La4TlPb3
Alexandria ALEXAlex-ID: agm005962736 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
La5Pb4 LaTl3 LaPb
2023-09-28 17:19:23.675392
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962736).
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 agm005962736
data_agm005962736
_cell_length_a 5.23589
_cell_length_b 5.23598
_cell_length_c 9.92556
_cell_angle_alpha 105.33035
_cell_angle_beta 105.29322
_cell_angle_gamma 90.00000
_cell_volume 252.42167
_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
Pb1 Pb 0.00000 0.50000 0.00000 1.00000
Pb2 Pb 0.74989 0.24998 0.49979 1.00000
Pb3 Pb 0.25011 0.75002 0.50021 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
La1 La 0.37581 0.37562 0.75163 1.00000
La2 La 0.62419 0.62438 0.24837 1.00000
La3 La 0.12418 0.12430 0.24837 1.00000
La4 La 0.87582 0.87570 0.75163 1.00000
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