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{
"id": "mp-1203847",
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{
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"structure_string": "Ba10 Re6 O32\n1.0\n5.539309 -9.594365 0.000000\n5.539309 9.594365 0.000000\n0.000000 0.000000 7.963789\nBa Re O\n10 6 32\ndirect\n0.666667 0.333333 0.502939 Ba\n0.333333 0.666667 0.502939 Ba\n0.333333 0.666667 0.002939 Ba\n0.666667 0.333333 0.002939 Ba\n0.260238 0.260238 0.239571 Ba\n0.739762 0.000000 0.239571 Ba\n0.000000 0.739762 0.239571 Ba\n0.739762 0.739762 0.739571 Ba\n0.260238 0.000000 0.739571 Ba\n0.000000 0.260238 0.739571 Ba\n0.390017 0.390017 0.794903 Re\n0.609983 0.000000 0.794903 Re\n0.000000 0.609983 0.794903 Re\n0.609983 0.609983 0.294903 Re\n0.390017 0.000000 0.294903 Re\n0.000000 0.390017 0.294903 Re\n0.000000 0.000000 0.179350 O\n0.000000 0.000000 0.679350 O\n0.296944 0.296944 0.615679 O\n0.703056 0.000000 0.615679 O\n0.000000 0.703056 0.615679 O\n0.703056 0.703056 0.115679 O\n0.296944 0.000000 0.115679 O\n0.000000 0.296944 0.115679 O\n0.576904 0.446243 0.759131 O\n0.553757 0.130661 0.759131 O\n0.869339 0.423096 0.759131 O\n0.446243 0.576904 0.759131 O\n0.130661 0.553757 0.759131 O\n0.423096 0.869339 0.759131 O\n0.423096 0.553757 0.259131 O\n0.446243 0.869339 0.259131 O\n0.130661 0.576904 0.259131 O\n0.553757 0.423096 0.259131 O\n0.869339 0.446243 0.259131 O\n0.576904 0.130661 0.259131 O\n0.385805 0.254440 0.935425 O\n0.745560 0.131365 0.935425 O\n0.868635 0.614195 0.935425 O\n0.254440 0.385805 0.935425 O\n0.131365 0.745560 0.935425 O\n0.614195 0.868635 0.935425 O\n0.614195 0.745560 0.435425 O\n0.254440 0.868635 0.435425 O\n0.131365 0.385805 0.435425 O\n0.745560 0.614195 0.435425 O\n0.868635 0.254440 0.435425 O\n0.385805 0.131365 0.435425 O\n",
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"formula_full": "Ba10 Re6 O32",
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{
"id": "mp-1196343",
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"formula_full": "Rb8 Ba2 V12 O36",
"formula_reduced": "Rb4BaV6O18",
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"energy": -444.48346425,
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"updated_at": "2021-11-28T01:37:54.101000Z",
"spacegroup": 161
},
{
"id": "mp-1197457",
"created_at": "2022-09-04T14:43:59.847033Z",
"structure_string": "Rb4 Ba4 Sc4 Si12 O36\n1.0\n10.331757 0.000000 0.000000\n0.000000 7.053238 0.000000\n0.000000 7.043628 12.039996\nRb Ba Sc Si O\n4 4 4 12 36\ndirect\n0.054239 0.665072 0.079244 Rb\n0.445761 0.665072 0.579244 Rb\n0.945761 0.334928 0.920756 Rb\n0.554239 0.334928 0.420756 Rb\n0.941435 0.328911 0.412420 Ba\n0.558565 0.328911 0.912420 Ba\n0.058565 0.671089 0.587580 Ba\n0.441435 0.671089 0.087580 Ba\n0.004043 0.021253 0.734970 Sc\n0.495957 0.021253 0.234970 Sc\n0.995957 0.978747 0.265030 Sc\n0.504043 0.978747 0.765030 Sc\n0.764214 0.868866 0.942090 Si\n0.735786 0.868866 0.442090 Si\n0.235786 0.131134 0.057910 Si\n0.264214 0.131134 0.557910 Si\n0.751683 0.384815 0.123198 Si\n0.748317 0.384815 0.623198 Si\n0.248317 0.615185 0.876802 Si\n0.251683 0.615185 0.376802 Si\n0.752930 0.750890 0.183292 Si\n0.747070 0.750890 0.683292 Si\n0.247070 0.249110 0.816708 Si\n0.252930 0.249110 0.316708 Si\n0.875156 0.002162 0.853193 O\n0.624844 0.002162 0.353193 O\n0.124844 0.997838 0.146807 O\n0.375156 0.997838 0.646807 O\n0.613615 0.939270 0.909472 O\n0.886385 0.939270 0.409472 O\n0.386385 0.060730 0.090528 O\n0.113615 0.060730 0.590528 O\n0.784140 0.598958 0.995855 O\n0.715860 0.598958 0.495855 O\n0.215860 0.401042 0.004145 O\n0.284140 0.401042 0.504145 O\n0.792523 0.909486 0.049692 O\n0.707477 0.909486 0.549692 O\n0.207477 0.090514 0.950308 O\n0.292523 0.090514 0.450308 O\n0.872557 0.222630 0.154305 O\n0.627443 0.222630 0.654305 O\n0.127443 0.777370 0.845695 O\n0.372557 0.777370 0.345695 O\n0.607678 0.304729 0.111695 O\n0.892322 0.304729 0.611695 O\n0.392322 0.695271 0.888305 O\n0.107678 0.695271 0.388305 O\n0.746620 0.492339 0.205966 O\n0.753380 0.492339 0.705966 O\n0.253380 0.507661 0.794034 O\n0.246620 0.507661 0.294034 O\n0.870398 0.741989 0.261672 O\n0.629602 0.741989 0.761672 O\n0.129602 0.258011 0.738328 O\n0.370398 0.258011 0.238328 O\n0.606991 0.801989 0.204687 O\n0.893009 0.801989 0.704687 O\n0.393009 0.198011 0.795313 O\n0.106991 0.198011 0.295313 O\n",
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"spacegroup": 14
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{
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{
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"structure_string": "Rb1 Ba1 O3\n1.0\n4.995185 0.000000 0.000000\n0.000000 4.995185 0.000000\n0.000000 0.000000 4.995185\nRb Ba O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Rb1 Ba1 O3",
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{
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{
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