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{
"id": "mp-1702",
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"structure_string": "La2 Rh4\n1.0\n0.000000 3.859119 3.859119\n3.859119 0.000000 3.859119\n3.859119 3.859119 0.000000\nLa Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 La\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n",
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{
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{
"id": "mp-1201965",
"created_at": "2022-09-04T14:45:59.923399Z",
"structure_string": "Mn20 P8 O48\n1.0\n5.540655 0.000000 0.000000\n0.000000 9.185083 0.000000\n0.000000 0.000000 17.292663\nMn P O\n20 8 48\ndirect\n0.050398 0.638684 0.625207 Mn\n0.550398 0.861316 0.374793 Mn\n0.949602 0.138684 0.874793 Mn\n0.449602 0.361316 0.125207 Mn\n0.548274 0.632272 0.529088 Mn\n0.048274 0.867728 0.470912 Mn\n0.451726 0.132272 0.970912 Mn\n0.951726 0.367728 0.029088 Mn\n0.558439 0.658764 0.720252 Mn\n0.058439 0.841236 0.279748 Mn\n0.441561 0.158764 0.779748 Mn\n0.941561 0.341236 0.220252 Mn\n0.722559 0.198387 0.434908 Mn\n0.222559 0.301613 0.565092 Mn\n0.277441 0.698387 0.065092 Mn\n0.777441 0.801613 0.934908 Mn\n0.403205 0.514892 0.311843 Mn\n0.903205 0.985108 0.688157 Mn\n0.596795 0.014892 0.188157 Mn\n0.096795 0.485108 0.811843 Mn\n0.688416 0.330410 0.620585 P\n0.188416 0.169590 0.379415 P\n0.311584 0.830410 0.879415 P\n0.811584 0.669590 0.120585 P\n0.872990 0.554698 0.366023 P\n0.372990 0.945302 0.633977 P\n0.127010 0.054698 0.133977 P\n0.627010 0.445302 0.866023 P\n0.436716 0.236126 0.362951 O\n0.936716 0.263874 0.637049 O\n0.563284 0.736126 0.137049 O\n0.063284 0.763874 0.862951 O\n0.715350 0.503392 0.616986 O\n0.215350 0.996608 0.383014 O\n0.284650 0.003392 0.883014 O\n0.784650 0.496608 0.116986 O\n0.490087 0.287404 0.677981 O\n0.990087 0.212596 0.322019 O\n0.509913 0.787404 0.822019 O\n0.009913 0.712596 0.177981 O\n0.590314 0.283200 0.539069 O\n0.090314 0.216800 0.460931 O\n0.409686 0.783200 0.960931 O\n0.909686 0.716800 0.039069 O\n0.886449 0.725538 0.364847 O\n0.386449 0.774462 0.635153 O\n0.113551 0.225538 0.135153 O\n0.613551 0.274462 0.864847 O\n0.673563 0.507989 0.422821 O\n0.173563 0.992011 0.577179 O\n0.326437 0.007989 0.077179 O\n0.826437 0.492011 0.922821 O\n0.122759 0.491888 0.380049 O\n0.622759 0.008112 0.619951 O\n0.877241 0.991888 0.119951 O\n0.377241 0.508112 0.880049 O\n0.768726 0.502950 0.285038 O\n0.268726 0.997050 0.714962 O\n0.231274 0.002950 0.214962 O\n0.731274 0.497050 0.785038 O\n0.241041 0.563101 0.720098 O\n0.741041 0.936899 0.279902 O\n0.758959 0.063101 0.779902 O\n0.258959 0.436899 0.220098 O\n0.354175 0.742418 0.305875 O\n0.854175 0.757582 0.694125 O\n0.645825 0.242418 0.194125 O\n0.145825 0.257582 0.805875 O\n0.878445 0.725372 0.533513 O\n0.378445 0.774628 0.466487 O\n0.121555 0.225372 0.966487 O\n0.621555 0.274628 0.033513 O\n0.254822 0.524564 0.558285 O\n0.754822 0.975436 0.441715 O\n0.745178 0.024564 0.941715 O\n0.245178 0.475436 0.058285 O\n",
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"volume": 880.0474156279405,
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"formula_full": "Mn20 P8 O48",
"formula_reduced": "Mn5(PO6)2",
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"spacegroup": 19
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{
"id": "mp-1245519",
"created_at": "2022-09-04T14:45:59.033655Z",
"structure_string": "Hf2 Co2 N4\n1.0\n3.104584 0.000000 0.000000\n-1.552292 2.692465 0.000000\n0.000000 0.000000 9.548262\nHf Co N\n2 2 4\ndirect\n0.666420 0.332839 0.250000 Hf\n0.333580 0.667161 0.750000 Hf\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.666420 0.332841 0.887499 N\n0.333580 0.667159 0.112501 N\n0.333580 0.667159 0.387499 N\n0.666420 0.332841 0.612501 N\n",
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{
"id": "mp-761045",
"created_at": "2022-09-04T14:46:01.227766Z",
"structure_string": "Mn12 O2 F22\n1.0\n4.932533 0.000000 0.000000\n0.000000 5.906700 0.000000\n0.000000 0.111105 16.236422\nMn O F\n12 2 22\ndirect\n0.498870 0.918023 0.415901 Mn\n0.491115 0.586574 0.244383 Mn\n0.504149 0.925857 0.071586 Mn\n0.495811 0.921016 0.752862 Mn\n0.499300 0.579676 0.585356 Mn\n0.492624 0.603310 0.919824 Mn\n0.998870 0.081977 0.584099 Mn\n0.004149 0.074143 0.928414 Mn\n0.995811 0.078984 0.247138 Mn\n0.992624 0.396690 0.080176 Mn\n0.999300 0.420324 0.414644 Mn\n0.991115 0.413426 0.755617 Mn\n0.290469 0.877538 0.972277 O\n0.790469 0.122462 0.027723 O\n0.264595 0.853289 0.305478 F\n0.271473 0.856910 0.642260 F\n0.267238 0.649175 0.131902 F\n0.269033 0.644430 0.474297 F\n0.277569 0.635769 0.806966 F\n0.244480 0.145657 0.140749 F\n0.231889 0.354930 0.305118 F\n0.230653 0.145903 0.473887 F\n0.227823 0.352872 0.644781 F\n0.209797 0.129713 0.816972 F\n0.233111 0.369601 0.973684 F\n0.777569 0.364231 0.193034 F\n0.771473 0.143090 0.357740 F\n0.769033 0.355570 0.525703 F\n0.767238 0.350825 0.868098 F\n0.764595 0.146711 0.694522 F\n0.709797 0.870287 0.183028 F\n0.730653 0.854097 0.526113 F\n0.727823 0.647128 0.355219 F\n0.733111 0.630399 0.026316 F\n0.744480 0.854343 0.859251 F\n0.731889 0.645070 0.694882 F\n",
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{
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"structure_string": "Sr1 Ca1 Al4 Si4 O20\n1.0\n13.113849 0.000000 0.000000\n0.000000 5.352981 0.000000\n0.000000 2.115623 4.961261\nSr Ca Al Si O\n1 1 4 4 20\ndirect\n0.500000 0.681551 0.662227 Sr\n0.000000 0.331180 0.341866 Ca\n0.752314 0.001263 0.498777 Al\n0.247686 0.001263 0.498777 Al\n0.751776 0.499073 0.000956 Al\n0.248224 0.499073 0.000956 Al\n0.881291 0.984735 0.974196 Si\n0.378345 0.015729 0.026313 Si\n0.621655 0.015729 0.026313 Si\n0.118709 0.984735 0.974196 Si\n0.811204 0.649300 0.652640 O\n0.308924 0.350238 0.347429 O\n0.691076 0.350238 0.347429 O\n0.188796 0.649300 0.652640 O\n0.500000 0.323134 0.429583 O\n0.000000 0.658650 0.563286 O\n0.866587 0.654079 0.098860 O\n0.361371 0.343917 0.901550 O\n0.638629 0.343917 0.901550 O\n0.133413 0.654079 0.098860 O\n0.500000 0.952960 0.980779 O\n0.000000 0.055884 0.032237 O\n0.819050 0.140603 0.139134 O\n0.317661 0.859661 0.859277 O\n0.682339 0.859661 0.859277 O\n0.180950 0.140603 0.139134 O\n0.136848 0.114452 0.648159 O\n0.644042 0.884372 0.348671 O\n0.355958 0.884372 0.348671 O\n0.863152 0.114452 0.648159 O\n",
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{
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{
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"structure_string": "Tb16 Cd4 Rh4\n1.0\n0.000000 6.839189 6.839189\n6.839189 0.000000 6.839189\n6.839189 6.839189 0.000000\nTb Cd Rh\n16 4 4\ndirect\n0.298050 0.900650 0.900650 Tb\n0.686079 0.313921 0.686079 Tb\n0.313921 0.686079 0.313921 Tb\n0.060462 0.439538 0.439538 Tb\n0.686079 0.313921 0.313921 Tb\n0.439538 0.060462 0.439538 Tb\n0.439538 0.060462 0.060462 Tb\n0.900650 0.900650 0.900650 Tb\n0.060462 0.439538 0.060462 Tb\n0.900650 0.298050 0.900650 Tb\n0.313921 0.686079 0.686079 Tb\n0.900650 0.900650 0.298050 Tb\n0.439538 0.439538 0.060462 Tb\n0.313921 0.313921 0.686079 Tb\n0.686079 0.686079 0.313921 Tb\n0.060462 0.060462 0.439538 Tb\n0.992220 0.669260 0.669260 Cd\n0.669260 0.992220 0.669260 Cd\n0.669260 0.669260 0.992220 Cd\n0.669260 0.669260 0.669260 Cd\n0.107609 0.107609 0.677173 Rh\n0.107609 0.677173 0.107609 Rh\n0.107609 0.107609 0.107609 Rh\n0.677173 0.107609 0.107609 Rh\n",
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{
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"elements": [
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],
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"density": 5.466174327940019,
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{
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{
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"structure_string": "Rb6 Mn2 H10\n1.0\n-4.003611 4.003611 6.045397\n4.003611 -4.003611 6.045397\n4.003611 4.003611 -6.045397\nRb Mn H\n6 2 10\ndirect\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.186483 0.686483 0.872965 Rb\n0.813517 0.313517 0.127035 Rb\n0.686483 0.813517 0.500000 Rb\n0.313517 0.186483 0.500000 Rb\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.461409 0.961409 0.748983 H\n0.212426 0.712426 0.251017 H\n0.961409 0.212426 0.500000 H\n0.712426 0.461409 0.500000 H\n0.538591 0.038591 0.251017 H\n0.787574 0.287574 0.748983 H\n0.038591 0.787574 0.500000 H\n0.287574 0.538591 0.500000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n",
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"elements": [
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],
"chemical_system": "H-Mn-Rb",
"density": 2.710822748489699,
"density_atomic": 0.04643911556490177,
"volume": 387.6042810256323,
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"formula_full": "Rb6 Mn2 H10",
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}