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{
"id": "mp-1247431",
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"structure_string": "Te12 Ru16 N8\n1.0\n6.406126 0.000000 0.000000\n0.000000 11.138857 0.000000\n0.000000 0.000000 9.164809\nTe Ru N\n12 16 8\ndirect\n0.853698 0.250000 0.159743 Te\n0.353698 0.250000 0.340257 Te\n0.146302 0.750000 0.840257 Te\n0.646302 0.750000 0.659743 Te\n0.557780 0.577777 0.320747 Te\n0.057780 0.922223 0.179253 Te\n0.442220 0.077777 0.679253 Te\n0.942220 0.422223 0.820747 Te\n0.442220 0.422223 0.679253 Te\n0.942220 0.077777 0.820747 Te\n0.557780 0.922223 0.320747 Te\n0.057780 0.577777 0.179253 Te\n0.610321 0.250000 0.908093 Ru\n0.110321 0.250000 0.591907 Ru\n0.389679 0.750000 0.091907 Ru\n0.889679 0.750000 0.408093 Ru\n0.753899 0.250000 0.436066 Ru\n0.253899 0.250000 0.063934 Ru\n0.246101 0.750000 0.563934 Ru\n0.746101 0.750000 0.936066 Ru\n0.682927 0.467820 0.065423 Ru\n0.182927 0.032180 0.434577 Ru\n0.317073 0.967820 0.934577 Ru\n0.817073 0.532180 0.565423 Ru\n0.317073 0.532180 0.934577 Ru\n0.817073 0.967820 0.565423 Ru\n0.682927 0.032180 0.065423 Ru\n0.182927 0.467820 0.434577 Ru\n0.572585 0.622056 0.995471 N\n0.072585 0.877944 0.504529 N\n0.427415 0.122056 0.004529 N\n0.927415 0.377944 0.495471 N\n0.427415 0.377944 0.004529 N\n0.927415 0.122056 0.495471 N\n0.572585 0.877944 0.995471 N\n0.072585 0.622056 0.504529 N\n",
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{
"id": "mp-1218923",
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"structure_string": "Sr20 P12 Br1 Cl3 O48\n1.0\n5.019936 -8.694783 0.000000\n5.019936 8.694783 0.000000\n0.000000 0.000000 14.547013\nSr P Br Cl O\n20 12 1 3 48\ndirect\n0.333333 0.666667 0.499626 Sr\n0.333333 0.666667 0.999664 Sr\n0.666667 0.333333 0.749626 Sr\n0.666667 0.333333 0.249650 Sr\n0.666667 0.333333 0.500374 Sr\n0.666667 0.333333 0.000336 Sr\n0.333333 0.666667 0.250374 Sr\n0.333333 0.666667 0.750350 Sr\n0.251156 0.993385 0.374984 Sr\n0.253289 0.993146 0.873914 Sr\n0.742228 0.748844 0.374984 Sr\n0.739857 0.746711 0.873914 Sr\n0.006615 0.257772 0.374984 Sr\n0.006854 0.260143 0.873914 Sr\n0.748844 0.006615 0.625016 Sr\n0.746711 0.006854 0.126086 Sr\n0.257772 0.251156 0.625016 Sr\n0.260143 0.253289 0.126086 Sr\n0.993385 0.742228 0.625016 Sr\n0.993146 0.739857 0.126086 Sr\n0.966264 0.592702 0.375090 P\n0.966189 0.592790 0.875034 P\n0.626438 0.033736 0.375090 P\n0.626602 0.033811 0.875034 P\n0.407298 0.373562 0.375090 P\n0.407210 0.373398 0.875034 P\n0.033736 0.407298 0.624910 P\n0.033811 0.407210 0.124966 P\n0.373562 0.966264 0.624910 P\n0.373398 0.966189 0.124966 P\n0.592702 0.626438 0.624910 P\n0.592790 0.626602 0.124966 P\n0.000000 0.000000 0.000000 Br\n0.000000 0.000000 0.749463 Cl\n0.000000 0.000000 0.250537 Cl\n0.000000 0.000000 0.500000 Cl\n0.877933 0.412509 0.375008 O\n0.877732 0.412531 0.874860 O\n0.534576 0.122067 0.375008 O\n0.534799 0.122268 0.874860 O\n0.587491 0.465424 0.375008 O\n0.587469 0.465201 0.874860 O\n0.122067 0.587491 0.624992 O\n0.122268 0.587469 0.125140 O\n0.465424 0.877933 0.624992 O\n0.465201 0.877732 0.125140 O\n0.412509 0.534576 0.624992 O\n0.412531 0.534799 0.125140 O\n0.914685 0.646123 0.461539 O\n0.914421 0.645371 0.961646 O\n0.731438 0.085315 0.461539 O\n0.730950 0.085579 0.961646 O\n0.353877 0.268562 0.461539 O\n0.354629 0.269050 0.961646 O\n0.085413 0.353985 0.711387 O\n0.085307 0.353899 0.211543 O\n0.268572 0.914587 0.711387 O\n0.268593 0.914693 0.211543 O\n0.646015 0.731428 0.711387 O\n0.646101 0.731407 0.211543 O\n0.085315 0.353877 0.538461 O\n0.085579 0.354629 0.038354 O\n0.268562 0.914685 0.538461 O\n0.269050 0.914421 0.038354 O\n0.646123 0.731438 0.538461 O\n0.645371 0.730950 0.038354 O\n0.914587 0.646015 0.288613 O\n0.914693 0.646101 0.788457 O\n0.731428 0.085413 0.288613 O\n0.731407 0.085307 0.788457 O\n0.353985 0.268572 0.288613 O\n0.353899 0.268593 0.788457 O\n0.143669 0.658059 0.374998 O\n0.143648 0.657943 0.874924 O\n0.514389 0.856331 0.374998 O\n0.514295 0.856352 0.874924 O\n0.341941 0.485611 0.374998 O\n0.342057 0.485705 0.874924 O\n0.856331 0.341941 0.625002 O\n0.856352 0.342057 0.125076 O\n0.485611 0.143669 0.625002 O\n0.485705 0.143648 0.125076 O\n0.658059 0.514389 0.625002 O\n0.657943 0.514295 0.125076 O\n",
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"formula_full": "Sr20 P12 Br1 Cl3 O48",
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{
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"structure_string": "Nd1 Al3 Ni2\n1.0\n2.675050 -4.633323 0.000000\n2.675050 4.633323 0.000000\n0.000000 0.000000 4.012136\nNd Al Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n",
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{
"id": "mp-1372438",
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"structure_string": "Mg4 Ti8 O16\n1.0\n5.019709 0.000000 0.000000\n0.000000 5.804553 0.000000\n0.000000 0.000000 10.526777\nMg Ti O\n4 8 16\ndirect\n0.335095 0.000000 0.500000 Mg\n0.664905 0.500000 0.000000 Mg\n0.027003 0.000000 0.000000 Mg\n0.972997 0.500000 0.500000 Mg\n0.033772 0.500000 0.236802 Ti\n0.033772 0.500000 0.763198 Ti\n0.966228 0.000000 0.263198 Ti\n0.966228 0.000000 0.736802 Ti\n0.500000 0.250000 0.250000 Ti\n0.500000 0.750000 0.750000 Ti\n0.500000 0.750000 0.250000 Ti\n0.500000 0.250000 0.750000 Ti\n0.363349 0.500000 0.131652 O\n0.363349 0.500000 0.868348 O\n0.636651 0.000000 0.368348 O\n0.636651 0.000000 0.631652 O\n0.688147 0.500000 0.348612 O\n0.688147 0.500000 0.651388 O\n0.311853 0.000000 0.151388 O\n0.311853 0.000000 0.848612 O\n0.160254 0.251307 0.367170 O\n0.160254 0.748693 0.632830 O\n0.839746 0.751307 0.132830 O\n0.839746 0.248693 0.867170 O\n0.839746 0.248693 0.132830 O\n0.839746 0.751307 0.867170 O\n0.160254 0.748693 0.367170 O\n0.160254 0.251307 0.632830 O\n",
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{
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"structure_string": "In1 Ge2 Sb1 Te5\n1.0\n2.132274 -3.693206 0.000000\n2.132274 3.693206 0.000000\n0.000000 0.000000 17.830967\nIn Ge Sb Te\n1 2 1 5\ndirect\n0.333333 0.666667 0.113558 In\n0.000000 0.000000 0.330710 Ge\n0.000000 0.000000 0.669178 Ge\n0.666667 0.333333 0.890200 Sb\n0.333333 0.666667 0.410636 Te\n0.666667 0.333333 0.588709 Te\n0.000000 0.000000 0.003345 Te\n0.333333 0.666667 0.792007 Te\n0.666667 0.333333 0.201658 Te\n",
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{
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{
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{
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