Tb2Dy7Th2
Alexandria ALEXAlex-ID: agm005568993 · 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
A2B2C7_231_spg12
Tb3Dy3Th2 TbDy5 DyTh
2023-06-05 03:10:13.791439
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005568993).
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 agm005568993
data_agm005568993
_cell_length_a 6.51271
_cell_length_b 6.51271
_cell_length_c 8.74562
_cell_angle_alpha 98.17903
_cell_angle_beta 98.17902
_cell_angle_gamma 95.30358
_cell_volume 361.03031
_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 0.61104 0.61104 0.84719 1.00000
Tb2 Tb 0.38896 0.38896 0.15281 1.00000
Dy1 Dy 0.91563 0.55304 0.20374 1.00000
Dy2 Dy 0.44696 0.08437 0.79626 1.00000
Dy3 Dy 0.08437 0.44696 0.79626 1.00000
Dy4 Dy 0.55304 0.91563 0.20374 1.00000
Dy5 Dy 0.00000 0.00000 0.00000 1.00000
Dy6 Dy 0.85139 0.85139 0.58975 1.00000
Dy7 Dy 0.14861 0.14861 0.41025 1.00000
Th1 Th 0.32456 0.67544 0.50000 1.00000
Th2 Th 0.67544 0.32456 0.50000 1.00000
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