DyThAs2
Alexandria ALEXAlex-ID: agm005667154 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_56_spg141
DyTh4As5 Dy3ThAs4
2023-07-11 19:04:01.745122
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667154).
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 agm005667154
data_agm005667154
_cell_length_a 5.93819
_cell_length_b 5.93819
_cell_length_c 7.25312
_cell_angle_alpha 114.16427
_cell_angle_beta 114.16428
_cell_angle_gamma 90.00000
_cell_volume 208.54367
_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
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Dy2 Dy 0.25000 0.75000 0.50000 1.00000
Th1 Th 0.75000 0.25000 0.50000 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
As1 As 0.74739 0.74739 0.49477 1.00000
As2 As 0.49739 0.99739 0.99477 1.00000
As3 As 0.25261 0.25261 0.50523 1.00000
As4 As 0.00261 0.50261 0.00523 1.00000
