Ac4La3Mg2
Alexandria ALEXAlex-ID: agm005668134 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_1067_spg12
AcLa11 LaMg Ac
2023-06-27 10:08:06.945075
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668134).
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 agm005668134
data_agm005668134
_cell_length_a 5.28481
_cell_length_b 6.46714
_cell_length_c 11.28611
_cell_angle_alpha 73.88947
_cell_angle_beta 89.98799
_cell_angle_gamma 65.89098
_cell_volume 335.43031
_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 0.66692 0.66571 0.88943 1.00000
Ac2 Ac 0.99845 0.00333 0.33021 1.00000
Ac3 Ac 0.00155 0.99667 0.66979 1.00000
Ac4 Ac 0.33308 0.33429 0.11057 1.00000
La1 La 0.33046 0.33995 0.44955 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.66954 0.66005 0.55045 1.00000
Mg1 Mg 0.33318 0.33274 0.77649 1.00000
Mg2 Mg 0.66682 0.66726 0.22351 1.00000
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