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{
"id": "mp-11265",
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{
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{
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"formula_full": "Ba4 Ca4 Si4",
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{
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{
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"structure_string": "Ba4 Ca4 Pb4\n1.0\n5.394733 0.000000 0.000000\n0.000000 8.956175 0.000000\n0.000000 0.000000 9.837080\nBa Ca Pb\n4 4 4\ndirect\n0.250000 0.521314 0.317637 Ba\n0.250000 0.021314 0.182363 Ba\n0.750000 0.478686 0.682363 Ba\n0.750000 0.978686 0.817637 Ba\n0.250000 0.644744 0.929688 Ca\n0.250000 0.144744 0.570312 Ca\n0.750000 0.355256 0.070312 Ca\n0.750000 0.855256 0.429688 Ca\n0.250000 0.274397 0.891977 Pb\n0.250000 0.774397 0.608023 Pb\n0.750000 0.725603 0.108023 Pb\n0.750000 0.225603 0.391977 Pb\n",
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{
"id": "mp-1078915",
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"structure_string": "Ba3 Ca1 O4\n1.0\n5.478772 0.000000 0.000000\n0.000000 5.478772 0.000000\n0.000000 0.000000 5.478772\nBa Ca O\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Ba3 Ca1 O4",
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{
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"structure_string": "Ba1 Ca3 O4\n1.0\n5.108246 0.000000 0.000000\n0.000000 5.108246 0.000000\n0.000000 0.000000 5.108246\nBa Ca O\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Ba4 Ca4 O8\n1.0\n3.764124 0.000000 0.000000\n0.000000 6.324430 0.000000\n0.000000 0.000000 12.261734\nBa Ca O\n4 4 8\ndirect\n0.250000 0.593575 0.642214 Ba\n0.250000 0.093575 0.857786 Ba\n0.750000 0.406425 0.357786 Ba\n0.750000 0.906425 0.142214 Ba\n0.250000 0.908979 0.392709 Ca\n0.250000 0.408979 0.107291 Ca\n0.750000 0.591021 0.892709 Ca\n0.750000 0.091021 0.607291 Ca\n0.250000 0.215878 0.518318 O\n0.250000 0.715878 0.981682 O\n0.250000 0.651155 0.252285 O\n0.250000 0.151155 0.247715 O\n0.750000 0.848845 0.752285 O\n0.750000 0.348845 0.747715 O\n0.750000 0.784122 0.481682 O\n0.750000 0.284122 0.018318 O\n",
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{
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{
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]
}