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{
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:42:09.314424Z",
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{
"id": "mp-1206447",
"created_at": "2022-09-04T14:47:06.067541Z",
"structure_string": "Dy4 Mg2 Ni4\n1.0\n7.308451 0.000000 0.000000\n0.000000 7.308451 0.000000\n0.000000 0.000000 3.751968\nDy Mg Ni\n4 2 4\ndirect\n0.675934 0.175934 0.500000 Dy\n0.324066 0.824066 0.500000 Dy\n0.175934 0.324066 0.500000 Dy\n0.824066 0.675934 0.500000 Dy\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.117896 0.617896 0.000000 Ni\n0.882104 0.382104 0.000000 Ni\n0.617896 0.882104 0.000000 Ni\n0.382104 0.117896 0.000000 Ni\n",
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{
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"structure_string": "Sm12 Co4\n1.0\n6.382949 0.000000 0.000000\n0.000000 7.037181 0.000000\n0.000000 0.000000 9.751003\nSm Co\n12 4\ndirect\n0.145378 0.455641 0.750000 Sm\n0.175252 0.173086 0.069001 Sm\n0.175252 0.173086 0.430999 Sm\n0.324748 0.673086 0.069001 Sm\n0.324748 0.673086 0.430999 Sm\n0.354622 0.955641 0.750000 Sm\n0.645378 0.044359 0.250000 Sm\n0.675252 0.326914 0.569001 Sm\n0.675252 0.326914 0.930999 Sm\n0.824748 0.826914 0.569001 Sm\n0.824748 0.826914 0.930999 Sm\n0.854622 0.544359 0.250000 Sm\n0.056168 0.886983 0.250000 Co\n0.443832 0.386983 0.250000 Co\n0.556168 0.613017 0.750000 Co\n0.943832 0.113017 0.750000 Co\n",
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{
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"id": "mp-654223",
"created_at": "2022-09-04T14:41:48.632732Z",
"structure_string": "Mn44 Ge32\n1.0\n5.004424 0.000000 0.000000\n0.000000 12.968608 0.000000\n0.000000 0.000000 15.685568\nMn Ge\n44 32\ndirect\n0.750000 0.634863 0.842943 Mn\n0.250000 0.865137 0.342943 Mn\n0.750000 0.134863 0.657057 Mn\n0.250000 0.630447 0.958302 Mn\n0.250000 0.194909 0.247801 Mn\n0.750000 0.805091 0.752199 Mn\n0.501168 0.439755 0.879182 Mn\n0.007263 0.864962 0.175508 Mn\n0.250000 0.251995 0.969247 Mn\n0.507263 0.135038 0.824492 Mn\n0.250000 0.377024 0.494820 Mn\n0.998832 0.939755 0.620818 Mn\n0.250000 0.751995 0.530753 Mn\n0.992737 0.135038 0.824492 Mn\n0.498832 0.560245 0.120818 Mn\n0.001168 0.560245 0.120818 Mn\n0.750000 0.622976 0.505180 Mn\n0.250000 0.933158 0.805679 Mn\n0.750000 0.305091 0.747801 Mn\n0.507263 0.635038 0.675508 Mn\n0.750000 0.566842 0.305679 Mn\n0.498832 0.060245 0.379182 Mn\n0.998832 0.439755 0.879182 Mn\n0.750000 0.869553 0.458302 Mn\n0.250000 0.877024 0.005180 Mn\n0.250000 0.130447 0.541698 Mn\n0.250000 0.694909 0.252199 Mn\n0.992737 0.635038 0.675508 Mn\n0.750000 0.066842 0.194321 Mn\n0.750000 0.248005 0.469247 Mn\n0.492737 0.864962 0.175508 Mn\n0.250000 0.046357 0.093565 Mn\n0.492737 0.364962 0.324492 Mn\n0.250000 0.546357 0.406435 Mn\n0.750000 0.748005 0.030753 Mn\n0.250000 0.365137 0.157057 Mn\n0.501168 0.939755 0.620818 Mn\n0.750000 0.953643 0.906435 Mn\n0.750000 0.453643 0.593565 Mn\n0.007263 0.364962 0.324492 Mn\n0.250000 0.433158 0.694321 Mn\n0.750000 0.122976 0.994820 Mn\n0.001168 0.060245 0.379182 Mn\n0.750000 0.369553 0.041698 Mn\n0.250000 0.295042 0.804463 Ge\n0.750000 0.555955 0.983483 Ge\n0.750000 0.991045 0.755378 Ge\n0.750000 0.948343 0.063220 Ge\n0.250000 0.725944 0.096308 Ge\n0.996731 0.713584 0.387863 Ge\n0.750000 0.704958 0.195537 Ge\n0.750000 0.915458 0.303858 Ge\n0.250000 0.051657 0.936780 Ge\n0.250000 0.508955 0.255378 Ge\n0.503269 0.713584 0.387863 Ge\n0.750000 0.415458 0.196142 Ge\n0.750000 0.274056 0.903692 Ge\n0.750000 0.774056 0.596308 Ge\n0.250000 0.584542 0.803858 Ge\n0.750000 0.491045 0.744622 Ge\n0.750000 0.204958 0.304463 Ge\n0.750000 0.055955 0.516517 Ge\n0.250000 0.444045 0.016517 Ge\n0.496731 0.786416 0.887863 Ge\n0.496731 0.286416 0.612137 Ge\n0.250000 0.795042 0.695537 Ge\n0.250000 0.551657 0.563220 Ge\n0.250000 0.084542 0.696142 Ge\n0.996731 0.213584 0.112137 Ge\n0.750000 0.448343 0.436780 Ge\n0.003269 0.286416 0.612137 Ge\n0.250000 0.225944 0.403692 Ge\n0.003269 0.786416 0.887863 Ge\n0.250000 0.944045 0.483483 Ge\n0.503269 0.213584 0.112137 Ge\n0.250000 0.008955 0.244622 Ge\n",
"nsites": 76,
"nelements": 2,
"elements": [
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn",
"density": 7.734645324559914,
"density_atomic": 0.07465620010055236,
"volume": 1017.9998432499607,
"volume_molar": 8.066497828564737,
"formula_full": "Mn44 Ge32",
"formula_reduced": "Mn11Ge8",
"formula_anonymous": "A8B11",
"energy": -558.9637413,
"energy_per_atom": -7.354786069736843,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -558.9637413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 105.0406707,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.058000Z",
"spacegroup": 62
}
]
}