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{
"id": "mp-561037",
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{
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"formula_full": "Nd2 B4 Ru4",
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{
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"structure_string": "Pu4 B16 Os4\n1.0\n5.992085 0.000000 0.000000\n0.000000 11.612736 0.000000\n0.000000 0.000000 3.539620\nPu B Os\n4 16 4\ndirect\n0.626411 0.350051 0.000000 Pu\n0.373589 0.649949 0.000000 Pu\n0.126411 0.149949 0.000000 Pu\n0.873589 0.850051 0.000000 Pu\n0.786537 0.187028 0.500000 B\n0.213463 0.812972 0.500000 B\n0.286537 0.312972 0.500000 B\n0.713463 0.687028 0.500000 B\n0.865107 0.031321 0.500000 B\n0.134893 0.968679 0.500000 B\n0.365107 0.468679 0.500000 B\n0.634893 0.531321 0.500000 B\n0.886051 0.453061 0.500000 B\n0.113949 0.546939 0.500000 B\n0.386051 0.046939 0.500000 B\n0.613949 0.953061 0.500000 B\n0.971443 0.308375 0.500000 B\n0.028557 0.691625 0.500000 B\n0.471443 0.191625 0.500000 B\n0.528557 0.808375 0.500000 B\n0.638140 0.092619 0.000000 Os\n0.361860 0.907381 0.000000 Os\n0.138140 0.407381 0.000000 Os\n0.861860 0.592619 0.000000 Os\n",
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{
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"created_at": "2022-09-04T14:41:03.166866Z",
"structure_string": "Gd4 Cu2 O8\n1.0\n3.909540 3.909271 0.000132\n3.909392 -3.909123 0.000002\n1.954667 1.954535 -5.986798\nGd Cu O\n4 2 8\ndirect\n0.150889 0.500000 0.698231 Gd\n0.349286 0.000000 0.301427 Gd\n0.849290 0.500000 0.301418 Gd\n0.650635 0.000000 0.698733 Gd\n0.499977 0.500002 0.000041 Cu\n0.999978 0.000001 0.000037 Cu\n0.999955 0.249981 0.500042 O\n0.500009 0.750014 0.500038 O\n0.500056 0.249990 0.499946 O\n0.000002 0.750014 0.499949 O\n0.249896 0.750123 0.000036 O\n0.750066 0.249875 0.000031 O\n0.249902 0.249874 0.000037 O\n0.750059 0.750126 0.000032 O\n",
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"spacegroup": 139
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{
"id": "mp-556721",
"created_at": "2022-09-04T14:41:02.434080Z",
"structure_string": "Ba10 Re6 Br2 O30\n1.0\n5.589299 -9.680950 0.000000\n5.589299 9.680950 0.000000\n0.000000 0.000000 7.955335\nBa Re Br O\n10 6 2 30\ndirect\n0.000000 0.268273 0.742954 Ba\n0.333333 0.666667 0.003412 Ba\n0.268273 0.268273 0.242954 Ba\n0.731727 0.731727 0.742954 Ba\n0.666667 0.333333 0.003412 Ba\n0.731727 0.000000 0.242954 Ba\n0.666667 0.333333 0.503412 Ba\n0.333333 0.666667 0.503412 Ba\n0.268273 0.000000 0.742954 Ba\n0.000000 0.731727 0.242954 Ba\n0.607790 0.607790 0.298801 Re\n0.607790 0.000000 0.798801 Re\n0.392210 0.000000 0.298801 Re\n0.000000 0.392210 0.298801 Re\n0.000000 0.607790 0.798801 Re\n0.392210 0.392210 0.798801 Re\n0.000000 0.000000 0.970652 Br\n0.000000 0.000000 0.470652 Br\n0.130312 0.552688 0.759729 O\n0.609734 0.868802 0.938741 O\n0.868802 0.259068 0.438741 O\n0.740932 0.609734 0.438741 O\n0.390266 0.259068 0.938741 O\n0.000000 0.299299 0.119914 O\n0.577623 0.447312 0.759729 O\n0.422377 0.869688 0.759729 O\n0.131198 0.740932 0.938741 O\n0.447312 0.869688 0.259729 O\n0.868802 0.609734 0.938741 O\n0.700701 0.000000 0.619914 O\n0.447312 0.577623 0.759729 O\n0.131198 0.390266 0.438741 O\n0.869688 0.422377 0.759729 O\n0.259068 0.868802 0.438741 O\n0.299299 0.000000 0.119914 O\n0.577623 0.130312 0.259729 O\n0.000000 0.700701 0.619914 O\n0.390266 0.131198 0.438741 O\n0.422377 0.552688 0.259729 O\n0.552688 0.422377 0.259729 O\n0.130312 0.577623 0.259729 O\n0.869688 0.447312 0.259729 O\n0.609734 0.740932 0.438741 O\n0.700701 0.700701 0.119914 O\n0.740932 0.131198 0.938741 O\n0.552688 0.130312 0.759729 O\n0.299299 0.299299 0.619914 O\n0.259068 0.390266 0.938741 O\n",
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"formula_full": "Ba10 Re6 Br2 O30",
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{
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{
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{
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{
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{
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"structure_string": "Pr2 Ta2 Cl2 O7\n1.0\n1.982373 7.815271 0.000000\n-1.982373 7.815271 0.000000\n0.000000 2.801640 6.386775\nPr Ta Cl O\n2 2 2 7\ndirect\n0.691726 0.691726 0.835076 Pr\n0.308274 0.308274 0.164924 Pr\n0.034334 0.034334 0.201562 Ta\n0.965666 0.965666 0.798438 Ta\n0.321381 0.321381 0.565899 Cl\n0.678619 0.678619 0.434101 Cl\n0.544555 0.544555 0.165146 O\n0.455445 0.455445 0.834854 O\n0.080258 0.080258 0.847607 O\n0.000000 0.000000 0.500000 O\n0.173596 0.173596 0.070171 O\n0.919742 0.919742 0.152393 O\n0.826404 0.826404 0.929829 O\n",
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{
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}