Pr4Ho3Sc
Alexandria ALEXAlex-ID: agm005995690 · 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
AB3C4_380_spg71
Pr2Ho7 Pr Sc
2023-10-05 08:08:06.659939
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995690).
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 agm005995690
data_agm005995690
_cell_length_a 3.50382
_cell_length_b 11.54637
_cell_length_c 8.87791
_cell_angle_alpha 130.56365
_cell_angle_beta 101.38108
_cell_angle_gamma 90.00000
_cell_volume 263.48872
_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 0.63184 0.37670 0.26368 1.00000
Pr2 Pr 0.36816 0.62330 0.73632 1.00000
Pr3 Pr 0.36818 0.11304 0.73636 1.00000
Pr4 Pr 0.63182 0.88696 0.26364 1.00000
Sc1 Sc 0.50000 0.00000 0.00000 1.00000
Ho1 Ho 0.00000 0.50000 0.00000 1.00000
Ho2 Ho 0.76355 0.76356 0.52710 1.00000
Ho3 Ho 0.23645 0.23644 0.47290 1.00000
获取直接链接