Er5PuN6
Alexandria ALEXAlex-ID: agm035102480 · 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
AB5C6_53_spg71
Er4PuN5 ErN
2024-08-25 00:05:42.588188
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035102480).
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 agm035102480
data_agm035102480
_cell_length_a 7.65918
_cell_length_b 7.65918
_cell_length_c 6.86783
_cell_angle_alpha 77.04472
_cell_angle_beta 77.04472
_cell_angle_gamma 25.95305
_cell_volume 171.58784
_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
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.83198 0.83198 0.83158 1.00000
Er3 Er 0.16802 0.16802 0.16842 1.00000
Er4 Er 0.83217 0.83217 0.33636 1.00000
Er5 Er 0.16783 0.16783 0.66364 1.00000
Pu1 Pu 0.50000 0.50000 0.00000 1.00000
N1 N 0.33501 0.33501 0.08222 1.00000
N2 N 0.66699 0.66699 0.41620 1.00000
N3 N 0.66499 0.66499 0.91778 1.00000
N4 N 0.99978 0.99978 0.75413 1.00000
N5 N 0.00022 0.00022 0.24587 1.00000
N6 N 0.33301 0.33301 0.58380 1.00000
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