HoAl2CoH8
Alexandria ALEXAlex-ID: agm007459347 · 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
ABC2D8_1343_spg12
HoH11 HoH3 AlH3 AlCo
2024-03-26 07:02:53.961543
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007459347).
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 agm007459347
data_agm007459347
_cell_length_a 6.60817
_cell_length_b 6.60817
_cell_length_c 5.82724
_cell_angle_alpha 55.80964
_cell_angle_beta 55.80964
_cell_angle_gamma 34.46210
_cell_volume 116.43177
_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 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.37433 0.37433 0.02284 1.00000
Al2 Al 0.62567 0.62567 0.97716 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.59971 0.59971 0.30719 1.00000
H2 H 0.78609 0.78609 0.76246 1.00000
H3 H 0.40029 0.40029 0.69281 1.00000
H4 H 0.21391 0.21391 0.23754 1.00000
H5 H 0.83408 0.32549 0.75208 1.00000
H6 H 0.16592 0.67451 0.24792 1.00000
H7 H 0.32549 0.83408 0.75208 1.00000
H8 H 0.67451 0.16592 0.24792 1.00000
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