TbNdDy3Er
Alexandria ALEXAlex-ID: agm020276861 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_217_spg11
TbNd3Dy4 Tb5Nd3 Tb2NdEr6 TbDy5
2024-12-11 03:12:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020276861).
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 agm020276861
data_agm020276861
_cell_length_a 9.45347
_cell_length_b 9.45347
_cell_length_c 11.55112
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 158.24577
_cell_volume 382.59754
_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
Tb1 Tb 0.72235 0.27765 0.25000 1.00000
Tb2 Tb 0.27765 0.72235 0.75000 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.83257 0.16743 0.00019 1.00000
Dy2 Dy 0.16743 0.83257 0.99981 1.00000
Dy3 Dy 0.16743 0.83257 0.50019 1.00000
Dy4 Dy 0.83257 0.16743 0.49981 1.00000
Dy5 Dy 0.38857 0.61143 0.25000 1.00000
Dy6 Dy 0.61143 0.38857 0.75000 1.00000
Er1 Er 0.05641 0.94359 0.25000 1.00000
Er2 Er 0.94359 0.05641 0.75000 1.00000
获取直接链接