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{
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{
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{
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{
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"structure_string": "La3 Si6 Pd20\n1.0\n-6.228653 -6.228653 0.000000\n-6.228653 0.000000 -6.228653\n0.000000 -6.228653 -6.228653\nLa Si Pd\n3 6 20\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 La\n0.732167 0.732167 0.267833 Si\n0.267833 0.267833 0.732167 Si\n0.732167 0.267833 0.732167 Si\n0.267833 0.732167 0.267833 Si\n0.267833 0.732167 0.732167 Si\n0.732167 0.267833 0.267833 Si\n0.614629 0.614629 0.614629 Pd\n0.385371 0.385371 0.385371 Pd\n0.156112 0.614629 0.614629 Pd\n0.614629 0.156112 0.614629 Pd\n0.843888 0.385371 0.385371 Pd\n0.385371 0.843888 0.385371 Pd\n0.614629 0.614629 0.156112 Pd\n0.385371 0.385371 0.843888 Pd\n0.000000 0.000000 0.653508 Pd\n0.000000 0.000000 0.346492 Pd\n0.346492 0.653508 0.000000 Pd\n0.653508 0.346492 0.000000 Pd\n0.000000 0.653508 0.000000 Pd\n0.653508 0.000000 0.346492 Pd\n0.000000 0.346492 0.000000 Pd\n0.346492 0.000000 0.653508 Pd\n0.653508 0.000000 0.000000 Pd\n0.346492 0.000000 0.000000 Pd\n0.000000 0.653508 0.346492 Pd\n0.000000 0.346492 0.653508 Pd\n",
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{
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{
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{
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{
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"energy_uncorrected": -29.0331016,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0005997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.723000Z",
"spacegroup": 139
}
]
}