La6Dy5Th2
Alexandria ALEXAlex-ID: agm005662363 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
La5Dy DyTh LaDy4
2023-06-20 08:14:51.334833
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662363).
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 agm005662363
data_agm005662363
_cell_length_a 3.64495
_cell_length_b 11.66506
_cell_length_c 21.18850
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 900.90346
_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 0.00000 0.07360 0.35614 1.00000
La2 La 0.00000 0.92640 0.64386 1.00000
La3 La 0.00000 0.57360 0.14386 1.00000
La4 La 0.00000 0.42640 0.85614 1.00000
La5 La 0.50000 0.32106 0.12479 1.00000
La6 La 0.50000 0.67894 0.87521 1.00000
La7 La 0.50000 0.82106 0.37521 1.00000
La8 La 0.50000 0.17894 0.62479 1.00000
La9 La 0.00000 0.59129 0.44078 1.00000
La10 La 0.00000 0.40871 0.55922 1.00000
La11 La 0.00000 0.09129 0.05922 1.00000
La12 La 0.00000 0.90871 0.94078 1.00000
Dy1 Dy 0.50000 0.32402 0.41113 1.00000
Dy2 Dy 0.50000 0.67598 0.58887 1.00000
Dy3 Dy 0.50000 0.82402 0.08887 1.00000
Dy4 Dy 0.50000 0.17598 0.91113 1.00000
Dy5 Dy 0.50000 0.56584 0.29202 1.00000
Dy6 Dy 0.50000 0.43416 0.70798 1.00000
Dy7 Dy 0.50000 0.06584 0.20798 1.00000
Dy8 Dy 0.50000 0.93416 0.79202 1.00000
Dy9 Dy 0.50000 0.50000 0.00000 1.00000
Dy10 Dy 0.50000 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.31304 0.26504 1.00000
Th2 Th 0.00000 0.68696 0.73496 1.00000
Th3 Th 0.00000 0.81304 0.23496 1.00000
Th4 Th 0.00000 0.18696 0.76504 1.00000
