Pr6Sm5Ho2
Alexandria ALEXAlex-ID: agm005665697 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
PrSmHo4 PrSm4 Pr
2023-06-20 20:07:46.897301
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665697).
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 agm005665697
data_agm005665697
_cell_length_a 3.65891
_cell_length_b 11.83955
_cell_length_c 20.98705
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 909.15666
_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 0.00000 0.08315 0.36793 1.00000
Pr2 Pr 0.00000 0.91685 0.63207 1.00000
Pr3 Pr 0.00000 0.58315 0.13207 1.00000
Pr4 Pr 0.00000 0.41685 0.86793 1.00000
Pr5 Pr 0.50000 0.32584 0.13750 1.00000
Pr6 Pr 0.50000 0.67416 0.86250 1.00000
Pr7 Pr 0.50000 0.82584 0.36250 1.00000
Pr8 Pr 0.50000 0.17416 0.63750 1.00000
Pr9 Pr 0.00000 0.56177 0.41931 1.00000
Pr10 Pr 0.00000 0.43823 0.58069 1.00000
Pr11 Pr 0.00000 0.06177 0.08069 1.00000
Pr12 Pr 0.00000 0.93823 0.91931 1.00000
Sm1 Sm 0.50000 0.30260 0.44444 1.00000
Sm2 Sm 0.50000 0.69740 0.55556 1.00000
Sm3 Sm 0.50000 0.80260 0.05556 1.00000
Sm4 Sm 0.50000 0.19740 0.94444 1.00000
Sm5 Sm 0.50000 0.58917 0.27300 1.00000
Sm6 Sm 0.50000 0.41083 0.72700 1.00000
Sm7 Sm 0.50000 0.08917 0.22700 1.00000
Sm8 Sm 0.50000 0.91083 0.77300 1.00000
Sm9 Sm 0.50000 0.50000 0.00000 1.00000
Sm10 Sm 0.50000 0.00000 0.50000 1.00000
Ho1 Ho 0.00000 0.33188 0.28973 1.00000
Ho2 Ho 0.00000 0.66812 0.71027 1.00000
Ho3 Ho 0.00000 0.83188 0.21027 1.00000
Ho4 Ho 0.00000 0.16812 0.78973 1.00000
