Er3Np5
Alexandria ALEXAlex-ID: agm009697293 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5_1653_spg13
Np Er
2024-07-09 09:46:51.153790
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009697293).
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 agm009697293
data_agm009697293
_cell_length_a 4.78535
_cell_length_b 6.38364
_cell_length_c 12.60342
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 385.00899
_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 0.17313 0.26281 1.00000
Er2 Er 0.00000 0.82687 0.76281 1.00000
Er3 Er 0.50000 0.17313 0.73719 1.00000
Er4 Er 0.00000 0.82687 0.23719 1.00000
Er5 Er 0.00000 0.94174 0.50000 1.00000
Er6 Er 0.50000 0.05826 0.00000 1.00000
Np1 Np 0.00000 0.37519 0.90324 1.00000
Np2 Np 0.50000 0.62481 0.40324 1.00000
Np3 Np 0.00000 0.37519 0.09676 1.00000
Np4 Np 0.50000 0.62481 0.59676 1.00000
Np5 Np 0.00000 0.44249 0.40320 1.00000
Np6 Np 0.50000 0.55751 0.90320 1.00000
Np7 Np 0.00000 0.44249 0.59680 1.00000
Np8 Np 0.50000 0.55751 0.09680 1.00000
Np9 Np 0.50000 0.20835 0.50000 1.00000
Np10 Np 0.00000 0.79165 0.00000 1.00000
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