Tb2PmSe3
Alexandria ALEXAlex-ID: agm033189870 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
Tb4PmSe5 TbPm3Se4
2025-01-21 21:38:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033189870).
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 agm033189870
data_agm033189870
_cell_length_a 13.61138
_cell_length_b 12.97431
_cell_length_c 7.17494
_cell_angle_alpha 79.30764
_cell_angle_beta 69.49578
_cell_angle_gamma 31.19658
_cell_volume 597.49858
_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
Tb1 Tb 0.00128 0.00128 0.49872 1.00000
Tb2 Tb 0.41486 0.41486 0.58514 1.00000
Tb3 Tb 0.83514 0.83514 0.66486 1.00000
Tb4 Tb 0.24872 0.24872 0.75128 1.00000
Tb5 Tb 0.75128 0.75128 0.24872 1.00000
Tb6 Tb 0.66486 0.66486 0.83514 1.00000
Tb7 Tb 0.58514 0.58514 0.41486 1.00000
Tb8 Tb 0.49872 0.49872 0.00128 1.00000
Pm1 Pm 0.91589 0.91589 0.08411 1.00000
Pm2 Pm 0.33411 0.33411 0.16589 1.00000
Pm3 Pm 0.16589 0.16589 0.33411 1.00000
Pm4 Pm 0.08411 0.08411 0.91589 1.00000
Se1 Se 0.66919 0.16742 0.82445 1.00000
Se2 Se 0.16742 0.66919 0.33894 1.00000
Se3 Se 0.58081 0.08258 0.42555 1.00000
Se4 Se 0.08258 0.58081 0.91106 1.00000
Se5 Se 0.50757 0.99243 0.99243 1.00000
Se6 Se 0.99243 0.50757 0.50757 1.00000
Se7 Se 0.91106 0.42555 0.08258 1.00000
Se8 Se 0.42555 0.91106 0.58081 1.00000
Se9 Se 0.33894 0.82445 0.16742 1.00000
Se10 Se 0.82445 0.33894 0.66919 1.00000
Se11 Se 0.74243 0.25757 0.25757 1.00000
Se12 Se 0.25757 0.74243 0.74243 1.00000
