Dy3TlOs
Alexandria ALEXAlex-ID: agm005802398 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_6933_spg2
Dy5TlOs2 Dy5Tl4 DyOs2
2023-07-03 18:03:54.050710
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802398).
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 agm005802398
data_agm005802398
_cell_length_a 5.84943
_cell_length_b 5.84942
_cell_length_c 8.83309
_cell_angle_alpha 102.00880
_cell_angle_beta 102.00550
_cell_angle_gamma 111.82081
_cell_volume 260.53375
_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
Dy1 Dy 0.29880 0.79881 0.09760 1.00000
Dy2 Dy 0.70120 0.20119 0.90240 1.00000
Dy3 Dy 0.07567 0.19662 0.27229 1.00000
Dy4 Dy 0.92433 0.80338 0.72771 1.00000
Dy5 Dy 0.69660 0.57571 0.27231 1.00000
Dy6 Dy 0.30340 0.42429 0.72769 1.00000
Tl1 Tl 0.71691 0.21691 0.50000 1.00000
Tl2 Tl 0.28309 0.78309 0.50000 1.00000
Os1 Os 0.25001 0.25001 0.00000 1.00000
Os2 Os 0.74999 0.74999 1.00000 1.00000
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