AcPmDy3
Alexandria ALEXAlex-ID: agm005757523 · 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
ABC3_8432_spg12
Pm2Dy7 Pm3Dy5 Ac
2023-07-08 01:09:42.771524
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757523).
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 agm005757523
data_agm005757523
_cell_length_a 4.94295
_cell_length_b 10.30271
_cell_length_c 8.64959
_cell_angle_alpha 59.26338
_cell_angle_beta 89.99900
_cell_angle_gamma 103.85903
_cell_volume 363.60989
_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
Ac1 Ac 0.40686 0.84760 0.28823 1.00000
Ac2 Ac 0.63711 0.30649 0.13332 1.00000
Pm1 Pm 0.20946 0.45209 0.72470 1.00000
Pm2 Pm 0.83452 0.70199 0.69685 1.00000
Dy1 Dy 0.10763 0.24812 0.48829 1.00000
Dy2 Dy 0.46686 0.96644 0.62525 1.00000
Dy3 Dy 0.57711 0.18764 0.79631 1.00000
Dy4 Dy 0.93634 0.90595 0.93327 1.00000
Dy5 Dy 0.29507 0.62327 0.03856 1.00000
Dy6 Dy 0.74890 0.53081 0.38300 1.00000
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