Al2CdHPb
Alexandria ALEXAlex-ID: agm007295065 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_26_spg63
AlH3 Al Pb Cd
2024-06-24 12:11:06.279603
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007295065).
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 agm007295065
data_agm007295065
_cell_length_a 6.17753
_cell_length_b 6.17753
_cell_length_c 10.05897
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 149.81712
_cell_volume 192.99476
_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
Al1 Al 0.85107 0.14893 0.49407 1.00000
Al2 Al 0.14893 0.85107 0.50593 1.00000
Al3 Al 0.85107 0.14893 0.00593 1.00000
Al4 Al 0.14893 0.85107 0.99407 1.00000
Cd1 Cd 0.33972 0.66028 0.25000 1.00000
Cd2 Cd 0.66028 0.33972 0.75000 1.00000
H1 H 0.00000 0.00000 0.50000 1.00000
H2 H 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.59731 0.40269 0.25000 1.00000
Pb2 Pb 0.40269 0.59731 0.75000 1.00000
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