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{
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{
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{
"id": "mp-1036956",
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"structure_string": "Mg30 Si1 Ni1 O32\n1.0\n8.540295 0.000000 0.000000\n0.000000 8.540295 0.000000\n0.000000 0.000000 8.542326\nMg Si Ni O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248210 0.248210 0.000000 Mg\n0.248210 0.751790 0.000000 Mg\n0.751790 0.248210 0.000000 Mg\n0.751790 0.751790 0.000000 Mg\n0.249846 0.249846 0.500000 Mg\n0.249846 0.750154 0.500000 Mg\n0.750154 0.249846 0.500000 Mg\n0.750154 0.750154 0.500000 Mg\n0.000000 0.249516 0.249455 Mg\n0.000000 0.750484 0.249455 Mg\n0.500000 0.248739 0.251139 Mg\n0.500000 0.751261 0.251139 Mg\n0.000000 0.249516 0.750545 Mg\n0.000000 0.750484 0.750545 Mg\n0.500000 0.248739 0.748861 Mg\n0.500000 0.751261 0.748861 Mg\n0.249516 0.000000 0.249455 Mg\n0.248739 0.500000 0.251139 Mg\n0.750484 0.000000 0.249455 Mg\n0.751261 0.500000 0.251139 Mg\n0.249516 0.000000 0.750545 Mg\n0.248739 0.500000 0.748861 Mg\n0.750484 0.000000 0.750545 Mg\n0.751261 0.500000 0.748861 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.250635 O\n0.000000 0.500000 0.251078 O\n0.500000 0.000000 0.251078 O\n0.500000 0.500000 0.259696 O\n0.000000 0.000000 0.749365 O\n0.000000 0.500000 0.748922 O\n0.500000 0.000000 0.748922 O\n0.500000 0.500000 0.740304 O\n0.250137 0.250137 0.249444 O\n0.250137 0.749863 0.249444 O\n0.749863 0.250137 0.249444 O\n0.749863 0.749863 0.249444 O\n0.250137 0.250137 0.750556 O\n0.250137 0.749863 0.750556 O\n0.749863 0.250137 0.750556 O\n0.749863 0.749863 0.750556 O\n0.000000 0.250243 0.000000 O\n0.000000 0.749757 0.000000 O\n0.500000 0.240593 0.000000 O\n0.500000 0.759407 0.000000 O\n0.000000 0.249520 0.500000 O\n0.000000 0.750480 0.500000 O\n0.500000 0.248920 0.500000 O\n0.500000 0.751080 0.500000 O\n0.250243 0.000000 0.000000 O\n0.240593 0.500000 0.000000 O\n0.749757 0.000000 0.000000 O\n0.759407 0.500000 0.000000 O\n0.249520 0.000000 0.500000 O\n0.248920 0.500000 0.500000 O\n0.750480 0.000000 0.500000 O\n0.751080 0.500000 0.500000 O\n",
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"formula_full": "Mg30 Si1 Ni1 O32",
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{
"id": "mp-569657",
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"structure_string": "Sm1 Al2 Zn2\n1.0\n-2.083519 2.083519 5.499528\n2.083519 -2.083519 5.499528\n2.083519 2.083519 -5.499528\nSm Al Zn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.610389 0.610389 0.000000 Zn\n0.389611 0.389611 0.000000 Zn\n",
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{
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"structure_string": "Be4 Tl4 Zn2 O12 F16\n1.0\n13.822849 0.000000 0.000000\n0.000000 5.308837 0.000000\n0.000000 1.532479 7.344720\nBe Tl Zn O F\n4 4 2 12 16\ndirect\n0.114206 0.300034 0.401484 Be\n0.885794 0.699966 0.598516 Be\n0.614206 0.699966 0.098516 Be\n0.385794 0.300034 0.901484 Be\n0.814193 0.193679 0.352353 Tl\n0.185807 0.806321 0.647647 Tl\n0.314193 0.806321 0.147647 Tl\n0.685807 0.193679 0.852353 Tl\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.160567 0.764580 0.068692 O\n0.839433 0.235420 0.931308 O\n0.660567 0.235420 0.431308 O\n0.339433 0.764580 0.568692 O\n0.356918 0.613497 0.445125 O\n0.643082 0.386503 0.554875 O\n0.856918 0.386503 0.054875 O\n0.143082 0.613497 0.945125 O\n0.033721 0.080820 0.988458 O\n0.966279 0.919180 0.011542 O\n0.533721 0.919180 0.511542 O\n0.466279 0.080820 0.488458 O\n0.151382 0.562269 0.437330 F\n0.848618 0.437731 0.562670 F\n0.651382 0.437731 0.062670 F\n0.348618 0.562269 0.937330 F\n0.420113 0.134066 0.092777 F\n0.579887 0.865934 0.907223 F\n0.920113 0.865934 0.407223 F\n0.079887 0.134066 0.592777 F\n0.025880 0.358430 0.264547 F\n0.974120 0.641570 0.735453 F\n0.525880 0.641570 0.235453 F\n0.474120 0.358430 0.764547 F\n0.196673 0.133592 0.340559 F\n0.803327 0.866408 0.659441 F\n0.696673 0.866408 0.159441 F\n0.303327 0.133592 0.840559 F\n",
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{
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{
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{
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