Ac3(LaNd)4
Alexandria ALEXAlex-ID: agm005697301 · 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
A3B4C4_25_spg71
LaNd Ac
2023-07-02 01:20:32.593073
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697301).
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 agm005697301
data_agm005697301
_cell_length_a 3.75251
_cell_length_b 5.96367
_cell_length_c 19.22274
_cell_angle_alpha 81.06912
_cell_angle_beta 84.36953
_cell_angle_gamma 89.99680
_cell_volume 422.86412
_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 0.13847 0.63751 0.72479 1.00000
Ac2 Ac 0.86155 0.36252 0.27522 1.00000
Ac3 Ac 0.00003 0.00003 0.99997 1.00000
La1 La 0.54660 0.54730 0.90725 1.00000
La2 La 0.45345 0.45275 0.09271 1.00000
La3 La 0.31783 0.81864 0.36291 1.00000
La4 La 0.68218 0.18137 0.63712 1.00000
Nd1 Nd 0.59199 0.09229 0.81675 1.00000
Nd2 Nd 0.26557 0.26502 0.46966 1.00000
Nd3 Nd 0.73444 0.73499 0.53037 1.00000
Nd4 Nd 0.40804 0.90774 0.18325 1.00000
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