Pr2Dy8Mg
Alexandria ALEXAlex-ID: agm005992091 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_259_spg8
Pr2DyMg3 PrDy5 Dy
2023-09-27 04:06:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992091).
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
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# CIF generated by HEAS from Alexandria entry agm005992091
data_agm005992091
_cell_length_a 5.53965
_cell_length_b 7.71349
_cell_length_c 9.63546
_cell_angle_alpha 113.59438
_cell_angle_beta 106.70605
_cell_angle_gamma 90.00000
_cell_volume 358.26059
_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 0.19555 0.69553 0.39109 1.00000
Pr2 Pr 0.80445 0.30447 0.60891 1.00000
Dy1 Dy 0.63484 0.85704 0.26968 1.00000
Dy2 Dy 0.36517 0.58737 0.73033 1.00000
Dy3 Dy 0.17358 0.17359 0.34716 1.00000
Dy4 Dy 1.00000 0.26778 0.99999 1.00000
Dy5 Dy 0.82642 0.82641 0.65283 1.00000
Dy6 Dy 0.63483 0.41263 0.26967 1.00000
Dy7 Dy 0.36516 0.14296 0.73032 1.00000
Dy8 Dy 0.00000 0.73222 0.00001 1.00000
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
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