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{
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{
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{
"id": "mp-677041",
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{
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"structure_string": "Sr1 Ac1 Au2\n1.0\n0.000000 3.882428 3.882428\n3.882428 0.000000 3.882428\n3.882428 3.882428 0.000000\nSr Ac Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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{
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{
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"created_at": "2022-09-04T14:39:30.966629Z",
"structure_string": "Al2 Tc6\n1.0\n2.708800 -4.691779 0.000000\n2.708800 4.691779 0.000000\n0.000000 0.000000 4.565021\nAl Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.170878 0.341757 0.250000 Tc\n0.658243 0.829122 0.250000 Tc\n0.170878 0.829122 0.250000 Tc\n0.829122 0.658243 0.750000 Tc\n0.341757 0.170878 0.750000 Tc\n0.829122 0.170878 0.750000 Tc\n",
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{
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"structure_string": "Ni1 Ag4 P6 O24\n1.0\n6.617246 0.000000 0.000000\n-0.282261 8.139537 0.000000\n-2.015543 -1.047037 9.167124\nNi Ag P O\n1 4 6 24\ndirect\n0.000000 0.000000 0.000000 Ni\n0.615913 0.282545 0.424555 Ag\n0.384087 0.717455 0.575446 Ag\n0.192615 0.434133 0.162219 Ag\n0.807385 0.565867 0.837781 Ag\n0.856104 0.721387 0.506473 P\n0.143896 0.278613 0.493527 P\n0.460079 0.143447 0.701780 P\n0.539921 0.856553 0.298220 P\n0.726391 0.558860 0.207609 P\n0.273609 0.441140 0.792391 P\n0.294024 0.364539 0.417303 O\n0.705976 0.635461 0.582697 O\n0.931424 0.231338 0.404157 O\n0.068576 0.768662 0.595843 O\n0.744113 0.873563 0.435665 O\n0.255887 0.126437 0.564335 O\n0.885311 0.601791 0.364577 O\n0.114689 0.398209 0.635423 O\n0.512895 0.021812 0.248155 O\n0.487105 0.978188 0.751845 O\n0.365944 0.760257 0.342805 O\n0.634056 0.239743 0.657195 O\n0.623745 0.731785 0.177578 O\n0.376255 0.268215 0.822422 O\n0.856708 0.518000 0.097577 O\n0.143292 0.482000 0.902423 O\n0.562488 0.431535 0.224618 O\n0.437512 0.568465 0.775382 O\n0.179164 0.167533 0.109768 O\n0.820836 0.832467 0.890232 O\n0.194928 0.869055 0.953589 O\n0.805072 0.130945 0.046411 O\n0.010487 0.991524 0.193703 O\n0.989513 0.008476 0.806297 O\n",
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{
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{
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{
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{
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{
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.6116826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.323688,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.383000Z",
"spacegroup": 65
}
]
}