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{
"id": "mp-672248",
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{
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"formula_full": "Sm3 Ag4 Sn4",
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{
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"structure_string": "K2 Dy1 Cu1 Cl6\n1.0\n0.000000 5.173703 5.173703\n5.173703 0.000000 5.173703\n5.173703 5.173703 0.000000\nK Dy Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Cu\n0.745880 0.254120 0.254120 Cl\n0.254120 0.254120 0.745880 Cl\n0.254120 0.745880 0.745880 Cl\n0.254120 0.745880 0.254120 Cl\n0.745880 0.254120 0.745880 Cl\n0.745880 0.745880 0.254120 Cl\n",
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"formula_full": "K2 Dy1 Cu1 Cl6",
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{
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{
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"structure_string": "Rb2 Cl2 O8\n1.0\n5.022077 0.000000 0.000000\n-0.002654 5.037557 0.000000\n-0.002967 -0.011273 5.560355\nRb Cl O\n2 2 8\ndirect\n0.002849 0.000018 0.498532 Rb\n0.491674 0.506581 0.000659 Rb\n0.998282 0.002282 0.998087 Cl\n0.501746 0.500975 0.500324 Cl\n0.746474 0.001939 0.867924 O\n0.251436 0.002053 0.870534 O\n0.997719 0.751346 0.127411 O\n0.998111 0.252713 0.128786 O\n0.503893 0.251216 0.367427 O\n0.247722 0.498485 0.626197 O\n0.751074 0.499650 0.633751 O\n0.502814 0.754074 0.374522 O\n",
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"volume": 140.67141639583963,
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{
"id": "mp-1113288",
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"structure_string": "Rb2 Er1 Cu1 Cl6\n1.0\n0.000000 5.180207 5.180207\n5.180207 0.000000 5.180207\n5.180207 5.180207 0.000000\nRb Er Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cu\n0.747603 0.252397 0.252397 Cl\n0.252397 0.252397 0.747603 Cl\n0.252397 0.747603 0.747603 Cl\n0.252397 0.747603 0.252397 Cl\n0.747603 0.252397 0.747603 Cl\n0.747603 0.747603 0.252397 Cl\n",
"nsites": 10,
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"spacegroup": 225
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{
"id": "mp-1112430",
"created_at": "2022-09-04T14:48:28.447143Z",
"structure_string": "Rb2 Sm1 Cu1 Cl6\n1.0\n0.000000 5.262892 5.262892\n5.262892 0.000000 5.262892\n5.262892 5.262892 0.000000\nRb Sm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Cu\n0.743701 0.256299 0.256299 Cl\n0.256299 0.256299 0.743701 Cl\n0.256299 0.743701 0.743701 Cl\n0.256299 0.743701 0.256299 Cl\n0.743701 0.256299 0.743701 Cl\n0.743701 0.743701 0.256299 Cl\n",
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"formula_full": "Rb2 Sm1 Cu1 Cl6",
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{
"id": "mp-570227",
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"structure_string": "Be24 Cl48\n1.0\n-9.894357 9.894357 9.894357\n9.894357 -9.894357 9.894357\n9.894357 9.894357 -9.894357\nBe Cl\n24 48\ndirect\n0.643970 0.124028 0.384807 Be\n0.356030 0.480058 0.740836 Be\n0.124028 0.643970 0.384807 Be\n0.480058 0.740836 0.356030 Be\n0.739221 0.259164 0.615193 Be\n0.643970 0.384807 0.124028 Be\n0.260779 0.519942 0.875972 Be\n0.124028 0.384807 0.643970 Be\n0.519942 0.875972 0.260779 Be\n0.519942 0.260779 0.875972 Be\n0.259164 0.739221 0.615193 Be\n0.740836 0.356030 0.480058 Be\n0.259164 0.615193 0.739221 Be\n0.384807 0.643970 0.124028 Be\n0.260779 0.875972 0.519942 Be\n0.875972 0.519942 0.260779 Be\n0.356030 0.740836 0.480058 Be\n0.739221 0.615193 0.259164 Be\n0.384807 0.124028 0.643970 Be\n0.875972 0.260779 0.519942 Be\n0.615193 0.739221 0.259164 Be\n0.480058 0.356030 0.740836 Be\n0.615193 0.259164 0.739221 Be\n0.740836 0.480058 0.356030 Be\n0.130454 0.500000 0.630454 Cl\n0.132017 0.401760 0.770240 Cl\n0.229760 0.361777 0.631520 Cl\n0.368480 0.730257 0.598240 Cl\n0.869546 0.369546 0.500000 Cl\n0.000000 0.263901 0.532936 Cl\n0.730964 0.467064 0.467064 Cl\n0.532936 0.000000 0.263901 Cl\n0.229760 0.631520 0.361777 Cl\n0.631520 0.229760 0.361777 Cl\n0.263901 0.532936 0.000000 Cl\n0.132017 0.770240 0.401760 Cl\n0.467064 0.730964 0.467064 Cl\n0.361777 0.631520 0.229760 Cl\n0.269743 0.867983 0.638223 Cl\n0.269036 0.736099 0.736099 Cl\n0.401760 0.132017 0.770240 Cl\n0.500000 0.630454 0.130454 Cl\n0.532936 0.263901 0.000000 Cl\n0.269743 0.638223 0.867983 Cl\n0.770240 0.132017 0.401760 Cl\n0.869546 0.500000 0.369546 Cl\n0.630454 0.130454 0.500000 Cl\n0.631520 0.361777 0.229760 Cl\n0.263901 0.000000 0.532936 Cl\n0.598240 0.368480 0.730257 Cl\n0.500000 0.369546 0.869546 Cl\n0.368480 0.598240 0.730257 Cl\n0.500000 0.869546 0.369546 Cl\n0.361777 0.229760 0.631520 Cl\n0.730257 0.368480 0.598240 Cl\n0.369546 0.500000 0.869546 Cl\n0.867983 0.638223 0.269743 Cl\n0.630454 0.500000 0.130454 Cl\n0.000000 0.532936 0.263901 Cl\n0.736099 0.269036 0.736099 Cl\n0.770240 0.401760 0.132017 Cl\n0.638223 0.867983 0.269743 Cl\n0.500000 0.130454 0.630454 Cl\n0.401760 0.770240 0.132017 Cl\n0.867983 0.269743 0.638223 Cl\n0.130454 0.630454 0.500000 Cl\n0.467064 0.467064 0.730964 Cl\n0.598240 0.730257 0.368480 Cl\n0.736099 0.736099 0.269036 Cl\n0.638223 0.269743 0.867983 Cl\n0.730257 0.598240 0.368480 Cl\n0.369546 0.869546 0.500000 Cl\n",
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{
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"structure_string": "Na3 Tl1 F6\n1.0\n0.000000 4.376107 4.376107\n4.376107 0.000000 4.376107\n4.376107 4.376107 0.000000\nNa Tl F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.248114 0.248114 0.751886 F\n0.248114 0.751886 0.751886 F\n0.751886 0.751886 0.248114 F\n0.248114 0.751886 0.248114 F\n0.751886 0.248114 0.751886 F\n0.751886 0.248114 0.248114 F\n",
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{
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"structure_string": "Rb8 Fe4 H8 Cl20 O4\n1.0\n7.208394 0.000000 0.000000\n0.000000 10.018569 0.000000\n0.000000 0.000000 14.054439\nRb Fe H Cl O\n8 4 8 20 4\ndirect\n0.344513 0.500096 0.856578 Rb\n0.155487 0.999904 0.356578 Rb\n0.655487 0.000096 0.143422 Rb\n0.844513 0.499904 0.643422 Rb\n0.655487 0.499904 0.143422 Rb\n0.844513 0.000096 0.643422 Rb\n0.344513 0.999904 0.856578 Rb\n0.155487 0.500096 0.356578 Rb\n0.309336 0.250000 0.614591 Fe\n0.190664 0.250000 0.114591 Fe\n0.690664 0.750000 0.385409 Fe\n0.809336 0.750000 0.885409 Fe\n0.547131 0.330297 0.464611 H\n0.952869 0.169703 0.964611 H\n0.452869 0.830297 0.535389 H\n0.047131 0.669703 0.035389 H\n0.452869 0.669703 0.535389 H\n0.047131 0.830297 0.035389 H\n0.547131 0.169703 0.464611 H\n0.952869 0.330297 0.964611 H\n0.101744 0.250000 0.745577 Cl\n0.398256 0.250000 0.245577 Cl\n0.898256 0.750000 0.254423 Cl\n0.601744 0.750000 0.754423 Cl\n0.569133 0.250000 0.720691 Cl\n0.930867 0.250000 0.220691 Cl\n0.430867 0.750000 0.279309 Cl\n0.069133 0.750000 0.779309 Cl\n0.046858 0.250000 0.506528 Cl\n0.453142 0.250000 0.006528 Cl\n0.953142 0.750000 0.493472 Cl\n0.546858 0.750000 0.993472 Cl\n0.323610 0.491047 0.603697 Cl\n0.176390 0.008953 0.103697 Cl\n0.676390 0.991047 0.396303 Cl\n0.823610 0.508953 0.896303 Cl\n0.676390 0.508953 0.396303 Cl\n0.823610 0.991047 0.896303 Cl\n0.323610 0.008953 0.603697 Cl\n0.176390 0.491047 0.103697 Cl\n0.493702 0.250000 0.495029 O\n0.006298 0.250000 0.995029 O\n0.506298 0.750000 0.504971 O\n0.993702 0.750000 0.004971 O\n",
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{
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}