La3Tb2Dy7
Alexandria ALEXAlex-ID: agm005608317 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_196_spg2
LaTb La3Tb5 LaDy4
2023-06-13 13:02:01.085176
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608317).
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 agm005608317
data_agm005608317
_cell_length_a 3.61514
_cell_length_b 5.76171
_cell_length_c 19.93682
_cell_angle_alpha 76.41473
_cell_angle_beta 95.15498
_cell_angle_gamma 89.99584
_cell_volume 401.92483
_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 0.00000 1.00000
La2 La 0.82289 0.13240 0.64242 1.00000
La3 La 0.17711 0.86760 0.35758 1.00000
Tb1 Tb 0.35837 0.57289 0.71338 1.00000
Tb2 Tb 0.64163 0.42711 0.28662 1.00000
Dy1 Dy 0.27170 0.71480 0.54225 1.00000
Dy2 Dy 0.72830 0.28520 0.45775 1.00000
Dy3 Dy 0.41497 0.97844 0.82740 1.00000
Dy4 Dy 0.00000 0.00000 0.00000 1.00000
Dy5 Dy 0.58503 0.02156 0.17260 1.00000
Dy6 Dy 0.06955 0.54863 0.14125 1.00000
Dy7 Dy 0.93045 0.45137 0.85875 1.00000
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