Ho(BeN)2
Alexandria ALEXAlex-ID: agm002201260 · 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
AB2C2_142_spg140
HoBe13 Be3N2 HoN
2023-03-24 09:55:34.335243
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201260).
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 agm002201260
data_agm002201260
_cell_length_a 5.06547
_cell_length_b 5.21564
_cell_length_c 5.21564
_cell_angle_alpha 96.45642
_cell_angle_beta 115.54715
_cell_angle_gamma 115.54715
_cell_volume 104.35829
_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 0.25705 0.85400 0.35400 1.00000
Be2 Be 0.50000 0.37655 0.12345 1.00000
Be3 Be 0.74295 0.14600 0.64600 1.00000
Be4 Be 0.50000 0.62345 0.87655 1.00000
Ho1 Ho 1.00000 0.76506 0.73494 1.00000
Ho2 Ho 0.00000 0.23494 0.26506 1.00000
N1 N 0.50000 0.82537 0.67463 1.00000
N2 N 0.14977 0.31981 0.81981 1.00000
N3 N 0.85023 0.68019 0.18019 1.00000
N4 N 0.50000 0.17463 0.32537 1.00000
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