Ac2Ho2Al2O
Alexandria ALEXAlex-ID: agm023474658 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_132_spg139
HoAl HoAl2 Ac Ho2O3
2025-05-07 18:19:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023474658).
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}
}
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# CIF generated by HEAS from Alexandria entry agm023474658
data_agm023474658
_cell_length_a 9.21942
_cell_length_b 9.21942
_cell_length_c 9.21942
_cell_angle_alpha 150.33891
_cell_angle_beta 150.33891
_cell_angle_gamma 42.44415
_cell_volume 191.43485
_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
Ac1 Ac 0.17172 0.17172 0.00000 1.00000
Ac2 Ac 0.82828 0.82828 0.00000 1.00000
Ho1 Ho 0.50000 0.00000 0.50000 1.00000
Ho2 Ho 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.37694 0.37694 0.00000 1.00000
Al2 Al 0.62306 0.62306 0.00000 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
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