Ca(PmDy)2
Alexandria ALEXAlex-ID: agm005936645 · 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
AB2C2_181_spg10
Pm3Dy5 Ca Pm
2023-08-05 14:57:38.261973
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005936645).
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 agm005936645
data_agm005936645
_cell_length_a 5.58070
_cell_length_b 3.56534
_cell_length_c 9.21393
_cell_angle_alpha 90.01537
_cell_angle_beta 107.62821
_cell_angle_gamma 89.99999
_cell_volume 174.72133
_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
Ca1 Ca 0.00000 0.50000 0.00000 1.00000
Pm1 Pm 0.62066 0.99976 0.24131 1.00000
Pm2 Pm 0.37934 0.00024 0.75869 1.00000
Dy1 Dy 0.79879 0.50018 0.59758 1.00000
Dy2 Dy 0.20121 0.49983 0.40242 1.00000
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