Pm5Dy5Er2
Alexandria ALEXAlex-ID: agm005650191 · 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
A2B5C5_18_spg12
PmDyEr4 Pm3Dy5 Pm3Dy2Er
2023-06-19 05:34:42.286184
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005650191).
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 agm005650191
data_agm005650191
_cell_length_a 5.05444
_cell_length_b 8.00444
_cell_length_c 10.75363
_cell_angle_alpha 72.73406
_cell_angle_beta 76.40774
_cell_angle_gamma 71.59528
_cell_volume 389.39032
_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
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.33380 0.33286 0.99954 1.00000
Pm3 Pm 0.41645 0.91668 0.25042 1.00000
Pm4 Pm 0.58355 0.08332 0.74958 1.00000
Pm5 Pm 0.66620 0.66714 0.00046 1.00000
Dy1 Dy 0.83274 0.83379 0.50074 1.00000
Dy2 Dy 0.25130 0.74941 0.74799 1.00000
Dy3 Dy 0.74870 0.25059 0.25201 1.00000
Dy4 Dy 0.16726 0.16621 0.49926 1.00000
Dy5 Dy 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.91653 0.41771 0.74922 1.00000
Er2 Er 0.08347 0.58229 0.25078 1.00000
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