Ac3(HoPb2)2
Alexandria ALEXAlex-ID: agm003340366 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_373_spg12
Ac5Pb4 Ac2Ho3Pb4
2022-02-02 00:32:18.583108
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003340366).
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 agm003340366
data_agm003340366
_cell_length_a 4.87306
_cell_length_b 7.46488
_cell_length_c 10.31643
_cell_angle_alpha 113.70339
_cell_angle_beta 90.00000
_cell_angle_gamma 109.05036
_cell_volume 321.04633
_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 0.62192 0.24384 0.70022 1.00000
Ac2 Ac 0.00000 0.00000 0.00000 1.00000
Ac3 Ac 0.37808 0.75616 0.29978 1.00000
Ho1 Ho 0.68411 0.36821 0.35524 1.00000
Ho2 Ho 0.31589 0.63179 0.64476 1.00000
Pb1 Pb 0.70317 0.40633 0.06696 1.00000
Pb2 Pb 0.29683 0.59367 0.93304 1.00000
Pb3 Pb 0.92480 0.84960 0.59122 1.00000
Pb4 Pb 0.07520 0.15040 0.40878 1.00000
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