LaTb2Tm4Sc
Alexandria ALEXAlex-ID: agm004862833 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_268_spg115
La3Tb5 TbTm5 Sc LaTm2
2023-01-29 04:19:55.048925
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004862833).
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 agm004862833
data_agm004862833
_cell_length_a 5.74545
_cell_length_b 9.44057
_cell_length_c 5.74350
_cell_angle_alpha 52.49931
_cell_angle_beta 90.01864
_cell_angle_gamma 90.02564
_cell_volume 247.15019
_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 0.50000 0.50000 1.00000 1.00000
Tb1 Tb 0.00000 0.00000 1.00000 1.00000
Tb2 Tb 0.50000 0.00000 0.50000 1.00000
Tm1 Tm 0.99998 0.75042 0.74958 1.00000
Tm2 Tm 0.00002 0.24958 0.25042 1.00000
Tm3 Tm 0.50001 0.75111 0.24896 1.00000
Tm4 Tm 0.49999 0.24889 0.75104 1.00000
Sc1 Sc 0.00000 0.49999 0.50000 1.00000
获取直接链接