La2Tb5Pm3
Alexandria ALEXAlex-ID: agm005607178 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_183_spg15
La3Tb4Pm Tb5Pm3 LaPm
2023-06-24 19:24:26.717061
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607178).
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 agm005607178
data_agm005607178
_cell_length_a 9.21713
_cell_length_b 9.22237
_cell_length_c 11.27215
_cell_angle_alpha 122.61996
_cell_angle_beta 122.60917
_cell_angle_gamma 71.46182
_cell_volume 679.31202
_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 0.76999 0.02245 0.74706 1.00000
La2 La 0.23001 0.97755 0.25294 1.00000
La3 La 0.47708 0.72461 0.74706 1.00000
La4 La 0.52292 0.27539 0.25294 1.00000
Tb1 Tb 0.27555 0.52555 0.05110 1.00000
Tb2 Tb 0.72445 0.47445 0.94890 1.00000
Tb3 Tb 0.02853 0.77853 0.55705 1.00000
Tb4 Tb 0.52761 0.27761 0.55522 1.00000
Tb5 Tb 0.97147 0.22147 0.44295 1.00000
Tb6 Tb 0.47239 0.72239 0.44478 1.00000
Tb7 Tb 0.87296 0.61760 0.73779 1.00000
Tb8 Tb 0.12704 0.38240 0.26221 1.00000
Tb9 Tb 0.36483 0.12019 0.73779 1.00000
Tb10 Tb 0.63517 0.87981 0.26221 1.00000
Pm1 Pm 0.22592 0.97592 0.95185 1.00000
Pm2 Pm 0.77408 0.02408 0.04815 1.00000
Pm3 Pm 0.72989 0.48270 0.25279 1.00000
Pm4 Pm 0.27011 0.51730 0.74721 1.00000
Pm5 Pm 0.02290 0.77009 0.25279 1.00000
Pm6 Pm 0.97710 0.22991 0.74721 1.00000
