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{
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{
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{
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{
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"structure_string": "Bi8 Ru2 Br4\n1.0\n3.439724 8.201609 0.000000\n-3.439724 8.201609 0.000000\n0.000000 7.211914 8.385864\nBi Ru Br\n8 2 4\ndirect\n0.445434 0.445434 0.367904 Bi\n0.554566 0.554566 0.632096 Bi\n0.336400 0.336400 0.719671 Bi\n0.663600 0.663600 0.280329 Bi\n0.828187 0.828187 0.568837 Bi\n0.171813 0.171813 0.431163 Bi\n0.086132 0.086132 0.222825 Bi\n0.913868 0.913868 0.777175 Bi\n0.209026 0.790974 0.500000 Ru\n0.790974 0.209026 0.500000 Ru\n0.894270 0.894270 0.242702 Br\n0.105730 0.105730 0.757298 Br\n0.678318 0.678318 0.930069 Br\n0.321682 0.321682 0.069931 Br\n",
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{
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"structure_string": "Pr4 Al2 Co4\n1.0\n2.836047 4.817959 0.000000\n-2.836047 4.817959 0.000000\n0.000000 1.795409 7.438699\nPr Al Co\n4 2 4\ndirect\n0.498067 0.210090 0.146587 Pr\n0.789910 0.501933 0.353413 Pr\n0.501933 0.789910 0.853413 Pr\n0.210090 0.498067 0.646587 Pr\n0.117198 0.882802 0.250000 Al\n0.882802 0.117198 0.750000 Al\n0.284547 0.001338 0.495002 Co\n0.998662 0.715453 0.004998 Co\n0.001338 0.284547 0.995002 Co\n0.715453 0.998662 0.504998 Co\n",
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{
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"spacegroup": 191
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{
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"created_at": "2022-09-04T14:40:56.345852Z",
"structure_string": "Na2 Sm4 Ir2 O12\n1.0\n5.937476 0.000000 0.000000\n0.000000 5.505024 0.000000\n0.000000 5.329570 7.977384\nNa Sm Ir O\n2 4 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.074745 0.778347 0.744892 Sm\n0.574745 0.221653 0.755108 Sm\n0.425255 0.778347 0.244892 Sm\n0.925255 0.221653 0.255108 Sm\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.717310 0.734140 0.426175 O\n0.217310 0.265860 0.073825 O\n0.282690 0.265860 0.573825 O\n0.782690 0.734140 0.926175 O\n0.056998 0.601779 0.267950 O\n0.556998 0.398221 0.232050 O\n0.943002 0.398221 0.732050 O\n0.443002 0.601779 0.767950 O\n0.326567 0.853738 0.944894 O\n0.826567 0.146262 0.555106 O\n0.673433 0.146262 0.055106 O\n0.173433 0.853738 0.444894 O\n",
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"elements": [
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"density_atomic": 0.07670230478596017,
"volume": 260.74835763815094,
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"formula_full": "Na2 Sm4 Ir2 O12",
"formula_reduced": "NaSm2IrO6",
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"spacegroup": 14
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{
"id": "mp-2197",
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"structure_string": "Ba1 Hg1\n1.0\n4.221566 0.000000 0.000000\n0.000000 4.221566 0.000000\n0.000000 0.000000 4.221566\nBa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n",
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"elements": [
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"chemical_system": "Ba-Hg",
"density": 7.458274923604161,
"density_atomic": 0.02658332160397026,
"volume": 75.23514291386735,
"volume_molar": 22.653831036301288,
"formula_full": "Ba1 Hg1",
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]
}