Tb2Y8Al
Alexandria ALEXAlex-ID: agm003522012 · 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
AB2C8_306_spg12
Tb2Y7 Tb5Y Y2Al
2022-03-13 17:13:05.474158
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003522012).
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 agm003522012
data_agm003522012
_cell_length_a 5.49963
_cell_length_b 6.45283
_cell_length_c 10.01048
_cell_angle_alpha 86.09570
_cell_angle_beta 105.94376
_cell_angle_gamma 90.00000
_cell_volume 340.73060
_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 0.75838 0.33528 0.51676 1.00000
Tb2 Tb 0.24162 0.66472 0.48324 1.00000
Y1 Y 0.42243 0.60450 0.84485 1.00000
Y2 Y 0.65752 0.87590 0.31504 1.00000
Y3 Y 0.84481 0.81135 0.68963 1.00000
Y4 Y 0.95730 0.25258 0.91461 1.00000
Y5 Y 0.15519 0.18865 0.31037 1.00000
Y6 Y 0.34248 0.12410 0.68496 1.00000
Y7 Y 0.57757 0.39550 0.15515 1.00000
Y8 Y 0.04270 0.74742 0.08539 1.00000
Al1 Al 0.50000 0.00000 0.00000 1.00000
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