Ce(HoAl)4
Alexandria ALEXAlex-ID: agm003595083 · 空间群: P4_2/n (#86)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C4_205_spg86
HoAl Ce
2022-04-04 14:07:25.314572
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003595083).
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 agm003595083
data_agm003595083
_cell_length_a 5.90984
_cell_length_b 8.56953
_cell_length_c 8.56953
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 434.00043
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.38002 0.43228 0.82633 1.00000
Ho2 Ho 0.88002 0.67367 0.93228 1.00000
Ho3 Ho 0.38002 0.56772 0.17367 1.00000
Ho4 Ho 0.11998 0.06772 0.67367 1.00000
Ho5 Ho 0.61998 0.82633 0.56772 1.00000
Ho6 Ho 0.11998 0.93228 0.32633 1.00000
Ho7 Ho 0.88002 0.32633 0.06772 1.00000
Ho8 Ho 0.61998 0.17367 0.43228 1.00000
Al1 Al 0.60013 0.89976 0.19892 1.00000
Al2 Al 0.60013 0.10024 0.80108 1.00000
Al3 Al 0.10013 0.69892 0.60024 1.00000
Al4 Al 0.89987 0.39976 0.69892 1.00000
Al5 Al 0.89987 0.60024 0.30108 1.00000
Al6 Al 0.39987 0.19892 0.10024 1.00000
Al7 Al 0.39987 0.80108 0.89976 1.00000
Al8 Al 0.10013 0.30108 0.39976 1.00000
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