NdY3(HoAs3)2
Alexandria ALEXAlex-ID: agm034957736 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_498_spg12
Y2HoAs3 YHo3As4 NdAs
2024-12-02 21:03:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034957736).
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 agm034957736
data_agm034957736
_cell_length_a 9.25849
_cell_length_b 9.25849
_cell_length_c 8.28400
_cell_angle_alpha 77.07291
_cell_angle_beta 102.92709
_cell_angle_gamma 154.14175
_cell_volume 301.43939
_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
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.83267 0.16733 0.16595 1.00000
Y3 Y 0.16733 0.83267 0.83405 1.00000
Ho1 Ho 0.16639 0.83361 0.33241 1.00000
Ho2 Ho 0.83361 0.16639 0.66759 1.00000
As1 As 0.33058 0.66942 0.41661 1.00000
As2 As 0.33328 0.66672 0.91566 1.00000
As3 As 0.66942 0.33058 0.58339 1.00000
As4 As 0.99992 0.00008 0.75607 1.00000
As5 As 0.00008 0.99992 0.24393 1.00000
As6 As 0.66672 0.33328 0.08434 1.00000
获取直接链接