Ac4Tb4Pm3
Alexandria ALEXAlex-ID: agm005704755 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
Tb5Pm3 Ac Pm
2023-06-29 21:59:09.913292
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704755).
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 agm005704755
data_agm005704755
_cell_length_a 3.77932
_cell_length_b 5.20663
_cell_length_c 20.91280
_cell_angle_alpha 97.14253
_cell_angle_beta 95.14777
_cell_angle_gamma 90.04719
_cell_volume 406.64192
_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
Ac1 Ac 0.54733 0.54649 0.09371 1.00000
Ac2 Ac 0.45269 0.45353 0.90630 1.00000
Ac3 Ac 0.81720 0.81720 0.63388 1.00000
Ac4 Ac 0.18274 0.18283 0.36612 1.00000
Tb1 Tb 0.09367 0.09287 0.18663 1.00000
Tb2 Tb 0.27131 0.27131 0.54232 1.00000
Tb3 Tb 0.72861 0.72872 0.45768 1.00000
Tb4 Tb 0.90633 0.90716 0.81337 1.00000
Pm1 Pm 0.63627 0.63583 0.27226 1.00000
Pm2 Pm 0.36369 0.36420 0.72774 1.00000
Pm3 Pm 0.00001 0.00001 0.00000 1.00000
获取直接链接