BeNiSe
Alexandria ALEXAlex-ID: agm003045643 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_545_spg164
Be3Ni5 Ni3Se2 BeSe
2015-04-09 12:40:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003045643).
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 agm003045643
data_agm003045643
_cell_length_a 4.09962
_cell_length_b 8.40799
_cell_length_c 3.54407
_cell_angle_alpha 77.83273
_cell_angle_beta 64.14795
_cell_angle_gamma 107.21327
_cell_volume 96.45966
_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
Be1 Be 0.99603 0.32309 0.47230 1.00000
Be2 Be 0.61826 0.23041 0.20770 1.00000
Se1 Se 0.49640 0.62044 0.06105 1.00000
Se2 Se 0.37307 0.06654 0.91299 1.00000
Ni1 Ni 0.99335 0.52380 0.86586 1.00000
Ni2 Ni 0.41068 0.36542 0.74481 1.00000
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