DyErTl4
Alexandria ALEXAlex-ID: agm003752012 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_169_spg123
ErTl DyTl3
2022-04-18 11:03:25.038725
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752012).
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 agm003752012
data_agm003752012
_cell_length_a 5.03577
_cell_length_b 5.03525
_cell_length_c 7.55229
_cell_angle_alpha 89.88311
_cell_angle_beta 89.87956
_cell_angle_gamma 94.73772
_cell_volume 190.84334
_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 0.50135 0.49746 0.99813 1.00000
Er1 Er 0.00122 0.99716 0.49816 1.00000
Tl1 Tl 0.50196 0.99663 0.25054 1.00000
Tl2 Tl 0.50050 0.99813 0.74570 1.00000
Tl3 Tl 0.00206 0.49654 0.74577 1.00000
Tl4 Tl 0.00070 0.49781 0.25051 1.00000
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