Y2Er5Np2
Alexandria ALEXAlex-ID: agm010021556 · 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
A2B2C5_368_spg12
Y5Er YEr5 Np
2024-07-14 09:13:59.918532
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010021556).
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
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# CIF generated by HEAS from Alexandria entry agm010021556
data_agm010021556
_cell_length_a 6.21104
_cell_length_b 6.21104
_cell_length_c 10.66213
_cell_angle_alpha 68.38025
_cell_angle_beta 68.38025
_cell_angle_gamma 43.63270
_cell_volume 260.51091
_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
Y1 Y 0.66874 0.66874 0.44194 1.00000
Y2 Y 0.33126 0.33126 0.55806 1.00000
Er1 Er 0.65413 0.65413 0.78167 1.00000
Er2 Er 0.34587 0.34587 0.21833 1.00000
Er3 Er 0.97666 0.97666 0.69051 1.00000
Er4 Er 0.02334 0.02334 0.30949 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.70344 0.70344 0.06507 1.00000
Np2 Np 0.29656 0.29656 0.93493 1.00000
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