Tb2PrEr6
Alexandria ALEXAlex-ID: agm024694096 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_733_spg12
Tb2PrEr6
2025-01-03 09:03:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024694096).
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 agm024694096
data_agm024694096
_cell_length_a 9.44202
_cell_length_b 9.44202
_cell_length_c 9.48313
_cell_angle_alpha 64.76981
_cell_angle_beta 115.23019
_cell_angle_gamma 158.22155
_cell_volume 282.58117
_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 0.33220 0.66780 0.99912 1.00000
Tb2 Tb 0.66780 0.33220 0.00088 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.85218 0.14782 0.33483 1.00000
Er2 Er 0.14782 0.85218 0.66517 1.00000
Er3 Er 0.81379 0.18621 0.66346 1.00000
Er4 Er 0.18621 0.81379 0.33654 1.00000
Er5 Er 0.51926 0.48074 0.33729 1.00000
Er6 Er 0.48074 0.51926 0.66271 1.00000
