Y2Np5Sc2
Alexandria ALEXAlex-ID: agm009707017 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_552_spg12
Y Np Sc
2024-04-01 11:01:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009707017).
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 agm009707017
data_agm009707017
_cell_length_a 6.19385
_cell_length_b 6.92145
_cell_length_c 5.64550
_cell_angle_alpha 86.69836
_cell_angle_beta 118.61016
_cell_angle_gamma 101.77321
_cell_volume 207.77689
_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 0.32349 0.09145 0.64394 1.00000
Y2 Y 0.67651 0.90855 0.35606 1.00000
Np1 Np 0.97197 0.40292 0.66835 1.00000
Np2 Np 0.02803 0.59708 0.33165 1.00000
Np3 Np 0.13102 0.70909 0.97004 1.00000
Np4 Np 0.86898 0.29091 0.02996 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.54418 0.62511 0.77401 1.00000
Sc2 Sc 0.45582 0.37489 0.22599 1.00000
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