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{
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{
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"structure_string": "Pu2 Fe4\n1.0\n0.000000 3.401506 3.401506\n3.401506 0.000000 3.401506\n3.401506 3.401506 0.000000\nPu Fe\n2 4\ndirect\n0.250000 0.250000 0.250000 Pu\n0.000000 0.000000 0.000000 Pu\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.625000 0.625000 Fe\n",
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},
{
"id": "mp-474",
"created_at": "2022-09-04T14:44:02.974545Z",
"structure_string": "Er2 Fe4\n1.0\n0.000000 3.608464 3.608464\n3.608464 0.000000 3.608464\n3.608464 3.608464 0.000000\nEr Fe\n2 4\ndirect\n0.500000 0.500000 0.500000 Er\n0.750000 0.750000 0.750000 Er\n0.625000 0.125000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.125000 Fe\n",
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{
"id": "mp-30764",
"created_at": "2022-09-04T14:44:24.023483Z",
"structure_string": "Li2 Pt4\n1.0\n0.000000 3.725997 3.725997\n3.725997 0.000000 3.725997\n3.725997 3.725997 0.000000\nLi Pt\n2 4\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.125000 0.125000 0.125000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n",
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{
"id": "mp-1379819",
"created_at": "2022-09-04T14:44:04.200996Z",
"structure_string": "Y4 Fe4 O14\n1.0\n6.212260 0.000410 3.587563\n2.071193 5.856824 3.587472\n0.000755 0.000422 7.173819\nY Fe O\n4 4 14\ndirect\n0.500000 0.000001 0.500004 Y\n0.999999 0.499999 0.499997 Y\n0.499999 0.500004 0.000000 Y\n0.500003 0.500000 0.499998 Y\n0.000000 0.500000 0.000002 Fe\n0.499998 0.000002 0.999999 Fe\n0.000002 0.999997 0.500000 Fe\n0.999996 0.000003 0.000002 Fe\n0.624974 0.625002 0.624959 O\n0.375024 0.374999 0.375042 O\n0.333232 0.916779 0.916753 O\n0.083236 0.666730 0.666750 O\n0.916761 0.333257 0.916738 O\n0.916769 0.916776 0.333213 O\n0.333266 0.333259 0.916748 O\n0.333277 0.916780 0.333252 O\n0.916763 0.333263 0.333255 O\n0.666733 0.666742 0.083252 O\n0.083236 0.083223 0.666786 O\n0.666764 0.083219 0.083249 O\n0.666729 0.083224 0.666744 O\n0.083241 0.666745 0.083258 O\n",
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"elements": [
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"formula_full": "Y4 Fe4 O14",
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"spacegroup": 227
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{
"id": "mp-734713",
"created_at": "2022-09-04T14:44:04.243854Z",
"structure_string": "Mo24 P2 O80\n1.0\n0.000000 11.973154 11.973154\n11.973154 0.000000 11.973154\n11.973154 11.973154 0.000000\nMo P O\n24 2 80\ndirect\n0.246126 0.039184 0.468563 Mo\n0.246126 0.246126 0.468563 Mo\n0.039184 0.246126 0.468563 Mo\n0.246126 0.468563 0.039184 Mo\n0.039184 0.468563 0.246126 Mo\n0.246126 0.468563 0.246126 Mo\n0.468563 0.246126 0.246126 Mo\n0.468563 0.039184 0.246126 Mo\n0.468563 0.246126 0.039184 Mo\n0.039184 0.246126 0.246126 Mo\n0.246126 0.246126 0.039184 Mo\n0.246126 0.039184 0.246126 Mo\n0.003874 0.210816 0.781437 Mo\n0.003874 0.003874 0.781437 Mo\n0.210816 0.003874 0.781437 Mo\n0.003874 0.781437 0.210816 Mo\n0.210816 0.781437 0.003874 Mo\n0.003874 0.781437 0.003874 Mo\n0.781437 0.003874 0.003874 Mo\n0.781437 0.210816 0.003874 Mo\n0.781437 0.003874 0.210816 Mo\n0.210816 0.003874 0.003874 Mo\n0.003874 0.003874 0.210816 Mo\n0.003874 0.210816 0.003874 Mo\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 P\n0.212798 0.212798 0.361607 O\n0.212798 0.361607 0.212798 O\n0.361607 0.212798 0.212798 O\n0.212798 0.212798 0.212798 O\n0.037202 0.037202 0.888393 O\n0.037202 0.888393 0.037202 O\n0.888393 0.037202 0.037202 O\n0.037202 0.037202 0.037202 O\n0.376573 0.024748 0.222107 O\n0.376573 0.376573 0.222107 O\n0.024748 0.376573 0.222107 O\n0.376573 0.222107 0.024748 O\n0.024748 0.222107 0.376573 O\n0.376573 0.222107 0.376573 O\n0.222107 0.376573 0.376573 O\n0.222107 0.024748 0.376573 O\n0.222107 0.376573 0.024748 O\n0.024748 0.376573 0.376573 O\n0.376573 0.376573 0.024748 O\n0.376573 0.024748 0.376573 O\n0.873427 0.225252 0.027893 O\n0.873427 0.873427 0.027893 O\n0.225252 0.873427 0.027893 O\n0.873427 0.027893 0.225252 O\n0.225252 0.027893 0.873427 O\n0.873427 0.027893 0.873427 O\n0.027893 0.873427 0.873427 O\n0.027893 0.225252 0.873427 O\n0.027893 0.873427 0.225252 O\n0.225252 0.873427 0.873427 O\n0.873427 0.873427 0.225252 O\n0.873427 0.225252 0.873427 O\n0.108202 0.266400 0.517196 O\n0.108202 0.108202 0.517196 O\n0.266400 0.108202 0.517196 O\n0.108202 0.517196 0.266400 O\n0.266400 0.517196 0.108202 O\n0.108202 0.517196 0.108202 O\n0.517196 0.108202 0.108202 O\n0.517196 0.266400 0.108202 O\n0.517196 0.108202 0.266400 O\n0.266400 0.108202 0.108202 O\n0.108202 0.108202 0.266400 O\n0.108202 0.266400 0.108202 O\n0.141798 0.983600 0.732804 O\n0.141798 0.141798 0.732804 O\n0.983600 0.141798 0.732804 O\n0.141798 0.732804 0.983600 O\n0.983600 0.732804 0.141798 O\n0.141798 0.732804 0.141798 O\n0.732804 0.141798 0.141798 O\n0.732804 0.983600 0.141798 O\n0.732804 0.141798 0.983600 O\n0.983600 0.141798 0.141798 O\n0.141798 0.141798 0.983600 O\n0.141798 0.983600 0.141798 O\n0.258268 0.928159 0.555305 O\n0.258268 0.258268 0.555305 O\n0.928159 0.258268 0.555305 O\n0.258268 0.555305 0.928159 O\n0.928159 0.555305 0.258268 O\n0.258268 0.555305 0.258268 O\n0.555305 0.258268 0.258268 O\n0.555305 0.928159 0.258268 O\n0.555305 0.258268 0.928159 O\n0.928159 0.258268 0.258268 O\n0.258268 0.258268 0.928159 O\n0.258268 0.928159 0.258268 O\n0.991732 0.321841 0.694695 O\n0.991732 0.991732 0.694695 O\n0.321841 0.991732 0.694695 O\n0.991732 0.694695 0.321841 O\n0.321841 0.694695 0.991732 O\n0.991732 0.694695 0.991732 O\n0.694695 0.991732 0.991732 O\n0.694695 0.321841 0.991732 O\n0.694695 0.991732 0.321841 O\n0.321841 0.991732 0.991732 O\n0.991732 0.991732 0.321841 O\n0.991732 0.321841 0.991732 O\n",
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"formula_full": "Mo24 P2 O80",
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{
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"structure_string": "Ta4 Mn4 O14\n1.0\n5.182959 0.000000 5.182959\n0.000000 5.182959 -5.182959\n0.000000 5.182959 5.182959\nTa Mn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.250000 0.125000 0.125000 O\n0.750000 0.875000 0.875000 O\n0.357082 0.178541 0.571459 O\n0.750000 0.571459 0.571459 O\n0.750000 0.571459 0.178541 O\n0.750000 0.178541 0.178541 O\n0.750000 0.178541 0.571459 O\n0.857082 0.428541 0.821459 O\n0.142918 0.571459 0.178541 O\n0.250000 0.428541 0.428541 O\n0.250000 0.821459 0.428541 O\n0.250000 0.428541 0.821459 O\n0.250000 0.821459 0.821459 O\n0.642918 0.821459 0.428541 O\n",
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{
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"structure_string": "Lu4 Fe2 S8\n1.0\n0.000000 5.400976 5.400976\n5.400976 0.000000 5.400976\n5.400976 5.400976 0.000000\nLu Fe S\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Lu\n0.125000 0.125000 0.125000 Lu\n0.125000 0.625000 0.125000 Lu\n0.125000 0.125000 0.625000 Lu\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 Fe\n0.373099 0.373099 0.373099 S\n0.369298 0.876901 0.876901 S\n0.876901 0.876901 0.369298 S\n0.876901 0.369298 0.876901 S\n0.373099 0.373099 0.880702 S\n0.373099 0.880702 0.373099 S\n0.876901 0.876901 0.876901 S\n0.880702 0.373099 0.373099 S\n",
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{
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