CePmNd
Alexandria ALEXAlex-ID: agm005654729 · 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
ABC_1857_spg8
Pm2Nd Ce Nd
2023-06-19 10:50:52.912949
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654729).
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 agm005654729
data_agm005654729
_cell_length_a 6.39223
_cell_length_b 4.22080
_cell_length_c 13.59316
_cell_angle_alpha 140.87402
_cell_angle_beta 59.12871
_cell_angle_gamma 109.24500
_cell_volume 197.04748
_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
Ce1 Ce 0.36070 0.77953 0.60833 1.00000
Ce2 Ce 0.67542 0.27196 0.54249 1.00000
Pm1 Pm 0.28199 0.17419 0.98208 1.00000
Pm2 Pm 0.75416 0.87729 0.16873 1.00000
Nd1 Nd 0.82936 0.51649 0.80971 1.00000
Nd2 Nd 0.20677 0.53505 0.34112 1.00000
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