La3Ce5Zn
Alexandria ALEXAlex-ID: agm072328686 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1181_spg1
La4Zn3 La4Zn Ce
2024-09-25 09:03:44.171011
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072328686).
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 agm072328686
data_agm072328686
_cell_length_a 8.86199
_cell_length_b 6.29746
_cell_length_c 6.45771
_cell_angle_alpha 86.75436
_cell_angle_beta 100.00186
_cell_angle_gamma 132.72063
_cell_volume 259.81088
_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 0.63920 0.22731 0.98241 1.00000
La2 La 0.39751 0.88940 0.42796 1.00000
La3 La 0.91283 0.57150 0.50946 1.00000
Ce1 Ce 0.15469 0.49044 0.93020 1.00000
Ce2 Ce 0.29485 0.32025 0.71996 1.00000
Ce3 Ce 0.50459 0.54748 0.24577 1.00000
Ce4 Ce 0.92014 0.05944 0.31348 1.00000
Ce5 Ce 0.72997 0.81552 0.77179 1.00000
Zn1 Zn 0.10145 0.89997 0.05682 1.00000
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