Nd4Sm2Ho5
Alexandria ALEXAlex-ID: agm005647340 · 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
A2B4C5_218_spg12
Nd3Sm5 Nd3SmHo4 NdSm3Ho4
2023-06-22 06:35:55.713605
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647340).
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 agm005647340
data_agm005647340
_cell_length_a 5.70620
_cell_length_b 6.64616
_cell_length_c 10.06166
_cell_angle_alpha 90.99213
_cell_angle_beta 106.47284
_cell_angle_gamma 90.00007
_cell_volume 365.85953
_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 0.30488 0.92267 0.60976 1.00000
Nd2 Nd 0.97845 0.71674 0.95689 1.00000
Nd3 Nd 0.69512 0.07733 0.39024 1.00000
Nd4 Nd 0.02155 0.28326 0.04311 1.00000
Sm1 Sm 0.40163 0.44655 0.80326 1.00000
Sm2 Sm 0.59837 0.55345 0.19674 1.00000
Ho1 Ho 0.79058 0.59957 0.58116 1.00000
Ho2 Ho 0.20942 0.40043 0.41884 1.00000
Ho3 Ho 0.86901 0.10918 0.73802 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Ho5 Ho 0.13099 0.89082 0.26198 1.00000
获取直接链接