AcTh2(AgPb)2
Alexandria ALEXAlex-ID: agm004551243 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_139_spg166
AcAg2 ThAg2 AcAgPb Th5Pb4
2022-06-21 23:31:59.643967
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004551243).
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 agm004551243
data_agm004551243
_cell_length_a 5.13719
_cell_length_b 5.13719
_cell_length_c 9.69328
_cell_angle_alpha 74.63381
_cell_angle_beta 74.63381
_cell_angle_gamma 60.00000
_cell_volume 210.91472
_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 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.13478 0.13478 0.59567 1.00000
Th2 Th 0.86522 0.86522 0.40433 1.00000
Ag1 Ag 0.55711 0.55711 0.32866 1.00000
Ag2 Ag 0.44289 0.44289 0.67134 1.00000
Pb1 Pb 0.73683 0.73683 0.78951 1.00000
Pb2 Pb 0.26317 0.26317 0.21049 1.00000
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