AcLaPd3
Alexandria ALEXAlex-ID: agm003729319 · 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
ABC3_312_spg63
Ac3Pd5 La3Pd5 AcPd
2022-04-16 12:30:30.435457
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003729319).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003729319
data_agm003729319
_cell_length_a 4.47795
_cell_length_b 4.04927
_cell_length_c 14.12497
_cell_angle_alpha 98.24102
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 253.47541
_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 0.25000 0.79992 0.59984 1.00000
Ac2 Ac 0.75000 0.20008 0.40016 1.00000
La1 La 0.25000 0.06834 0.13668 1.00000
La2 La 0.75000 0.93166 0.86332 1.00000
Pd1 Pd 0.25000 0.38101 0.76202 1.00000
Pd2 Pd 0.75000 0.61899 0.23798 1.00000
Pd3 Pd 0.25000 0.47498 0.94995 1.00000
Pd4 Pd 0.75000 0.52502 0.05005 1.00000
Pd5 Pd 0.75000 0.31962 0.63924 1.00000
Pd6 Pd 0.25000 0.68038 0.36076 1.00000
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