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{
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{
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{
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"structure_string": "Ba8 Si40 Au6\n1.0\n10.512283 0.000000 0.000000\n0.000000 10.512283 0.000000\n0.000000 0.000000 10.512283\nBa Si Au\n8 40 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.750000 Ba\n0.500000 0.250000 0.000000 Ba\n0.750000 0.000000 0.500000 Ba\n0.000000 0.500000 0.250000 Ba\n0.500000 0.750000 0.000000 Ba\n0.250000 0.000000 0.500000 Ba\n0.683719 0.316281 0.683719 Si\n0.316281 0.683719 0.316281 Si\n0.683719 0.683719 0.316281 Si\n0.316281 0.316281 0.683719 Si\n0.316281 0.683719 0.683719 Si\n0.683719 0.316281 0.316281 Si\n0.316281 0.316281 0.316281 Si\n0.683719 0.683719 0.683719 Si\n0.183719 0.183719 0.816281 Si\n0.816281 0.816281 0.183719 Si\n0.183719 0.816281 0.183719 Si\n0.816281 0.183719 0.816281 Si\n0.816281 0.183719 0.183719 Si\n0.183719 0.816281 0.816281 Si\n0.816281 0.816281 0.816281 Si\n0.183719 0.183719 0.183719 Si\n0.804368 0.383062 0.500000 Si\n0.616938 0.500000 0.804368 Si\n0.500000 0.195632 0.616938 Si\n0.195632 0.616938 0.500000 Si\n0.383062 0.500000 0.195632 Si\n0.500000 0.804368 0.383062 Si\n0.804368 0.616938 0.500000 Si\n0.616938 0.500000 0.195632 Si\n0.195632 0.383062 0.500000 Si\n0.383062 0.500000 0.804368 Si\n0.500000 0.804368 0.616938 Si\n0.500000 0.195632 0.383062 Si\n0.304368 0.000000 0.883062 Si\n0.116938 0.304368 0.000000 Si\n0.000000 0.116938 0.695632 Si\n0.695632 0.000000 0.116938 Si\n0.883062 0.695632 0.000000 Si\n0.000000 0.883062 0.304368 Si\n0.304368 0.000000 0.116938 Si\n0.116938 0.695632 0.000000 Si\n0.695632 0.000000 0.883062 Si\n0.883062 0.304368 0.000000 Si\n0.000000 0.116938 0.304368 Si\n0.000000 0.883062 0.695632 Si\n0.500000 0.000000 0.750000 Au\n0.000000 0.250000 0.500000 Au\n0.750000 0.500000 0.000000 Au\n0.500000 0.000000 0.250000 Au\n0.000000 0.750000 0.500000 Au\n0.250000 0.500000 0.000000 Au\n",
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{
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"structure_string": "Fe2 Sb4 C12 O12 F24\n1.0\n8.377421 0.000000 0.000000\n0.000000 8.377421 0.000000\n0.000000 0.000000 12.642941\nFe Sb C O F\n2 4 12 12 24\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.750000 Sb\n0.000000 0.500000 0.750000 Sb\n0.500000 0.000000 0.250000 Sb\n0.000000 0.500000 0.250000 Sb\n0.118932 0.809959 0.000000 C\n0.381068 0.309959 0.500000 C\n0.000000 0.000000 0.148029 C\n0.500000 0.500000 0.351971 C\n0.000000 0.000000 0.851971 C\n0.500000 0.500000 0.648029 C\n0.618932 0.690041 0.500000 C\n0.809959 0.881068 0.000000 C\n0.309959 0.618932 0.500000 C\n0.690041 0.381068 0.500000 C\n0.190041 0.118932 0.000000 C\n0.881068 0.190041 0.000000 C\n0.690144 0.805374 0.500000 O\n0.500000 0.500000 0.737913 O\n0.000000 0.000000 0.762087 O\n0.500000 0.500000 0.262087 O\n0.000000 0.000000 0.237913 O\n0.309856 0.194626 0.500000 O\n0.305374 0.190144 0.000000 O\n0.809856 0.305374 0.000000 O\n0.190144 0.694626 0.000000 O\n0.805374 0.309856 0.500000 O\n0.194626 0.690144 0.500000 O\n0.694626 0.809856 0.000000 O\n0.338407 0.161593 0.750000 F\n0.161593 0.661593 0.250000 F\n0.838407 0.338407 0.750000 F\n0.392450 0.879700 0.358434 F\n0.161593 0.661593 0.750000 F\n0.661593 0.838407 0.750000 F\n0.620300 0.107550 0.141566 F\n0.892450 0.620300 0.141566 F\n0.107550 0.379700 0.141566 F\n0.120300 0.392450 0.358434 F\n0.879700 0.607550 0.358434 F\n0.379700 0.892450 0.141566 F\n0.607550 0.120300 0.358434 F\n0.838407 0.338407 0.250000 F\n0.379700 0.892450 0.858434 F\n0.107550 0.379700 0.858434 F\n0.892450 0.620300 0.858434 F\n0.879700 0.607550 0.641566 F\n0.120300 0.392450 0.641566 F\n0.620300 0.107550 0.858434 F\n0.392450 0.879700 0.641566 F\n0.607550 0.120300 0.641566 F\n0.338407 0.161593 0.250000 F\n0.661593 0.838407 0.250000 F\n",
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{
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{
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"is_magnetic": false,
"total_magnetization": 0.0010912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.223000Z",
"spacegroup": 58
}
]
}