Ho6Er2Pu
Alexandria ALEXAlex-ID: agm005647853 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2717_spg12
Ho7Er2 HoEr5 Pu
2023-07-12 21:32:42.671319
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647853).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005647853
data_agm005647853
_cell_length_a 6.07452
_cell_length_b 4.95600
_cell_length_c 20.06433
_cell_angle_alpha 82.90601
_cell_angle_beta 95.75908
_cell_angle_gamma 114.06946
_cell_volume 546.46737
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho1 Ho 0.19283 0.36060 0.47191 1.00000
Ho2 Ho 0.69264 0.86048 0.97198 1.00000
Ho3 Ho 0.80717 0.63940 0.52809 1.00000
Ho4 Ho 0.30736 0.13952 0.02802 1.00000
Ho5 Ho 0.08332 0.58403 0.91540 1.00000
Ho6 Ho 0.41675 0.91594 0.58470 1.00000
Ho7 Ho 0.91668 0.41597 0.08460 1.00000
Ho8 Ho 0.58325 0.08406 0.41530 1.00000
Ho9 Ho 0.14061 0.97262 0.19561 1.00000
Ho10 Ho 0.96631 0.80366 0.35946 1.00000
Ho11 Ho 0.85939 0.02738 0.80439 1.00000
Ho12 Ho 0.03369 0.19634 0.64054 1.00000
Er1 Er 0.36031 0.52805 0.30424 1.00000
Er2 Er 0.53383 0.69661 0.14041 1.00000
Er3 Er 0.63969 0.47195 0.69576 1.00000
Er4 Er 0.46617 0.30339 0.85959 1.00000
Pu1 Pu 0.75024 0.25035 0.24989 1.00000
Pu2 Pu 0.24976 0.74965 0.75011 1.00000
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