Tb3HoBi2
Alexandria ALEXAlex-ID: agm003423940 · 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
AB2C3_904_spg12
Tb3Ho2Bi3 Tb5Bi3 Ho
2022-02-15 01:14:54.922343
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003423940).
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 agm003423940
data_agm003423940
_cell_length_a 4.32401
_cell_length_b 10.74678
_cell_length_c 10.05158
_cell_angle_alpha 125.59692
_cell_angle_beta 90.00000
_cell_angle_gamma 101.60578
_cell_volume 367.99691
_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 0.31230 0.62461 0.51613 1.00000
Tb2 Tb 0.94467 0.88934 0.55892 1.00000
Tb3 Tb 0.64192 0.28383 0.80605 1.00000
Tb4 Tb 0.35808 0.71617 0.19395 1.00000
Tb5 Tb 0.05533 0.11066 0.44108 1.00000
Tb6 Tb 0.68770 0.37539 0.48387 1.00000
Ho1 Ho 0.89032 0.78064 0.88712 1.00000
Ho2 Ho 0.10968 0.21936 0.11288 1.00000
Bi1 Bi 0.49333 0.98666 0.82848 1.00000
Bi2 Bi 0.50667 0.01334 0.17152 1.00000
Bi3 Bi 0.74766 0.49531 0.21513 1.00000
Bi4 Bi 0.25234 0.50469 0.78487 1.00000
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