TbY3Th2
Alexandria ALEXAlex-ID: agm017152494 · 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_4827_spg2
TbYTh2 Y2Th Tb5Y
2025-04-14 14:37:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017152494).
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
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# CIF generated by HEAS from Alexandria entry agm017152494
data_agm017152494
_cell_length_a 9.46865
_cell_length_b 9.46865
_cell_length_c 10.10815
_cell_angle_alpha 57.69846
_cell_angle_beta 122.30154
_cell_angle_gamma 148.95289
_cell_volume 388.92194
_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 0.58490 0.41510 0.95866 1.00000
Tb2 Tb 0.41510 0.58490 0.04134 1.00000
Y1 Y 0.91517 0.08483 0.78703 1.00000
Y2 Y 0.08483 0.91517 0.21297 1.00000
Y3 Y 0.41591 0.58409 0.54012 1.00000
Y4 Y 0.58409 0.41591 0.45988 1.00000
Y5 Y 0.24986 0.75014 0.12622 1.00000
Y6 Y 0.75014 0.24986 0.87378 1.00000
Th1 Th 0.08253 0.91747 0.70301 1.00000
Th2 Th 0.91747 0.08253 0.29699 1.00000
Th3 Th 0.24711 0.75289 0.61887 1.00000
Th4 Th 0.75289 0.24711 0.38113 1.00000
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