Ac2LaCu2
Alexandria ALEXAlex-ID: agm003399298 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1136_spg11
LaCu AcLaCu4 Ac
2022-02-10 08:27:29.040819
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003399298).
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 agm003399298
data_agm003399298
_cell_length_a 4.16817
_cell_length_b 6.49048
_cell_length_c 12.79373
_cell_angle_alpha 115.23668
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 313.07916
_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 0.25000 0.76170 0.87763 1.00000
Ac2 Ac 0.75000 0.23830 0.12237 1.00000
Ac3 Ac 0.25000 0.28874 0.55594 1.00000
Ac4 Ac 0.75000 0.71126 0.44406 1.00000
La1 La 0.25000 0.83352 0.21033 1.00000
La2 La 0.75000 0.16648 0.78967 1.00000
Cu1 Cu 0.25000 0.83210 0.64218 1.00000
Cu2 Cu 0.75000 0.16790 0.35782 1.00000
Cu3 Cu 0.25000 0.37459 0.97947 1.00000
Cu4 Cu 0.75000 0.62541 0.02053 1.00000
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