LaH8Pd2Pb
Alexandria ALEXAlex-ID: agm007452829 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_45_spg166
La(H3Pd)2 PdPb2 H6Pb LaH4Pd
2025-05-28 04:07:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007452829).
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 agm007452829
data_agm007452829
_cell_length_a 4.83486
_cell_length_b 4.83486
_cell_length_c 7.55136
_cell_angle_alpha 61.82301
_cell_angle_beta 118.17699
_cell_angle_gamma 114.80809
_cell_volume 132.69739
_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
La1 La 0.11357 0.11357 0.00000 1.00000
H1 H 0.67855 0.40538 0.21290 1.00000
H2 H 0.75154 0.39938 0.61592 1.00000
H3 H 0.40538 0.67855 0.78710 1.00000
H4 H 0.39938 0.75154 0.38408 1.00000
H5 H 0.58775 0.17262 0.93446 1.00000
H6 H 0.61273 0.98163 0.07936 1.00000
H7 H 0.98163 0.61273 0.92064 1.00000
H8 H 0.17262 0.58775 0.06554 1.00000
Pd1 Pd 0.58349 0.55273 0.69905 1.00000
Pd2 Pd 0.55273 0.58349 0.30095 1.00000
Pb1 Pb 0.07178 0.07178 0.50000 1.00000
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