PmNd7Er4
Alexandria ALEXAlex-ID: agm003669935 · 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
AB4C7_85_spg12
Pm(NdEr3)2 Pm2NdEr6 Nd
2022-04-27 15:44:27.364119
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669935).
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 agm003669935
data_agm003669935
_cell_length_a 6.02965
_cell_length_b 11.70587
_cell_length_c 6.76911
_cell_angle_alpha 83.15815
_cell_angle_beta 63.55238
_cell_angle_gamma 75.07537
_cell_volume 413.33945
_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 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.79007 0.91963 0.50023 1.00000
Nd2 Nd 0.20993 0.08037 0.49977 1.00000
Nd3 Nd 0.05880 0.67441 0.20800 1.00000
Nd4 Nd 0.94120 0.32559 0.79200 1.00000
Nd5 Nd 0.36853 0.50291 0.76003 1.00000
Nd6 Nd 0.50000 0.00000 0.00000 1.00000
Nd7 Nd 0.63147 0.49709 0.23997 1.00000
Er1 Er 0.63900 0.22498 0.49701 1.00000
Er2 Er 0.36100 0.77502 0.50299 1.00000
Er3 Er 0.74968 0.68342 0.81721 1.00000
Er4 Er 0.25032 0.31658 0.18279 1.00000
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