Pr3Ho8Tm3
Alexandria ALEXAlex-ID: agm005693697 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_31_spg71
Pr2Ho7 HoTm5 Pr
2023-06-29 10:58:50.157177
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693697).
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 agm005693697
data_agm005693697
_cell_length_a 5.63303
_cell_length_b 9.64942
_cell_length_c 9.64945
_cell_angle_alpha 101.77517
_cell_angle_beta 73.02910
_cell_angle_gamma 73.02906
_cell_volume 455.19463
_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
Pr1 Pr 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 1.00000 0.81713 0.18287 1.00000
Pr3 Pr 0.00000 0.18287 0.81713 1.00000
Ho1 Ho 0.66038 0.11898 0.55966 1.00000
Ho2 Ho 0.33962 0.88102 0.44034 1.00000
Ho3 Ho 0.66038 0.55966 0.11898 1.00000
Ho4 Ho 0.33962 0.44034 0.88102 1.00000
Ho5 Ho 0.84279 0.75969 0.55540 1.00000
Ho6 Ho 0.15721 0.24031 0.44460 1.00000
Ho7 Ho 0.84279 0.55540 0.75969 1.00000
Ho8 Ho 0.15721 0.44460 0.24031 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.79469 0.20542 0.20542 1.00000
Tm3 Tm 0.20531 0.79458 0.79458 1.00000
获取直接链接