AsH6N
Alexandria ALEXAlex-ID: agm079447337 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_911_spg2
AsH H9N H3N
2025-06-27 11:01:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079447337).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm079447337
data_agm079447337
_cell_length_a 2.97978
_cell_length_b 8.01912
_cell_length_c 4.75064
_cell_angle_alpha 71.92024
_cell_angle_beta 85.35040
_cell_angle_gamma 71.73096
_cell_volume 102.45690
_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 0.34028 0.16528 0.20335 1.00000
H1 H 0.39543 0.14870 0.88244 1.00000
H2 H 0.05666 0.90083 0.24750 1.00000
H3 H 0.55229 0.55760 0.62197 1.00000
H4 H 0.90318 0.70148 0.02808 1.00000
H5 H 0.89686 0.77988 0.88910 1.00000
H6 H 0.64801 0.49133 0.53357 1.00000
N1 N 0.95729 0.00490 0.34400 1.00000
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