As(H4N)3
Alexandria ALEXAlex-ID: agm070953735 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_405_spg1
AsH H9N H3N
2024-08-13 23:32:53.933014
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070953735).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm070953735
data_agm070953735
_cell_length_a 4.80891
_cell_length_b 6.63189
_cell_length_c 7.65704
_cell_angle_alpha 109.37443
_cell_angle_beta 109.20856
_cell_angle_gamma 103.74721
_cell_volume 200.38633
_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 0.92933 0.08900 0.97274 1.00000
H1 H 0.98080 0.94961 0.39859 1.00000
H2 H 0.10236 0.12098 0.64550 1.00000
H3 H 0.24432 0.06033 0.07263 1.00000
H4 H 0.48219 0.56230 0.21844 1.00000
H5 H 0.10739 0.60122 0.40940 1.00000
H6 H 0.21114 0.39468 0.45751 1.00000
H7 H 0.48452 0.65645 0.54623 1.00000
H8 H 0.36551 0.10290 0.55572 1.00000
H9 H 0.68935 0.49192 0.08891 1.00000
H10 H 0.48886 0.65146 0.04128 1.00000
H11 H 0.95458 0.48907 0.70923 1.00000
H12 H 0.91329 0.56769 0.78423 1.00000
N1 N 0.14404 0.10873 0.52019 1.00000
N2 N 0.27649 0.53109 0.42251 1.00000
N3 N 0.62591 0.62256 0.15691 1.00000
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