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.759871 0.240129 0.240129 Br\n0.240129 0.240129 0.759871 Br\n0.240129 0.759871 0.759871 Br\n0.240129 0.759871 0.240129 Br\n0.759871 0.240129 0.759871 Br\n0.759871 0.759871 0.240129 Br\n",
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{
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{
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{
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{
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"formula_reduced": "K2Pt(I2O)2",
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"updated_at": "2021-11-28T01:37:09.818000Z",
"spacegroup": 61
},
{
"id": "mp-1191507",
"created_at": "2022-09-04T14:39:46.621412Z",
"structure_string": "Eu8 I12 O2\n1.0\n5.229572 -9.057884 0.000000\n5.229572 9.057884 0.000000\n0.000000 0.000000 8.045918\nEu I O\n8 12 2\ndirect\n0.333333 0.666667 0.097668 Eu\n0.666667 0.333333 0.597668 Eu\n0.207127 0.792873 0.486218 Eu\n0.585745 0.792873 0.486218 Eu\n0.207127 0.414255 0.486218 Eu\n0.792873 0.207127 0.986218 Eu\n0.414255 0.207127 0.986218 Eu\n0.792873 0.585745 0.986218 Eu\n0.135778 0.864222 0.110625 I\n0.728443 0.864222 0.110625 I\n0.135778 0.271557 0.110625 I\n0.864222 0.135778 0.610625 I\n0.271557 0.135778 0.610625 I\n0.864222 0.728443 0.610625 I\n0.464458 0.535542 0.792643 I\n0.071084 0.535542 0.792643 I\n0.464458 0.928916 0.792643 I\n0.535542 0.464458 0.292643 I\n0.928916 0.464458 0.292643 I\n0.535542 0.071084 0.292643 I\n0.333333 0.666667 0.393298 O\n0.666667 0.333333 0.893298 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "Eu-I-O",
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"density_atomic": 0.028861851096516112,
"volume": 762.2518710400942,
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"formula_full": "Eu8 I12 O2",
"formula_reduced": "Eu4I6O",
"formula_anonymous": "AB4C6",
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"updated_at": "2021-11-28T01:34:33.461000Z",
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{
"id": "mp-1114035",
"created_at": "2022-09-04T14:46:06.295558Z",
"structure_string": "K1 Rb2 Lu1 Cl6\n1.0\n0.000000 5.574647 5.574647\n5.574647 0.000000 5.574647\n5.574647 5.574647 0.000000\nK Rb Lu Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.768720 0.231280 0.231280 Cl\n0.231280 0.231280 0.768720 Cl\n0.231280 0.768720 0.768720 Cl\n0.231280 0.768720 0.231280 Cl\n0.768720 0.231280 0.768720 Cl\n0.768720 0.768720 0.231280 Cl\n",
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],
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"density_atomic": 0.028861432853846788,
"volume": 346.48314415433305,
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"formula_full": "K1 Rb2 Lu1 Cl6",
"formula_reduced": "KRb2LuCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:24.849000Z",
"spacegroup": 225
}
]
}