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{
"id": "mp-1047156",
"created_at": "2022-09-04T14:48:29.498272Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n-2.737450 2.737450 5.426572\n2.737450 -2.737450 5.426572\n2.737450 2.737450 -5.426572\nZn Cu O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n0.375000 0.625000 0.250000 Cu\n0.875000 0.625000 0.250000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.750000 Cu\n0.143836 0.371430 0.772405 O\n0.628570 0.400975 0.772405 O\n0.628570 0.856164 0.227595 O\n0.606164 0.878570 0.727595 O\n0.150975 0.878570 0.272405 O\n0.121430 0.849025 0.727595 O\n0.599025 0.371430 0.227595 O\n0.121430 0.393836 0.272405 O\n",
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{
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"structure_string": "Ca1 Hf8 N8 O4\n1.0\n5.807058 -0.084763 -0.034437\n2.979786 -5.061970 -0.032668\n2.963482 1.608224 -10.494486\nCa Hf N O\n1 8 8 4\ndirect\n0.567990 0.337188 0.333630 Ca\n0.899680 0.664880 0.311627 Hf\n0.264372 0.780665 0.726750 Hf\n0.425647 0.260751 0.024792 Hf\n0.603338 0.158987 0.741160 Hf\n0.150009 0.049325 0.448752 Hf\n0.074633 0.900983 0.009421 Hf\n0.747567 0.580094 0.016043 Hf\n0.928924 0.484428 0.740877 Hf\n0.183003 0.324152 0.349924 N\n0.705405 0.272844 0.101734 N\n0.323007 0.437655 0.651856 N\n0.525925 0.718134 0.402104 N\n0.493439 0.509703 0.877525 N\n0.013519 0.618775 0.110236 N\n0.993144 0.124573 0.650365 N\n0.853402 0.880203 0.876141 N\n0.367899 0.939857 0.073695 O\n0.913337 0.965632 0.382015 O\n0.155955 0.241934 0.883605 O\n0.628808 0.803906 0.681769 O\n",
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"formula_full": "Ca1 Hf8 N8 O4",
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"total_magnetization": 4.9e-06,
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"updated_at": "2021-11-28T01:39:43.032000Z",
"spacegroup": 1
},
{
"id": "mp-764707",
"created_at": "2022-09-04T14:48:29.507050Z",
"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n6.091423 0.000000 0.000000\n0.000000 10.446973 0.000000\n0.000000 0.023740 14.310216\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.749985 0.998547 0.333222 Li\n0.249387 0.999610 0.000386 Li\n0.750613 0.999610 0.000386 Li\n0.249555 0.998448 0.666608 Li\n0.750445 0.998448 0.666608 Li\n0.250015 0.998547 0.333222 Li\n0.249930 0.501129 0.499740 Li\n0.750070 0.501129 0.499740 Li\n0.249442 0.500998 0.833022 Li\n0.750558 0.500998 0.833022 Li\n0.249758 0.501526 0.166985 Li\n0.750242 0.501526 0.166985 Li\n0.500000 0.218308 0.840522 Mn\n0.000000 0.281302 0.340356 Mn\n0.000000 0.281063 0.673406 Mn\n0.500000 0.720106 0.993099 Mn\n0.500000 0.219358 0.506695 Fe\n0.500000 0.218698 0.173825 Fe\n0.000000 0.280315 0.007720 Fe\n0.500000 0.719696 0.658585 Fe\n0.500000 0.721465 0.328086 Co\n0.000000 0.781081 0.161015 Co\n0.000000 0.779207 0.493593 Co\n0.000000 0.779021 0.826432 Co\n0.000000 0.093634 0.193006 P\n0.000000 0.092689 0.862009 P\n0.000000 0.092718 0.526660 P\n0.500000 0.407796 0.693906 P\n0.500000 0.406707 0.360897 P\n0.500000 0.404961 0.027932 P\n0.000000 0.596726 0.638927 P\n0.000000 0.594178 0.971659 P\n0.000000 0.597183 0.305165 P\n0.500000 0.905736 0.140304 P\n0.500000 0.904436 0.805095 P\n0.500000 0.904474 0.472716 P\n0.500000 0.041391 0.762799 O\n0.500000 0.041748 0.431531 O\n0.500000 0.042305 0.098861 O\n0.000000 0.095136 0.419593 O\n0.000000 0.096548 0.085858 O\n0.000000 0.096294 0.754713 O\n0.200648 0.163540 0.906787 O\n0.799352 0.163540 0.906787 O\n0.202167 0.163205 0.570439 O\n0.797833 0.163205 0.570439 O\n0.202048 0.163869 0.237095 O\n0.797952 0.163869 0.237095 O\n0.699930 0.336355 0.406867 O\n0.300070 0.336355 0.406867 O\n0.701493 0.337482 0.738766 O\n0.298507 0.337482 0.738766 O\n0.701574 0.333366 0.071612 O\n0.298426 0.333366 0.071612 O\n0.500000 0.403346 0.586781 O\n0.500000 0.404514 0.920878 O\n0.500000 0.401898 0.254269 O\n0.000000 0.459894 0.597052 O\n0.000000 0.456268 0.932067 O\n0.000000 0.459532 0.264267 O\n0.500000 0.544914 0.734527 O\n0.500000 0.541434 0.070224 O\n0.500000 0.545795 0.400842 O\n0.000000 0.597865 0.746483 O\n0.000000 0.598375 0.079166 O\n0.000000 0.598345 0.413149 O\n0.200618 0.664822 0.926121 O\n0.202117 0.667576 0.594918 O\n0.202535 0.666809 0.260606 O\n0.797465 0.666809 0.260606 O\n0.799382 0.664822 0.926121 O\n0.797883 0.667576 0.594918 O\n0.704001 0.835435 0.096521 O\n0.295999 0.835435 0.096521 O\n0.703485 0.833665 0.762015 O\n0.702698 0.833462 0.428016 O\n0.296515 0.833665 0.762015 O\n0.297302 0.833462 0.428016 O\n0.500000 0.902490 0.248177 O\n0.500000 0.902775 0.579953 O\n0.500000 0.904579 0.912378 O\n0.000000 0.955579 0.234741 O\n0.000000 0.954213 0.901921 O\n0.000000 0.954209 0.568717 O\n",
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"elements": [
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"chemical_system": "Co-Fe-Li-Mn-O-P",
"density": 3.467860016549546,
"density_atomic": 0.09224097097176288,
"volume": 910.6582369532338,
"volume_molar": 6.5287048656973905,
"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "Li3MnFeCo(PO4)3",
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"energy": -632.1198278,
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"spacegroup": 6
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{
"id": "mp-850747",
"created_at": "2022-09-04T14:48:29.508314Z",
"structure_string": "Li4 Fe8 P8 H4 O32\n1.0\n5.013077 0.000000 0.000000\n0.000000 8.489186 0.000000\n0.000000 1.117512 15.050274\nLi Fe P H O\n4 8 8 4 32\ndirect\n0.016748 0.000000 0.750000 Li\n0.983252 0.000000 0.250000 Li\n0.849988 0.500000 0.750000 Li\n0.150012 0.500000 0.250000 Li\n0.237622 0.915946 0.500000 Fe\n0.762378 0.915946 0.000000 Fe\n0.756288 0.578551 0.001846 Fe\n0.243712 0.578551 0.501846 Fe\n0.756288 0.421449 0.498154 Fe\n0.243712 0.421449 0.998154 Fe\n0.237622 0.084054 0.000000 Fe\n0.762378 0.084054 0.500000 Fe\n0.261865 0.768587 0.889228 P\n0.738135 0.768587 0.389228 P\n0.732009 0.736021 0.619840 P\n0.267991 0.736021 0.119840 P\n0.732009 0.263979 0.880160 P\n0.267991 0.263979 0.380160 P\n0.261865 0.231413 0.610772 P\n0.738135 0.231413 0.110772 P\n0.441056 0.762447 0.754439 H\n0.558944 0.762447 0.254439 H\n0.441056 0.237553 0.745561 H\n0.558944 0.237553 0.245561 H\n0.407344 0.913197 0.921690 O\n0.592656 0.913197 0.421690 O\n0.891253 0.890519 0.592720 O\n0.966562 0.762268 0.920277 O\n0.255855 0.793218 0.784051 O\n0.108747 0.890519 0.092720 O\n0.033438 0.762268 0.420277 O\n0.698253 0.714780 0.722003 O\n0.744145 0.793218 0.284051 O\n0.449032 0.741078 0.577767 O\n0.411204 0.612629 0.916554 O\n0.301747 0.714780 0.222003 O\n0.550968 0.741078 0.077767 O\n0.893584 0.587772 0.590553 O\n0.588796 0.612629 0.416554 O\n0.893584 0.412228 0.909447 O\n0.106416 0.587772 0.090553 O\n0.411204 0.387371 0.583446 O\n0.106416 0.412228 0.409447 O\n0.449032 0.258922 0.922233 O\n0.698253 0.285220 0.777997 O\n0.588796 0.387371 0.083446 O\n0.550968 0.258922 0.422233 O\n0.255855 0.206782 0.715949 O\n0.301747 0.285220 0.277997 O\n0.966562 0.237732 0.579723 O\n0.891253 0.109481 0.907280 O\n0.744145 0.206782 0.215949 O\n0.033438 0.237732 0.079723 O\n0.108747 0.109481 0.407280 O\n0.407344 0.086803 0.578310 O\n0.592656 0.086803 0.078310 O\n",
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{
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"structure_string": "Nd1 Pu3\n1.0\n-2.432384 2.432384 4.947144\n2.432384 -2.432384 4.947144\n2.432384 2.432384 -4.947144\nNd Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n",
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{
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{
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