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{
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{
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{
"id": "mp-17829",
"created_at": "2022-09-04T14:43:48.360102Z",
"structure_string": "Sr6 Sm2 Rh2 O12\n1.0\n4.800356 -4.958389 0.000000\n4.800356 4.958389 0.000000\n-0.321269 0.000000 6.893898\nSr Sm Rh O\n6 2 2 12\ndirect\n0.380884 0.119116 0.750000 Sr\n0.119116 0.750000 0.380884 Sr\n0.750000 0.380884 0.119116 Sr\n0.619116 0.880884 0.250000 Sr\n0.250000 0.619116 0.880884 Sr\n0.880884 0.250000 0.619116 Sr\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.086372 0.291622 0.951763 O\n0.951763 0.086372 0.291622 O\n0.291622 0.951763 0.086372 O\n0.413628 0.548237 0.208378 O\n0.208378 0.413628 0.548237 O\n0.548237 0.208378 0.413628 O\n0.913628 0.708378 0.048237 O\n0.048237 0.913628 0.708378 O\n0.708378 0.048237 0.913628 O\n0.586372 0.451763 0.791622 O\n0.451763 0.791622 0.586372 O\n0.791622 0.586372 0.451763 O\n",
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{
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{
"id": "mp-1521341",
"created_at": "2022-09-04T14:43:48.473989Z",
"structure_string": "K1 Ca1 Gd1 Se1 O6\n1.0\n0.000000 -4.059610 -4.059610\n4.059610 0.000000 -4.059610\n4.059610 -4.059610 0.000000\nK Ca Gd Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Se\n0.724728 0.275272 0.275272 O\n0.275272 0.724728 0.724728 O\n0.724728 0.275272 0.724728 O\n0.275272 0.724728 0.275272 O\n0.724728 0.724728 0.275272 O\n0.275272 0.275272 0.724728 O\n",
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"density": 5.10519323574571,
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"formula_full": "K1 Ca1 Gd1 Se1 O6",
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{
"id": "mp-556523",
"created_at": "2022-09-04T14:43:48.639597Z",
"structure_string": "La2 Pb12 Cl2 O14\n1.0\n4.102663 9.540881 0.000000\n-4.102663 9.540881 0.000000\n0.000000 4.674825 8.629837\nLa Pb Cl O\n2 12 2 14\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 La\n0.200947 0.200947 0.729874 Pb\n0.633982 0.100237 0.559428 Pb\n0.054498 0.054498 0.173913 Pb\n0.437949 0.437949 0.762132 Pb\n0.899763 0.366018 0.440572 Pb\n0.345528 0.345528 0.204574 Pb\n0.654472 0.654472 0.795426 Pb\n0.562051 0.562051 0.237868 Pb\n0.799053 0.799053 0.270126 Pb\n0.100237 0.633982 0.559428 Pb\n0.366018 0.899763 0.440572 Pb\n0.945502 0.945502 0.826087 Pb\n0.733655 0.266345 0.000000 Cl\n0.266345 0.733655 0.000000 Cl\n0.040969 0.477155 0.259088 O\n0.330243 0.330243 0.989433 O\n0.653851 0.653851 0.377682 O\n0.114048 0.669455 0.757678 O\n0.669455 0.114048 0.757678 O\n0.885952 0.330545 0.242322 O\n0.669757 0.669757 0.010567 O\n0.330545 0.885952 0.242322 O\n0.477155 0.040969 0.259088 O\n0.819542 0.819542 0.028394 O\n0.522845 0.959031 0.740912 O\n0.346149 0.346149 0.622318 O\n0.180458 0.180458 0.971606 O\n0.959031 0.522845 0.740912 O\n",
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{
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"structure_string": "Ba2 Tb1 Ta1 O6\n1.0\n0.000000 4.280012 4.280012\n4.280012 0.000000 4.280012\n4.280012 4.280012 0.000000\nBa Tb Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Ta\n0.764823 0.235177 0.235177 O\n0.235177 0.764823 0.764823 O\n0.235177 0.764823 0.235177 O\n0.764823 0.235177 0.764823 O\n0.235177 0.235177 0.764823 O\n0.764823 0.764823 0.235177 O\n",
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{
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"structure_string": "Fe3 Se1\n1.0\n3.589608 0.000000 0.000000\n0.000000 3.589608 0.000000\n0.000000 0.000000 3.589608\nFe Se\n3 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Se\n",
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{
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"updated_at": "2021-11-28T01:36:17.743000Z",
"spacegroup": 186
},
{
"id": "mp-1198124",
"created_at": "2022-09-04T14:43:48.901961Z",
"structure_string": "Cs4 B8 P8 H4 O36\n1.0\n12.681567 0.000000 0.000000\n0.000000 6.948909 0.000000\n0.000000 1.311364 9.021917\nCs B P H O\n4 8 8 4 36\ndirect\n0.379530 0.277925 0.191834 Cs\n0.879530 0.722075 0.308166 Cs\n0.620470 0.722075 0.808166 Cs\n0.120470 0.277925 0.691834 Cs\n0.145993 0.925297 0.139804 B\n0.645993 0.074703 0.360196 B\n0.854007 0.074703 0.860196 B\n0.354007 0.925297 0.639804 B\n0.134718 0.619673 0.028259 B\n0.634718 0.380327 0.471741 B\n0.865282 0.380327 0.971741 B\n0.365282 0.619673 0.528259 B\n0.205382 0.857712 0.442499 P\n0.705382 0.142288 0.057501 P\n0.794618 0.142288 0.557501 P\n0.294618 0.857712 0.942499 P\n0.541629 0.718836 0.334470 P\n0.041629 0.281164 0.165530 P\n0.458371 0.281164 0.665530 P\n0.958371 0.718836 0.834470 P\n0.486149 0.770585 0.102798 H\n0.986149 0.229415 0.397202 H\n0.513851 0.229415 0.897202 H\n0.013851 0.770585 0.602798 H\n0.215877 0.996728 0.010617 O\n0.715877 0.003272 0.489383 O\n0.784123 0.003272 0.989383 O\n0.284123 0.996728 0.510617 O\n0.556601 0.931378 0.360124 O\n0.056601 0.068622 0.139876 O\n0.443399 0.068622 0.639876 O\n0.943399 0.931378 0.860124 O\n0.214236 0.932439 0.273363 O\n0.714236 0.067561 0.226637 O\n0.785764 0.067561 0.726637 O\n0.285764 0.932439 0.773363 O\n0.094133 0.860995 0.499254 O\n0.594133 0.139005 0.000746 O\n0.905867 0.139005 0.500746 O\n0.405867 0.860995 0.999254 O\n0.101335 0.738925 0.132607 O\n0.601335 0.261075 0.367393 O\n0.898665 0.261075 0.867393 O\n0.398665 0.738925 0.632607 O\n0.546791 0.697929 0.166279 O\n0.046791 0.302071 0.333721 O\n0.453209 0.302071 0.833721 O\n0.953209 0.697929 0.666279 O\n0.254262 0.648629 0.478697 O\n0.754262 0.351371 0.021303 O\n0.745738 0.351371 0.521303 O\n0.245738 0.648629 0.978697 O\n0.431171 0.647023 0.386612 O\n0.931171 0.352977 0.113388 O\n0.568829 0.352977 0.613388 O\n0.068829 0.647023 0.886612 O\n0.131313 0.405772 0.086208 O\n0.631313 0.594228 0.413792 O\n0.868687 0.594228 0.913792 O\n0.368687 0.405772 0.586208 O\n",
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"elements": [
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"P",
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],
"chemical_system": "B-Cs-H-O-P",
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"formula_full": "Cs4 B8 P8 H4 O36",
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"updated_at": "2021-11-28T01:36:18.028000Z",
"spacegroup": 14
}
]
}