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{
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{
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{
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"structure_string": "Pr12 Lu8 Ga12 O48\n1.0\n-6.527948 6.527948 6.527948\n6.527948 -6.527948 6.527948\n6.527948 6.527948 -6.527948\nPr Lu Ga O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Pr\n0.750000 0.625000 0.875000 Pr\n0.750000 0.125000 0.375000 Pr\n0.125000 0.250000 0.375000 Pr\n0.375000 0.750000 0.125000 Pr\n0.250000 0.875000 0.625000 Pr\n0.875000 0.750000 0.625000 Pr\n0.625000 0.250000 0.875000 Pr\n0.375000 0.125000 0.250000 Pr\n0.625000 0.875000 0.750000 Pr\n0.125000 0.375000 0.750000 Pr\n0.875000 0.625000 0.250000 Pr\n0.000000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.474042 0.374984 0.286846 O\n0.525958 0.625016 0.713154 O\n0.588137 0.187195 0.213154 O\n0.911863 0.125016 0.599058 O\n0.286846 0.474042 0.374984 O\n0.312805 0.911863 0.286846 O\n0.411863 0.812805 0.786846 O\n0.088137 0.874984 0.400942 O\n0.713154 0.525958 0.625016 O\n0.687195 0.088137 0.713154 O\n0.025958 0.312805 0.900942 O\n0.213154 0.588137 0.187195 O\n0.125016 0.025958 0.213154 O\n0.974042 0.687195 0.099058 O\n0.786846 0.411863 0.812805 O\n0.874984 0.974042 0.786846 O\n0.599058 0.911863 0.125016 O\n0.187195 0.474042 0.599058 O\n0.400942 0.088137 0.874984 O\n0.812805 0.525958 0.400942 O\n0.900942 0.025958 0.312805 O\n0.374984 0.588137 0.900942 O\n0.099058 0.974042 0.687195 O\n0.625016 0.411863 0.099058 O\n0.374984 0.286846 0.474042 O\n0.588137 0.900942 0.374984 O\n0.625016 0.713154 0.525958 O\n0.411863 0.099058 0.625016 O\n0.125016 0.599058 0.911863 O\n0.025958 0.213154 0.125016 O\n0.874984 0.400942 0.088137 O\n0.974042 0.786846 0.874984 O\n0.312805 0.900942 0.025958 O\n0.911863 0.286846 0.312805 O\n0.687195 0.099058 0.974042 O\n0.088137 0.713154 0.687195 O\n0.187195 0.213154 0.588137 O\n0.474042 0.599058 0.187195 O\n0.812805 0.786846 0.411863 O\n0.525958 0.400942 0.812805 O\n0.286846 0.312805 0.911863 O\n0.713154 0.687195 0.088137 O\n0.213154 0.125016 0.025958 O\n0.786846 0.874984 0.974042 O\n0.900942 0.374984 0.588137 O\n0.099058 0.625016 0.411863 O\n0.599058 0.187195 0.474042 O\n0.400942 0.812805 0.525958 O\n",
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{
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},
{
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"structure_string": "Sm4 Be4 Si2 O14\n1.0\n7.443933 0.000000 0.000000\n0.000000 7.443933 0.000000\n0.000000 0.000000 4.860745\nSm Be Si O\n4 4 2 14\ndirect\n0.160331 0.339669 0.508578 Sm\n0.839669 0.660331 0.508578 Sm\n0.660331 0.160331 0.491422 Sm\n0.339669 0.839669 0.491422 Sm\n0.634915 0.865085 0.961188 Be\n0.365085 0.134915 0.961188 Be\n0.134915 0.634915 0.038812 Be\n0.865085 0.365085 0.038812 Be\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.178582 O\n0.500000 0.000000 0.821418 O\n0.640289 0.859711 0.287388 O\n0.359711 0.140289 0.287388 O\n0.140289 0.640289 0.712612 O\n0.859711 0.359711 0.712612 O\n0.077540 0.835464 0.194111 O\n0.922460 0.164536 0.194111 O\n0.164536 0.077540 0.805889 O\n0.422460 0.335464 0.805889 O\n0.835464 0.922460 0.805889 O\n0.577540 0.664536 0.805889 O\n0.335464 0.577540 0.194111 O\n0.664536 0.422460 0.194111 O\n",
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"volume": 269.3442751944454,
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"formula_full": "Sm4 Be4 Si2 O14",
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},
{
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"structure_string": "Cd32 P16 Br24\n1.0\n12.661631 0.000000 0.000000\n0.000000 12.661631 0.000000\n0.000000 0.000000 12.661631\nCd P Br\n32 16 24\ndirect\n0.036124 0.995502 0.254507 Cd\n0.254507 0.036124 0.995502 Cd\n0.995502 0.254507 0.036124 Cd\n0.504498 0.745493 0.536124 Cd\n0.754507 0.463876 0.004498 Cd\n0.004498 0.754507 0.463876 Cd\n0.245493 0.963876 0.495502 Cd\n0.745493 0.536124 0.504498 Cd\n0.495502 0.245493 0.963876 Cd\n0.536124 0.504498 0.745493 Cd\n0.963876 0.495502 0.245493 Cd\n0.463876 0.004498 0.754507 Cd\n0.963876 0.004498 0.745493 Cd\n0.745493 0.963876 0.004498 Cd\n0.004498 0.745493 0.963876 Cd\n0.495502 0.254507 0.463876 Cd\n0.245493 0.536124 0.995502 Cd\n0.995502 0.245493 0.536124 Cd\n0.754507 0.036124 0.504498 Cd\n0.254507 0.463876 0.495502 Cd\n0.504498 0.754507 0.036124 Cd\n0.463876 0.495502 0.254507 Cd\n0.036124 0.504498 0.754507 Cd\n0.536124 0.995502 0.245493 Cd\n0.223494 0.223494 0.223494 Cd\n0.276506 0.776506 0.723494 Cd\n0.723494 0.276506 0.776506 Cd\n0.776506 0.723494 0.276506 Cd\n0.776506 0.776506 0.776506 Cd\n0.723494 0.223494 0.276506 Cd\n0.276506 0.723494 0.223494 Cd\n0.223494 0.276506 0.723494 Cd\n0.109331 0.109331 0.109331 P\n0.390669 0.890669 0.609331 P\n0.609331 0.390669 0.890669 P\n0.890669 0.609331 0.390669 P\n0.890669 0.890669 0.890669 P\n0.609331 0.109331 0.390669 P\n0.390669 0.609331 0.109331 P\n0.109331 0.390669 0.609331 P\n0.449785 0.449785 0.449785 P\n0.050215 0.550215 0.949785 P\n0.949785 0.050215 0.550215 P\n0.550215 0.949785 0.050215 P\n0.550215 0.550215 0.550215 P\n0.949785 0.449785 0.050215 P\n0.050215 0.949785 0.449785 P\n0.449785 0.050215 0.949785 P\n0.183889 0.434269 0.269086 Br\n0.269086 0.183889 0.434269 Br\n0.434269 0.269086 0.183889 Br\n0.065731 0.730914 0.683889 Br\n0.769086 0.316111 0.565731 Br\n0.565731 0.769086 0.316111 Br\n0.230914 0.816111 0.934269 Br\n0.730914 0.683889 0.065731 Br\n0.934269 0.230914 0.816111 Br\n0.683889 0.065731 0.730914 Br\n0.816111 0.934269 0.230914 Br\n0.316111 0.565731 0.769086 Br\n0.816111 0.565731 0.730914 Br\n0.730914 0.816111 0.565731 Br\n0.565731 0.730914 0.816111 Br\n0.934269 0.269086 0.316111 Br\n0.230914 0.683889 0.434269 Br\n0.434269 0.230914 0.683889 Br\n0.769086 0.183889 0.065731 Br\n0.269086 0.316111 0.934269 Br\n0.065731 0.769086 0.183889 Br\n0.316111 0.934269 0.269086 Br\n0.183889 0.065731 0.769086 Br\n0.683889 0.434269 0.230914 Br\n",
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],
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"formula_full": "Cd32 P16 Br24",
"formula_reduced": "Cd4P2Br3",
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{
"id": "mp-1192500",
"created_at": "2022-09-04T14:40:21.260936Z",
"structure_string": "La2 Ni10 H14\n1.0\n2.698038 4.658558 0.000000\n2.698038 -4.658558 0.000000\n0.000242 0.000000 -8.616103\nLa Ni H\n2 10 14\ndirect\n0.000093 0.000097 0.469022 La\n0.000097 0.000093 0.969022 La\n0.002713 0.506717 0.247494 Ni\n0.504247 0.997306 0.247465 Ni\n0.493143 0.495748 0.247492 Ni\n0.506717 0.002713 0.747494 Ni\n0.997306 0.504247 0.747465 Ni\n0.495748 0.493143 0.747492 Ni\n0.666628 0.333173 0.492487 Ni\n0.333173 0.666628 0.992487 Ni\n0.666777 0.333438 0.014707 Ni\n0.333438 0.666777 0.514707 Ni\n0.009770 0.514064 0.438713 H\n0.504365 0.990273 0.438766 H\n0.485813 0.495560 0.438623 H\n0.514064 0.009770 0.938713 H\n0.990273 0.504365 0.938766 H\n0.495560 0.485813 0.938623 H\n0.666730 0.333350 0.679937 H\n0.333350 0.666730 0.179937 H\n0.325461 0.157473 0.210058 H\n0.831590 0.674506 0.210028 H\n0.842520 0.167987 0.210027 H\n0.157473 0.325462 0.710058 H\n0.674506 0.831590 0.710028 H\n0.167987 0.842520 0.710027 H\n",
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{
"id": "mp-864659",
"created_at": "2022-09-04T14:40:35.117822Z",
"structure_string": "Nd2 Ni1 Ir1\n1.0\n0.000000 3.539704 3.539704\n3.539704 0.000000 3.539704\n3.539704 3.539704 0.000000\nNd Ni Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ir\n",
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"formula_full": "Nd2 Ni1 Ir1",
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]
}