La6Pm8Mn
Alexandria ALEXAlex-ID: agm072149658 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_0_spg148
LaPm Pm Mn
2024-10-06 18:54:44.631351
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072149658).
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 agm072149658
data_agm072149658
_cell_length_a 8.34494
_cell_length_b 8.34494
_cell_length_c 8.34494
_cell_angle_alpha 72.57965
_cell_angle_beta 72.57965
_cell_angle_gamma 72.57965
_cell_volume 514.80637
_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 0.81692 0.53718 0.40057 1.00000
La2 La 0.53718 0.40057 0.81692 1.00000
La3 La 0.40057 0.81692 0.53718 1.00000
La4 La 0.18308 0.46282 0.59943 1.00000
La5 La 0.46282 0.59943 0.18308 1.00000
La6 La 0.59943 0.18308 0.46282 1.00000
Pm1 Pm 0.75157 0.75157 0.75157 1.00000
Pm2 Pm 0.24843 0.24843 0.24843 1.00000
Pm3 Pm 0.10897 0.66986 0.96747 1.00000
Pm4 Pm 0.66986 0.96747 0.10897 1.00000
Pm5 Pm 0.96747 0.10897 0.66986 1.00000
Pm6 Pm 0.89103 0.33014 0.03253 1.00000
Pm7 Pm 0.33014 0.03253 0.89103 1.00000
Pm8 Pm 0.03253 0.89103 0.33014 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
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