Tb3HoAl
Alexandria ALEXAlex-ID: agm005819085 · 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
ABC3_4938_spg12
Tb5Ho TbHoAl Tb2Al
2023-07-07 13:04:19.515807
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005819085).
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 agm005819085
data_agm005819085
_cell_length_a 3.60150
_cell_length_b 6.70336
_cell_length_c 12.43291
_cell_angle_alpha 84.94846
_cell_angle_beta 90.00507
_cell_angle_gamma 74.40639
_cell_volume 287.89811
_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 0.14129 0.71715 0.44881 1.00000
Tb2 Tb 0.36455 0.27153 0.01998 1.00000
Tb3 Tb 0.03445 0.93106 0.19501 1.00000
Tb4 Tb 0.85871 0.28285 0.55119 1.00000
Tb5 Tb 0.96555 0.06894 0.80499 1.00000
Tb6 Tb 0.63545 0.72847 0.98002 1.00000
Ho1 Ho 0.22240 0.55517 0.74763 1.00000
Ho2 Ho 0.77760 0.44483 0.25237 1.00000
Al1 Al 0.55172 0.89654 0.62171 1.00000
Al2 Al 0.44828 0.10346 0.37829 1.00000
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