Pr4DyTl5
Alexandria ALEXAlex-ID: agm003648554 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_22_spg123
Pr3DyTl4 PrTl
2022-04-07 20:12:00.473773
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003648554).
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 agm003648554
data_agm003648554
_cell_length_a 3.84886
_cell_length_b 3.84886
_cell_length_c 20.10110
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 297.77203
_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
Pr1 Pr 0.00000 0.00000 0.19360 1.00000
Pr2 Pr 0.00000 0.00000 0.39793 1.00000
Pr3 Pr 0.00000 0.00000 0.60207 1.00000
Pr4 Pr 0.00000 0.00000 0.80640 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.50000 0.50000 0.09108 1.00000
Tl2 Tl 0.50000 0.50000 0.29537 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Tl4 Tl 0.50000 0.50000 0.70463 1.00000
Tl5 Tl 0.50000 0.50000 0.90892 1.00000
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