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{
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{
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{
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{
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{
"id": "mp-1187760",
"created_at": "2022-09-04T14:46:10.242724Z",
"structure_string": "Tb2 Pu6\n1.0\n3.465262 -6.002010 0.000000\n3.465262 6.002010 0.000000\n0.000000 0.000000 5.567241\nTb Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.163445 0.326890 0.250000 Pu\n0.673110 0.836555 0.250000 Pu\n0.163445 0.836555 0.250000 Pu\n0.836555 0.673110 0.750000 Pu\n0.326890 0.163445 0.750000 Pu\n0.836555 0.163445 0.750000 Pu\n",
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{
"id": "mp-705564",
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"structure_string": "Co23 O32\n1.0\n8.272740 0.000000 0.000000\n-0.008301 8.284062 0.000000\n-4.128833 -4.092397 8.191493\nCo O\n23 32\ndirect\n0.375809 0.624009 0.750799 Co\n0.243717 0.245697 0.496212 Co\n0.312174 0.312115 0.877648 Co\n0.868910 0.126450 0.247502 Co\n0.000438 0.002420 0.498328 Co\n0.878054 0.125707 0.748441 Co\n0.566708 0.065006 0.374820 Co\n0.250663 0.751161 0.999614 Co\n0.757708 0.754800 0.509500 Co\n0.380415 0.622726 0.258145 Co\n0.113677 0.869807 0.237295 Co\n0.939737 0.439356 0.627856 Co\n0.499955 0.503485 0.499295 Co\n0.000562 0.498811 0.997502 Co\n0.057653 0.561732 0.373552 Co\n0.626328 0.375238 0.751168 Co\n0.750945 0.246803 0.000373 Co\n0.627502 0.371068 0.249041 Co\n0.438194 0.946298 0.632027 Co\n0.500839 0.003884 0.002274 Co\n0.127502 0.879375 0.749510 Co\n0.687643 0.687480 0.124005 Co\n0.182686 0.180708 0.119461 Co\n0.255358 0.481949 0.507421 O\n0.100724 0.117135 0.249525 O\n0.998614 0.228310 0.484750 O\n0.882897 0.901156 0.261134 O\n0.631119 0.135418 0.236408 O\n0.481819 0.766595 0.994943 O\n0.777273 0.003482 0.513479 O\n0.257378 0.977479 0.987261 O\n0.146659 0.648975 0.764738 O\n0.630528 0.611420 0.262272 O\n0.361475 0.860675 0.230172 O\n0.026281 0.731988 0.006179 O\n0.236875 0.519598 0.001344 O\n0.512802 0.744403 0.506403 O\n0.399420 0.375605 0.259106 O\n0.124235 0.620226 0.232265 O\n0.865070 0.367908 0.761446 O\n0.598002 0.592857 0.741516 O\n0.978593 0.257102 0.986383 O\n0.497934 0.258444 0.521430 O\n0.758618 0.478813 0.985677 O\n0.650769 0.147229 0.766314 O\n0.394260 0.376658 0.748494 O\n0.852161 0.353638 0.233799 O\n0.736968 0.032043 0.017338 O\n0.228838 0.007750 0.484342 O\n0.522458 0.243269 0.013081 O\n0.369955 0.879550 0.768449 O\n0.106561 0.106267 0.735911 O\n0.006768 0.778541 0.514359 O\n0.892810 0.892469 0.738894 O\n0.736750 0.497739 0.483228 O\n",
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{
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{
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"formula_reduced": "MgSc5",
"formula_anonymous": "AB5",
"energy": -33.18054301,
"energy_per_atom": -5.530090501666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.18054301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9278064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.911000Z",
"spacegroup": 38
}
]
}