Ac2PdPb
Alexandria ALEXAlex-ID: agm003625762 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1098_spg5
Ac2Pd2Pb Ac4Pb3 AcPd
2022-04-14 20:50:29.277027
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003625762).
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 agm003625762
data_agm003625762
_cell_length_a 5.30612
_cell_length_b 9.56390
_cell_length_c 6.58193
_cell_angle_alpha 111.26663
_cell_angle_beta 113.77100
_cell_angle_gamma 90.00000
_cell_volume 280.64503
_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 0.17333 0.58663 0.34698 1.00000
Ac2 Ac 0.82667 0.41337 0.65302 1.00000
Ac3 Ac 0.17366 0.08663 0.34698 1.00000
Ac4 Ac 0.82634 0.91337 0.65302 1.00000
Pd1 Pd 0.00266 0.75000 0.00000 1.00000
Pd2 Pd 0.99734 0.25000 1.00000 1.00000
Pb1 Pb 0.49758 0.25000 0.00000 1.00000
Pb2 Pb 0.50242 0.75000 1.00000 1.00000
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