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{
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"formula_full": "Ba4 Ca4 Ce4 Hf4 O24",
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{
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"structure_string": "Ba4 Sr4 Ca4 W4 O24\n1.0\n8.454494 0.000000 0.000000\n0.000000 8.425849 0.000000\n0.000000 0.000000 8.432947\nBa Sr Ca W O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.749713 0.749015 0.747956 Ca\n0.250287 0.250985 0.747956 Ca\n0.250287 0.749015 0.252044 Ca\n0.749713 0.250985 0.252044 Ca\n0.250668 0.249171 0.253913 W\n0.749332 0.750829 0.253913 W\n0.749332 0.249171 0.746087 W\n0.250668 0.750829 0.746087 W\n0.021354 0.218645 0.282985 O\n0.978646 0.781355 0.282985 O\n0.978646 0.218645 0.717015 O\n0.021354 0.781355 0.717015 O\n0.274843 0.019861 0.227787 O\n0.274843 0.980139 0.772213 O\n0.725157 0.980139 0.227787 O\n0.725157 0.019861 0.772213 O\n0.224687 0.271626 0.023203 O\n0.775313 0.271626 0.976797 O\n0.224687 0.728374 0.976797 O\n0.775313 0.728374 0.023203 O\n0.477880 0.287018 0.221242 O\n0.522120 0.712982 0.221242 O\n0.522120 0.287018 0.778758 O\n0.477880 0.712982 0.778758 O\n0.216563 0.477156 0.287195 O\n0.216563 0.522844 0.712805 O\n0.783437 0.522844 0.287195 O\n0.783437 0.477156 0.712805 O\n0.288606 0.218323 0.480384 O\n0.711394 0.218323 0.519616 O\n0.288606 0.781677 0.519616 O\n0.711394 0.781677 0.480384 O\n",
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"formula_full": "Ba4 Sr4 Ca4 W4 O24",
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{
"id": "mp-17367",
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"structure_string": "Mn8 Si4 Se16\n1.0\n6.273692 0.000000 0.000000\n0.000000 7.836305 0.000000\n0.000000 0.000000 13.419420\nMn Si Se\n8 4 16\ndirect\n0.495873 0.750000 0.233516 Mn\n0.995873 0.250000 0.266484 Mn\n0.504127 0.250000 0.766484 Mn\n0.004127 0.750000 0.733516 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.593606 0.750000 0.911372 Si\n0.093606 0.250000 0.588628 Si\n0.406394 0.250000 0.088628 Si\n0.906394 0.750000 0.411372 Si\n0.270763 0.750000 0.407132 Se\n0.770763 0.250000 0.092868 Se\n0.729237 0.250000 0.592868 Se\n0.229237 0.750000 0.907132 Se\n0.757313 0.750000 0.569263 Se\n0.257313 0.250000 0.930737 Se\n0.242687 0.250000 0.430737 Se\n0.742687 0.750000 0.069263 Se\n0.748787 0.980366 0.332281 Se\n0.248787 0.019634 0.167719 Se\n0.251213 0.480366 0.667719 Se\n0.751213 0.519634 0.832281 Se\n0.251213 0.019634 0.667719 Se\n0.751213 0.980366 0.832281 Se\n0.748787 0.519634 0.332281 Se\n0.248787 0.480366 0.167719 Se\n",
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{
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"structure_string": "Er1 H1 Se1\n1.0\n1.903475 -3.296915 0.000000\n1.903475 3.296915 0.000000\n0.000000 0.000000 3.881145\nEr H Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.000000 H\n0.666667 0.333333 0.500000 Se\n",
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{
"id": "mp-1080309",
"created_at": "2022-09-04T14:42:02.059311Z",
"structure_string": "Ce4 Se8\n1.0\n2.053819 -3.557320 0.000000\n2.053819 3.557320 0.000000\n0.000000 0.000000 26.608491\nCe Se\n4 8\ndirect\n0.333333 0.666667 0.881033 Ce\n0.666667 0.333333 0.381033 Ce\n0.333333 0.666667 0.623806 Ce\n0.666667 0.333333 0.123806 Ce\n0.000000 0.000000 0.444357 Se\n0.000000 0.000000 0.944357 Se\n0.000000 0.000000 0.317494 Se\n0.000000 0.000000 0.817494 Se\n0.333333 0.666667 0.187122 Se\n0.666667 0.333333 0.687122 Se\n0.333333 0.666667 0.060187 Se\n0.666667 0.333333 0.560187 Se\n",
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{
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{
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{
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}