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{
"id": "mp-18138",
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"structure_string": "K8 W4 Se16\n1.0\n7.286238 0.000000 0.000000\n0.000000 10.013776 0.000000\n0.000000 0.000000 12.881120\nK W Se\n8 4 16\ndirect\n0.750000 0.048602 0.155341 K\n0.250000 0.951398 0.844659 K\n0.750000 0.548602 0.344659 K\n0.250000 0.451398 0.655341 K\n0.750000 0.347266 0.886713 K\n0.250000 0.652734 0.113287 K\n0.750000 0.847266 0.613287 K\n0.250000 0.152734 0.386713 K\n0.750000 0.752675 0.933130 W\n0.250000 0.747325 0.433130 W\n0.750000 0.252675 0.566870 W\n0.250000 0.247325 0.066870 W\n0.250000 0.277977 0.886524 Se\n0.250000 0.777977 0.613476 Se\n0.750000 0.222023 0.386524 Se\n0.750000 0.480661 0.611216 Se\n0.750000 0.980661 0.888784 Se\n0.250000 0.019339 0.111216 Se\n0.491974 0.148786 0.637214 Se\n0.250000 0.519339 0.388784 Se\n0.008026 0.648786 0.862786 Se\n0.508026 0.351214 0.137214 Se\n0.008026 0.148786 0.637214 Se\n0.991974 0.851214 0.362786 Se\n0.991974 0.351214 0.137214 Se\n0.491974 0.648786 0.862786 Se\n0.508026 0.851214 0.362786 Se\n0.750000 0.722023 0.113476 Se\n",
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{
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"structure_string": "Al4 Fe4 O12\n1.0\n4.868112 0.000063 0.000002\n0.000066 5.121179 0.000003\n0.000002 0.000004 7.339769\nAl Fe O\n4 4 12\ndirect\n0.000000 0.500001 0.000000 Al\n0.000000 0.500001 0.500000 Al\n0.500001 0.000000 0.000000 Al\n0.500001 0.000000 0.500000 Al\n0.476285 0.436926 0.750002 Fe\n0.523715 0.563071 0.249999 Fe\n0.023741 0.936918 0.750003 Fe\n0.976260 0.063076 0.250000 Fe\n0.138329 0.436511 0.250000 O\n0.361672 0.936500 0.250000 O\n0.638328 0.063502 0.750000 O\n0.861671 0.563489 0.749999 O\n0.190029 0.193649 0.571665 O\n0.190029 0.193648 0.928336 O\n0.309977 0.693647 0.928332 O\n0.309976 0.693648 0.571667 O\n0.690023 0.306353 0.071668 O\n0.690023 0.306354 0.428333 O\n0.809970 0.806353 0.071663 O\n0.809971 0.806353 0.428335 O\n",
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"formula_full": "Al4 Fe4 O12",
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{
"id": "mp-1013864",
"created_at": "2022-09-04T14:43:15.442935Z",
"structure_string": "Na12 Fe8 Ge12 O48\n1.0\n-6.202114 6.202114 6.202114\n6.202114 -6.202114 6.202114\n6.202114 6.202114 -6.202114\nNa Fe Ge O\n12 8 12 48\ndirect\n0.750000 0.625000 0.875000 Na\n0.250000 0.875000 0.625000 Na\n0.625000 0.250000 0.875000 Na\n0.875000 0.750000 0.625000 Na\n0.875000 0.625000 0.250000 Na\n0.625000 0.875000 0.750000 Na\n0.250000 0.375000 0.125000 Na\n0.750000 0.125000 0.375000 Na\n0.375000 0.750000 0.125000 Na\n0.125000 0.250000 0.375000 Na\n0.125000 0.375000 0.750000 Na\n0.375000 0.125000 0.250000 Na\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.512440 0.397857 0.816879 O\n0.816879 0.512440 0.397857 O\n0.804439 0.885417 0.987560 O\n0.419022 0.102143 0.614583 O\n0.885417 0.397857 0.080978 O\n0.683121 0.080978 0.695561 O\n0.816879 0.804439 0.419022 O\n0.397857 0.816879 0.512440 O\n0.614583 0.695561 0.512440 O\n0.419022 0.816879 0.804439 O\n0.397857 0.080978 0.885417 O\n0.102143 0.987560 0.683121 O\n0.987560 0.683121 0.102143 O\n0.804439 0.419022 0.816879 O\n0.512440 0.614583 0.695561 O\n0.695561 0.512440 0.614583 O\n0.080978 0.885417 0.397857 O\n0.987560 0.804439 0.885417 O\n0.080978 0.695561 0.683121 O\n0.385417 0.304439 0.487560 O\n0.614583 0.419022 0.102143 O\n0.102143 0.614583 0.419022 O\n0.695561 0.683121 0.080978 O\n0.683121 0.102143 0.987560 O\n0.487560 0.602143 0.183121 O\n0.183121 0.487560 0.602143 O\n0.195561 0.114583 0.012440 O\n0.580978 0.897857 0.385417 O\n0.114583 0.602143 0.919022 O\n0.316879 0.919022 0.304439 O\n0.183121 0.195561 0.580978 O\n0.602143 0.183121 0.487560 O\n0.316879 0.897857 0.012440 O\n0.304439 0.316879 0.919022 O\n0.897857 0.385417 0.580978 O\n0.114583 0.012440 0.195561 O\n0.385417 0.580978 0.897857 O\n0.919022 0.304439 0.316879 O\n0.012440 0.195561 0.114583 O\n0.919022 0.114583 0.602143 O\n0.304439 0.487560 0.385417 O\n0.487560 0.385417 0.304439 O\n0.195561 0.580978 0.183121 O\n0.012440 0.316879 0.897857 O\n0.897857 0.012440 0.316879 O\n0.602143 0.919022 0.114583 O\n0.580978 0.183121 0.195561 O\n0.885417 0.987560 0.804439 O\n",
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"density_atomic": 0.08383218035077682,
"volume": 954.2874784510922,
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"formula_full": "Na12 Fe8 Ge12 O48",
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{
"id": "mp-999193",
"created_at": "2022-09-04T14:43:15.447202Z",
"structure_string": "Sm2 Au2\n1.0\n1.942700 -5.594068 0.000000\n1.942700 5.594068 0.000000\n0.000000 0.000000 4.726217\nSm Au\n2 2\ndirect\n0.862223 0.137777 0.750000 Sm\n0.137777 0.862223 0.250000 Sm\n0.587889 0.412111 0.750000 Au\n0.412111 0.587889 0.250000 Au\n",
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{
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{
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"structure_string": "Mg12 Zn2 Cr2\n1.0\n4.949316 0.000000 0.000000\n0.000000 6.194189 0.000000\n0.000000 0.000000 10.689040\nMg Zn Cr\n12 2 2\ndirect\n0.000000 0.743745 0.912960 Mg\n0.000000 0.256255 0.912960 Mg\n0.000000 0.500000 0.166916 Mg\n0.500000 0.756033 0.085025 Mg\n0.500000 0.243967 0.085025 Mg\n0.500000 0.500000 0.333827 Mg\n0.000000 0.243745 0.412960 Mg\n0.000000 0.756255 0.412960 Mg\n0.000000 0.000000 0.666916 Mg\n0.500000 0.256033 0.585025 Mg\n0.500000 0.743967 0.585025 Mg\n0.500000 0.000000 0.833827 Mg\n0.000000 0.500000 0.672385 Zn\n0.000000 0.000000 0.172385 Zn\n0.500000 0.500000 0.830902 Cr\n0.500000 0.000000 0.330902 Cr\n",
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{
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{
"id": "mp-768505",
"created_at": "2022-09-04T14:43:15.431163Z",
"structure_string": "Lu6 Ga6 O18\n1.0\n3.000085 -5.196299 0.000000\n3.000085 5.196299 0.000000\n0.000000 0.000000 11.670759\nLu Ga O\n6 6 18\ndirect\n0.333333 0.666667 0.231963 Lu\n0.000000 0.000000 0.272453 Lu\n0.000000 0.000000 0.772453 Lu\n0.333333 0.666667 0.731963 Lu\n0.666667 0.333333 0.731963 Lu\n0.666667 0.333333 0.231963 Lu\n0.000000 0.665940 0.498689 Ga\n0.000000 0.334060 0.998689 Ga\n0.334060 0.334060 0.498689 Ga\n0.665940 0.665940 0.998689 Ga\n0.334060 0.000000 0.998689 Ga\n0.665940 0.000000 0.498689 Ga\n0.000000 0.693833 0.663689 O\n0.000000 0.639507 0.335236 O\n0.000000 0.360493 0.835236 O\n0.000000 0.306167 0.163689 O\n0.333333 0.666667 0.020225 O\n0.000000 0.000000 0.473605 O\n0.000000 0.000000 0.973605 O\n0.333333 0.666667 0.520225 O\n0.306167 0.306167 0.663689 O\n0.360493 0.360493 0.335236 O\n0.306167 0.000000 0.163689 O\n0.639507 0.639507 0.835236 O\n0.693833 0.693833 0.163689 O\n0.360493 0.000000 0.835236 O\n0.666667 0.333333 0.520225 O\n0.666667 0.333333 0.020225 O\n0.639507 0.000000 0.335236 O\n0.693833 0.000000 0.663689 O\n",
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"formula_full": "Lu6 Ga6 O18",
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{
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{
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"structure_string": "Mg12 Zr2 W2\n1.0\n4.942009 0.000000 0.000000\n0.000000 6.079064 0.000000\n0.000000 0.000000 11.148531\nMg Zr W\n12 2 2\ndirect\n0.000000 0.256270 0.070839 Mg\n0.000000 0.743730 0.070839 Mg\n0.000000 0.000000 0.328563 Mg\n0.500000 0.746804 0.427741 Mg\n0.500000 0.253196 0.427741 Mg\n0.500000 0.000000 0.175336 Mg\n0.000000 0.756270 0.570839 Mg\n0.000000 0.243730 0.570839 Mg\n0.000000 0.500000 0.828563 Mg\n0.500000 0.246804 0.927741 Mg\n0.500000 0.753196 0.927741 Mg\n0.500000 0.500000 0.675336 Mg\n0.000000 0.500000 0.300493 Zr\n0.000000 0.000000 0.800493 Zr\n0.500000 0.500000 0.198447 W\n0.500000 0.000000 0.698447 W\n",
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