PmAlH10
Alexandria ALEXAlex-ID: agm099370652 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC10_88_spg1
AlH9 PmH3 AlH3
2025-05-28 14:46:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099370652).
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 agm099370652
data_agm099370652
_cell_length_a 4.49326
_cell_length_b 6.10574
_cell_length_c 6.14128
_cell_angle_alpha 99.34154
_cell_angle_beta 116.61695
_cell_angle_gamma 118.79055
_cell_volume 115.62113
_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
Pm1 Pm 0.02105 0.59671 0.47624 1.00000
Al1 Al 0.87478 0.99045 0.02748 1.00000
H1 H 0.38232 0.73495 0.25236 1.00000
H2 H 0.60391 0.04707 0.75563 1.00000
H3 H 0.00658 0.86420 0.25618 1.00000
H4 H 0.03090 0.27601 0.69991 1.00000
H5 H 0.35179 0.19038 0.09081 1.00000
H6 H 0.65310 0.68665 0.71228 1.00000
H7 H 0.55262 0.79726 0.40858 1.00000
H8 H 0.13584 0.27902 0.62943 1.00000
H9 H 0.34697 0.75209 0.91241 1.00000
H10 H 0.04015 0.28523 0.27869 1.00000
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