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{
"id": "mp-752505",
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"structure_string": "Li4 Fe4 O2 F8\n1.0\n3.031213 0.000114 -0.000001\n1.515795 4.969228 -0.000001\n-0.000006 -0.000009 12.661125\nLi Fe O F\n4 4 2 8\ndirect\n0.771395 0.457144 0.885541 Li\n0.228608 0.542854 0.385542 Li\n0.504848 0.990120 0.994692 Li\n0.495156 0.009879 0.494693 Li\n0.758735 0.482566 0.614162 Fe\n0.241256 0.517436 0.114162 Fe\n0.960512 0.079187 0.261946 Fe\n0.039479 0.920817 0.761940 Fe\n0.667455 0.664829 0.749973 O\n0.332530 0.335168 0.249973 O\n0.865745 0.268499 0.034115 F\n0.134258 0.731505 0.534109 F\n0.852248 0.295444 0.464593 F\n0.147765 0.704555 0.964589 F\n0.587448 0.825113 0.142287 F\n0.412566 0.174886 0.642286 F\n0.580290 0.839141 0.352696 F\n0.419707 0.160856 0.852697 F\n",
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{
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},
{
"id": "mp-1212001",
"created_at": "2022-09-04T14:40:09.529950Z",
"structure_string": "K12 Si24 H24 N44\n1.0\n10.908638 0.000000 0.000000\n0.000000 10.908638 0.000000\n0.000000 0.000000 10.908638\nK Si H N\n12 24 24 44\ndirect\n0.792176 0.792176 0.792176 K\n0.707824 0.207824 0.292176 K\n0.207824 0.292176 0.707824 K\n0.542176 0.042176 0.457824 K\n0.292176 0.707824 0.207824 K\n0.957824 0.957824 0.957824 K\n0.042176 0.457824 0.542176 K\n0.457824 0.542176 0.042176 K\n0.375000 0.375000 0.375000 K\n0.125000 0.625000 0.875000 K\n0.625000 0.875000 0.125000 K\n0.875000 0.125000 0.625000 K\n0.089023 0.236040 0.315063 Si\n0.410977 0.763960 0.815063 Si\n0.910977 0.736040 0.184937 Si\n0.315063 0.089023 0.236040 Si\n0.986040 0.339023 0.934937 Si\n0.589023 0.263960 0.684937 Si\n0.815063 0.410977 0.763960 Si\n0.513960 0.660977 0.434937 Si\n0.184937 0.910977 0.736040 Si\n0.486040 0.160977 0.065063 Si\n0.684937 0.589023 0.263960 Si\n0.013960 0.839023 0.565063 Si\n0.236040 0.315063 0.089023 Si\n0.839023 0.565063 0.013960 Si\n0.736040 0.184937 0.910977 Si\n0.660977 0.434937 0.513960 Si\n0.263960 0.684937 0.589023 Si\n0.339023 0.934937 0.986040 Si\n0.763960 0.815063 0.410977 Si\n0.160977 0.065063 0.486040 Si\n0.934937 0.986040 0.339023 Si\n0.434937 0.513960 0.660977 Si\n0.565063 0.013960 0.839023 Si\n0.065063 0.486040 0.160977 Si\n0.046372 0.628903 0.313980 H\n0.453628 0.371097 0.813980 H\n0.953628 0.128903 0.186020 H\n0.313980 0.046372 0.628903 H\n0.378903 0.296372 0.936020 H\n0.546372 0.871097 0.686020 H\n0.813980 0.453628 0.371097 H\n0.121097 0.703628 0.436020 H\n0.186020 0.953628 0.128903 H\n0.878903 0.203628 0.063980 H\n0.686020 0.546372 0.871097 H\n0.621097 0.796372 0.563980 H\n0.628903 0.313980 0.046372 H\n0.796372 0.563980 0.621097 H\n0.128903 0.186020 0.953628 H\n0.703628 0.436020 0.121097 H\n0.871097 0.686020 0.546372 H\n0.296372 0.936020 0.378903 H\n0.371097 0.813980 0.453628 H\n0.203628 0.063980 0.878903 H\n0.936020 0.378903 0.296372 H\n0.436020 0.121097 0.703628 H\n0.563980 0.621097 0.796372 H\n0.063980 0.878903 0.203628 H\n0.125000 0.215307 0.465307 N\n0.375000 0.784693 0.965307 N\n0.875000 0.715307 0.034693 N\n0.465307 0.125000 0.215307 N\n0.965307 0.375000 0.784693 N\n0.625000 0.284693 0.534693 N\n0.534693 0.625000 0.284693 N\n0.034693 0.875000 0.715307 N\n0.215307 0.465307 0.125000 N\n0.715307 0.034693 0.875000 N\n0.284693 0.534693 0.625000 N\n0.784693 0.965307 0.375000 N\n0.217826 0.217826 0.217826 N\n0.282174 0.782174 0.717826 N\n0.782174 0.717826 0.282174 N\n0.967826 0.467826 0.032174 N\n0.717826 0.282174 0.782174 N\n0.532174 0.532174 0.532174 N\n0.467826 0.032174 0.967826 N\n0.032174 0.967826 0.467826 N\n0.028617 0.381535 0.280485 N\n0.471383 0.618465 0.780485 N\n0.971383 0.881535 0.219515 N\n0.280485 0.028617 0.381535 N\n0.131535 0.278617 0.969515 N\n0.528617 0.118465 0.719515 N\n0.780485 0.471383 0.618465 N\n0.368465 0.721383 0.469515 N\n0.219515 0.971383 0.881535 N\n0.631535 0.221383 0.030485 N\n0.719515 0.528617 0.118465 N\n0.868465 0.778617 0.530485 N\n0.381535 0.280485 0.028617 N\n0.778617 0.530485 0.868465 N\n0.881535 0.219515 0.971383 N\n0.721383 0.469515 0.368465 N\n0.118465 0.719515 0.528617 N\n0.278617 0.969515 0.131535 N\n0.618465 0.780485 0.471383 N\n0.221383 0.030485 0.631535 N\n0.969515 0.131535 0.278617 N\n0.469515 0.368465 0.721383 N\n0.530485 0.868465 0.778617 N\n0.030485 0.631535 0.221383 N\n",
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"spacegroup": 213
},
{
"id": "mp-18287",
"created_at": "2022-09-04T14:40:33.069467Z",
"structure_string": "Ce4 Sb6 Pd18\n1.0\n4.048796 -6.971976 0.000000\n4.048796 6.971976 0.000000\n0.000000 0.000000 9.412889\nCe Sb Pd\n4 6 18\ndirect\n0.327072 0.018761 0.750000 Ce\n0.672928 0.981239 0.250000 Ce\n0.018761 0.327072 0.750000 Ce\n0.981239 0.672928 0.250000 Ce\n0.000000 0.000000 0.500000 Sb\n0.677414 0.322586 0.000000 Sb\n0.322586 0.677414 0.500000 Sb\n0.322586 0.677414 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.677414 0.322586 0.500000 Sb\n0.330508 0.330508 0.962905 Pd\n0.440246 0.636540 0.750000 Pd\n0.559754 0.363460 0.250000 Pd\n0.636540 0.440246 0.750000 Pd\n0.000211 0.344608 0.089662 Pd\n0.999789 0.655392 0.589662 Pd\n0.344608 0.000211 0.410338 Pd\n0.655392 0.999789 0.910338 Pd\n0.999789 0.655392 0.910338 Pd\n0.000211 0.344608 0.410338 Pd\n0.655392 0.999789 0.589662 Pd\n0.852427 0.852427 0.750000 Pd\n0.330508 0.330508 0.537095 Pd\n0.669492 0.669492 0.037095 Pd\n0.344608 0.000211 0.089662 Pd\n0.669492 0.669492 0.462905 Pd\n0.147573 0.147573 0.250000 Pd\n0.363460 0.559754 0.250000 Pd\n",
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{
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"structure_string": "Ti4 Ni15 O24\n1.0\n2.975921 -5.154447 0.000000\n2.975921 5.154447 0.000000\n0.000000 0.000000 14.504158\nTi Ni O\n4 15 24\ndirect\n0.333333 0.666667 0.289316 Ti\n0.000000 0.000000 0.623957 Ti\n0.000000 0.000000 0.376043 Ti\n0.666667 0.333333 0.710684 Ti\n0.835233 0.670466 0.167414 Ni\n0.500000 0.500000 0.000000 Ni\n0.670466 0.835233 0.832586 Ni\n0.666667 0.333333 0.333085 Ni\n0.329534 0.164767 0.167414 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.164767 0.329534 0.832586 Ni\n0.500000 0.000000 0.000000 Ni\n0.835233 0.164767 0.167414 Ni\n0.500000 0.500000 0.500000 Ni\n0.164767 0.835233 0.832586 Ni\n0.333333 0.666667 0.666915 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.502931 0.497069 0.248250 O\n0.994138 0.497069 0.248250 O\n0.700065 0.850032 0.074980 O\n0.000000 0.000000 0.249164 O\n0.497069 0.502931 0.751750 O\n0.149968 0.850032 0.074980 O\n0.149968 0.299935 0.074980 O\n0.850032 0.700065 0.925020 O\n0.502931 0.005862 0.248250 O\n0.666667 0.333333 0.083934 O\n0.299935 0.149968 0.925020 O\n0.000000 0.000000 0.750836 O\n0.005862 0.502931 0.751750 O\n0.333333 0.666667 0.916066 O\n0.830394 0.660788 0.417567 O\n0.497069 0.994138 0.751750 O\n0.169606 0.830394 0.582433 O\n0.169606 0.339212 0.582433 O\n0.850032 0.149968 0.925020 O\n0.333333 0.666667 0.417046 O\n0.660788 0.830394 0.582433 O\n0.666667 0.333333 0.582954 O\n0.339212 0.169606 0.417567 O\n0.830394 0.169606 0.417567 O\n",
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{
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"structure_string": "Tb2 Cd6\n1.0\n3.586830 -5.486844 0.000000\n3.586830 5.486844 0.000000\n0.000000 0.000000 4.914447\nTb Cd\n2 6\ndirect\n0.364779 0.635221 0.750000 Tb\n0.635221 0.364779 0.250000 Tb\n0.880548 0.689862 0.750000 Cd\n0.823777 0.176223 0.750000 Cd\n0.310138 0.119452 0.750000 Cd\n0.119452 0.310138 0.250000 Cd\n0.689862 0.880548 0.250000 Cd\n0.176223 0.823777 0.250000 Cd\n",
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{
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"structure_string": "Zr4 Cr6 Fe2\n1.0\n2.543946 -4.342275 0.000000\n2.543946 4.342275 0.000000\n0.000000 0.000000 8.141993\nZr Cr Fe\n4 6 2\ndirect\n0.665930 0.334070 0.686245 Zr\n0.333185 0.666815 0.808241 Zr\n0.333185 0.666815 0.191759 Zr\n0.665930 0.334070 0.313755 Zr\n0.170319 0.829681 0.500000 Cr\n0.337608 0.167909 0.000000 Cr\n0.832091 0.662392 0.000000 Cr\n0.832102 0.167898 0.000000 Cr\n0.999784 0.000216 0.252936 Cr\n0.999784 0.000216 0.747064 Cr\n0.662761 0.832731 0.500000 Fe\n0.167269 0.337239 0.500000 Fe\n",
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{
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"structure_string": "La6 Hf2 Sb10\n1.0\n4.823872 -8.355192 0.000000\n4.823872 8.355192 0.000000\n0.000000 0.000000 6.400833\nLa Hf Sb\n6 2 10\ndirect\n0.617971 0.000000 0.250000 La\n0.617971 0.617971 0.750000 La\n0.382029 0.000000 0.750000 La\n0.382029 0.382029 0.250000 La\n0.000000 0.617971 0.250000 La\n0.000000 0.382029 0.750000 La\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.000000 Sb\n0.742288 0.000000 0.750000 Sb\n0.742288 0.742288 0.250000 Sb\n0.000000 0.257712 0.250000 Sb\n0.000000 0.742288 0.750000 Sb\n0.257712 0.000000 0.250000 Sb\n0.257712 0.257712 0.750000 Sb\n",
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