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{
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{
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"structure_string": "Ba4 Be4 F16\n1.0\n5.405474 0.000000 0.000000\n0.000000 7.143482 0.000000\n0.000000 0.000000 8.976665\nBa Be F\n4 4 16\ndirect\n0.250000 0.154654 0.187368 Ba\n0.750000 0.845346 0.812632 Ba\n0.750000 0.654654 0.312632 Ba\n0.250000 0.345346 0.687368 Ba\n0.250000 0.809008 0.554007 Be\n0.250000 0.690992 0.054007 Be\n0.750000 0.309008 0.945993 Be\n0.750000 0.190992 0.445993 Be\n0.484863 0.818369 0.078975 F\n0.015137 0.681631 0.578975 F\n0.515137 0.318369 0.421025 F\n0.984863 0.181631 0.921025 F\n0.250000 0.876842 0.390476 F\n0.750000 0.123158 0.609524 F\n0.750000 0.376842 0.109524 F\n0.250000 0.623158 0.890476 F\n0.250000 0.964648 0.674720 F\n0.750000 0.035352 0.325280 F\n0.750000 0.464648 0.825280 F\n0.250000 0.535352 0.174720 F\n0.984863 0.318369 0.421025 F\n0.484863 0.681631 0.578975 F\n0.015137 0.818369 0.078975 F\n0.515137 0.181631 0.921025 F\n",
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{
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"formula_full": "Ba14 B8 Se26",
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{
"id": "mp-30105",
"created_at": "2022-09-04T14:44:47.806368Z",
"structure_string": "Ba8 B16 Se52\n1.0\n11.971130 0.000000 0.000000\n0.000000 12.969254 0.000000\n0.000000 3.140811 12.815239\nBa B Se\n8 16 52\ndirect\n0.088027 0.636587 0.609416 Ba\n0.588027 0.363413 0.890584 Ba\n0.911973 0.363413 0.390584 Ba\n0.411973 0.636587 0.109416 Ba\n0.098546 0.103478 0.784972 Ba\n0.598546 0.896522 0.715028 Ba\n0.901454 0.896522 0.215028 Ba\n0.401454 0.103478 0.284972 Ba\n0.223814 0.970891 0.591846 B\n0.723814 0.029109 0.908154 B\n0.776186 0.029109 0.408154 B\n0.276186 0.970891 0.091846 B\n0.227851 0.763584 0.797213 B\n0.727851 0.236416 0.702787 B\n0.772149 0.236416 0.202787 B\n0.272149 0.763584 0.297213 B\n0.225360 0.516145 0.901999 B\n0.725360 0.483855 0.598001 B\n0.774640 0.483855 0.098001 B\n0.274640 0.516145 0.401999 B\n0.279367 0.217487 0.983698 B\n0.779367 0.782513 0.516302 B\n0.720633 0.782513 0.016302 B\n0.220633 0.217487 0.483698 B\n0.346655 0.038002 0.667462 Se\n0.846655 0.961998 0.832538 Se\n0.653345 0.961998 0.332538 Se\n0.153345 0.038002 0.167462 Se\n0.316830 0.898613 0.496415 Se\n0.816830 0.101387 0.003585 Se\n0.683170 0.101387 0.503585 Se\n0.183170 0.898613 0.996415 Se\n0.122684 0.868336 0.697686 Se\n0.622684 0.131664 0.802314 Se\n0.877316 0.131664 0.302314 Se\n0.377316 0.868336 0.197686 Se\n0.323063 0.834356 0.893093 Se\n0.823063 0.165644 0.606907 Se\n0.676937 0.165644 0.106907 Se\n0.176937 0.834356 0.393093 Se\n0.353346 0.705010 0.715961 Se\n0.853346 0.294990 0.784039 Se\n0.646654 0.294990 0.284039 Se\n0.146654 0.705010 0.215961 Se\n0.119052 0.645094 0.872113 Se\n0.619052 0.354906 0.627887 Se\n0.880948 0.354906 0.127887 Se\n0.380948 0.645094 0.372113 Se\n0.387761 0.559092 0.865876 Se\n0.887761 0.440908 0.634124 Se\n0.612239 0.440908 0.134124 Se\n0.112239 0.559092 0.365876 Se\n0.226685 0.456735 0.060496 Se\n0.726685 0.543265 0.439504 Se\n0.773315 0.543265 0.939504 Se\n0.273315 0.456735 0.560496 Se\n0.152072 0.419214 0.818640 Se\n0.652072 0.580786 0.681360 Se\n0.847928 0.580786 0.181360 Se\n0.347928 0.419214 0.318640 Se\n0.291270 0.281639 0.825792 Se\n0.791270 0.718361 0.674208 Se\n0.708730 0.718361 0.174208 Se\n0.208730 0.281639 0.325792 Se\n0.357389 0.311035 0.069289 Se\n0.857389 0.688965 0.430711 Se\n0.642611 0.688965 0.930711 Se\n0.142611 0.311035 0.569289 Se\n0.385272 0.088219 0.016699 Se\n0.885272 0.911781 0.483301 Se\n0.614728 0.911781 0.983301 Se\n0.114728 0.088219 0.516699 Se\n0.115099 0.185287 0.020473 Se\n0.615099 0.814713 0.479527 Se\n0.884901 0.814713 0.979527 Se\n0.384901 0.185287 0.520473 Se\n",
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"formula_full": "Ba8 B16 Se52",
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{
"id": "mp-570823",
"created_at": "2022-09-04T14:42:25.081015Z",
"structure_string": "Ba2 B4 Se12\n1.0\n3.890133 -5.738215 0.000000\n3.890133 5.738215 0.000000\n0.000000 0.000000 10.640585\nBa B Se\n2 4 12\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.386714 0.613286 0.000000 B\n0.613286 0.386714 0.000000 B\n0.113286 0.886714 0.500000 B\n0.886714 0.113286 0.500000 B\n0.477214 0.892186 0.091975 Se\n0.400849 0.400849 0.135291 Se\n0.107814 0.522786 0.908025 Se\n0.392186 0.977214 0.408025 Se\n0.607814 0.022786 0.591975 Se\n0.892186 0.477214 0.091975 Se\n0.022786 0.607814 0.591975 Se\n0.522786 0.107814 0.908025 Se\n0.099151 0.099151 0.635291 Se\n0.599151 0.599151 0.864709 Se\n0.900849 0.900849 0.364709 Se\n0.977214 0.392186 0.408025 Se\n",
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{
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"structure_string": "Ba14 B8 S26\n1.0\n12.142905 5.148335 0.000000\n-12.142905 5.148335 0.000000\n0.000000 0.008946 10.286883\nBa B S\n14 8 26\ndirect\n0.008447 0.991553 0.250000 Ba\n0.991553 0.008447 0.750000 Ba\n0.104785 0.453960 0.855818 Ba\n0.497644 0.502356 0.750000 Ba\n0.895215 0.546040 0.144182 Ba\n0.502356 0.497644 0.250000 Ba\n0.066031 0.722399 0.529808 Ba\n0.277601 0.933969 0.970192 Ba\n0.331395 0.668605 0.250000 Ba\n0.933969 0.277601 0.470192 Ba\n0.668605 0.331395 0.750000 Ba\n0.722399 0.066031 0.029808 Ba\n0.453960 0.104785 0.355818 Ba\n0.546040 0.895215 0.644182 Ba\n0.067833 0.291833 0.150083 B\n0.716147 0.481849 0.432405 B\n0.518151 0.283853 0.067595 B\n0.283853 0.518151 0.567595 B\n0.708167 0.932167 0.349917 B\n0.291833 0.067833 0.650083 B\n0.481849 0.716147 0.932405 B\n0.932167 0.708167 0.849917 B\n0.998704 0.375973 0.151995 S\n0.624027 0.001296 0.348005 S\n0.164821 0.318544 0.292718 S\n0.374791 0.539693 0.997945 S\n0.001296 0.624027 0.848005 S\n0.625209 0.460307 0.002055 S\n0.318544 0.164821 0.792718 S\n0.795825 0.204175 0.750000 S\n0.823527 0.975525 0.483509 S\n0.975525 0.823527 0.983509 S\n0.186937 0.348742 0.647252 S\n0.375973 0.998704 0.651995 S\n0.539693 0.374791 0.497945 S\n0.681456 0.835179 0.207282 S\n0.835179 0.681456 0.707282 S\n0.024475 0.176473 0.016491 S\n0.651258 0.813063 0.852748 S\n0.204175 0.795825 0.250000 S\n0.813063 0.651258 0.352748 S\n0.207910 0.594823 0.561228 S\n0.405177 0.792090 0.938772 S\n0.594823 0.207910 0.061228 S\n0.176473 0.024475 0.516491 S\n0.348742 0.186937 0.147252 S\n0.792090 0.405177 0.438772 S\n0.460307 0.625209 0.502055 S\n",
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{
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{
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{
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{
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