Tb3(DyHg)2
Alexandria ALEXAlex-ID: agm023909656 · 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
A2B2C3_99_spg12
TbDyHg Tb2Hg Tb5Dy
2025-05-09 04:13:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023909656).
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}
}
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# CIF generated by HEAS from Alexandria entry agm023909656
data_agm023909656
_cell_length_a 6.65334
_cell_length_b 6.65334
_cell_length_c 8.55951
_cell_angle_alpha 81.07173
_cell_angle_beta 98.92827
_cell_angle_gamma 147.52112
_cell_volume 200.79105
_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 0.00000 0.00000 0.00000 1.00000
Tb2 Tb 0.25552 0.74448 0.83359 1.00000
Tb3 Tb 0.74448 0.25552 0.16641 1.00000
Dy1 Dy 0.87056 0.12944 0.55873 1.00000
Dy2 Dy 0.12944 0.87056 0.44127 1.00000
Hg1 Hg 0.44470 0.55530 0.26982 1.00000
Hg2 Hg 0.55530 0.44470 0.73018 1.00000
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