DyHoAs2
Alexandria ALEXAlex-ID: agm080251557 · 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
ABC2_12496_spg2
DyHoAs2
2025-02-04 07:02:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080251557).
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 agm080251557
data_agm080251557
_cell_length_a 7.11416
_cell_length_b 9.18831
_cell_length_c 10.07099
_cell_angle_alpha 111.42592
_cell_angle_beta 90.00413
_cell_angle_gamma 104.94973
_cell_volume 588.80997
_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 0.70832 0.87514 0.95816 1.00000
Dy2 Dy 0.29168 0.12486 0.04184 1.00000
Dy3 Dy 0.12488 0.62489 0.87481 1.00000
Dy4 Dy 0.87512 0.37511 0.12519 1.00000
Dy5 Dy 0.04154 0.87474 0.29196 1.00000
Dy6 Dy 0.95846 0.12526 0.70804 1.00000
Ho1 Ho 0.37508 0.87508 0.62494 1.00000
Ho2 Ho 0.62492 0.12492 0.37506 1.00000
Ho3 Ho 0.45823 0.62470 0.20871 1.00000
Ho4 Ho 0.54177 0.37530 0.79129 1.00000
Ho5 Ho 0.79162 0.62504 0.54139 1.00000
Ho6 Ho 0.20838 0.37496 0.45861 1.00000
As1 As 0.70730 0.87460 0.45823 1.00000
As2 As 0.04177 0.87464 0.79082 1.00000
As3 As 0.95823 0.12536 0.20918 1.00000
As4 As 0.29270 0.12540 0.54177 1.00000
As5 As 0.45850 0.62477 0.70755 1.00000
As6 As 0.62453 0.12526 0.87439 1.00000
As7 As 0.37547 0.87474 0.12561 1.00000
As8 As 0.54150 0.37523 0.29245 1.00000
As9 As 0.79054 0.62457 0.04154 1.00000
As10 As 0.12564 0.62493 0.37575 1.00000
As11 As 0.87436 0.37507 0.62425 1.00000
As12 As 0.20946 0.37543 0.95846 1.00000
