La3Pm2HoTm6
Alexandria ALEXAlex-ID: agm017431633 · 空间群: P-31m (#162)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_400_spg12
LaHoTm HoTm5 LaPm LaTm2
2025-02-07 08:02:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017431633).
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 agm017431633
data_agm017431633
_cell_length_a 6.22970
_cell_length_b 6.22970
_cell_length_c 11.50048
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 386.52744
_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
La1 La 0.33333 0.66667 0.50000 1.00000
La2 La 0.66667 0.33333 0.50000 1.00000
La3 La 0.00000 0.00000 0.50000 1.00000
Pm1 Pm 0.66667 0.33333 0.00000 1.00000
Pm2 Pm 0.33333 0.66667 0.00000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.33286 0.00000 0.24701 1.00000
Tm2 Tm 0.00000 0.66714 0.75299 1.00000
Tm3 Tm 0.66714 0.00000 0.75299 1.00000
Tm4 Tm 0.66714 0.66714 0.24701 1.00000
Tm5 Tm 0.00000 0.33286 0.24701 1.00000
Tm6 Tm 0.33286 0.33286 0.75299 1.00000
获取直接链接