AsH6N
Alexandria ALEXAlex-ID: agm076202571 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_743_spg2
AsH H9N H3N
2025-06-13 14:47:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076202571).
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 agm076202571
data_agm076202571
_cell_length_a 7.64959
_cell_length_b 4.40877
_cell_length_c 4.55609
_cell_angle_alpha 39.74659
_cell_angle_beta 70.41543
_cell_angle_gamma 73.71056
_cell_volume 92.49643
_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
As1 As 0.34054 0.53528 0.47060 1.00000
H1 H 0.70548 0.27287 0.84859 1.00000
H2 H 0.06419 0.97743 0.04066 1.00000
H3 H 0.22200 0.79325 0.82604 1.00000
H4 H 0.95508 0.02850 0.48471 1.00000
H5 H 0.86320 0.13568 0.40457 1.00000
H6 H 0.64681 0.32675 0.97572 1.00000
N1 N 0.20271 0.93024 0.94912 1.00000
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