TbPm(BiO4)2
Alexandria ALEXAlex-ID: agm062895887 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_5_spg82
PmBiO4 TbBiO4
2025-01-03 06:22:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062895887).
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 agm062895887
data_agm062895887
_cell_length_a 6.88232
_cell_length_b 6.88232
_cell_length_c 6.88232
_cell_angle_alpha 133.39727
_cell_angle_beta 133.39727
_cell_angle_gamma 68.03094
_cell_volume 169.12254
_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 0.75000 0.25000 0.50000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.50000 0.50000 0.00000 1.00000
Bi2 Bi 0.25000 0.75000 0.50000 1.00000
O1 O 0.79387 0.34265 0.94151 1.00000
O2 O 0.40114 0.85236 0.05849 1.00000
O3 O 0.59813 0.04865 0.95708 1.00000
O4 O 0.09157 0.64104 0.04292 1.00000
O5 O 0.95135 0.90843 0.54948 1.00000
O6 O 0.35896 0.40187 0.45052 1.00000
O7 O 0.14764 0.20613 0.54879 1.00000
O8 O 0.65735 0.59886 0.45121 1.00000
获取直接链接