Ac2LaNd8
Alexandria ALEXAlex-ID: agm005956972 · 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
AB2C8_278_spg12
La3Nd5 Ac Nd
2023-10-20 14:49:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005956972).
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 agm005956972
data_agm005956972
_cell_length_a 5.31721
_cell_length_b 8.38169
_cell_length_c 9.88465
_cell_angle_alpha 104.82349
_cell_angle_beta 105.60260
_cell_angle_gamma 90.00001
_cell_volume 409.05426
_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 0.22679 0.64070 0.45357 1.00000
Ac2 Ac 0.77321 0.35930 0.54643 1.00000
La1 La 0.50000 0.00000 0.00000 1.00000
Nd1 Nd 0.58836 0.45312 0.17671 1.00000
Nd2 Nd 0.32056 0.09415 0.64112 1.00000
Nd3 Nd 0.13433 0.17353 0.26866 1.00000
Nd4 Nd 0.04271 0.72669 0.08541 1.00000
Nd5 Nd 0.86567 0.82647 0.73134 1.00000
Nd6 Nd 0.67944 0.90585 0.35888 1.00000
Nd7 Nd 0.41164 0.54688 0.82329 1.00000
Nd8 Nd 0.95729 0.27331 0.91459 1.00000
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