AsH8NO4
Alexandria ALEXAlex-ID: agm005284644 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_112_spg122
AsN H2O
2023-05-11 07:59:18.260923
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284644).
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 agm005284644
data_agm005284644
_cell_length_a 7.34769
_cell_length_b 7.34769
_cell_length_c 7.34769
_cell_angle_alpha 112.74528
_cell_angle_beta 112.74528
_cell_angle_gamma 103.10463
_cell_volume 302.58865
_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 0.25000 0.75000 0.50000 1.00000
As2 As 0.00000 0.00000 0.00000 1.00000
H1 H 0.40756 0.33092 0.87254 1.00000
H2 H 0.45838 0.53502 0.12746 1.00000
H3 H 0.66908 0.54162 0.07664 1.00000
H4 H 0.79162 0.41908 0.57664 1.00000
H5 H 0.46498 0.59244 0.92336 1.00000
H6 H 0.84244 0.21498 0.42336 1.00000
H7 H 0.78502 0.20838 0.62746 1.00000
H8 H 0.58092 0.15756 0.37254 1.00000
H9 H 0.81640 0.23095 0.96087 1.00000
H10 H 0.27009 0.85553 0.03913 1.00000
H11 H 0.76905 0.72991 0.58545 1.00000
H12 H 0.97991 0.51905 0.08545 1.00000
H13 H 0.14447 0.18360 0.41455 1.00000
H14 H 0.43360 0.89447 0.91455 1.00000
H15 H 0.10553 0.02009 0.53913 1.00000
H16 H 0.48095 0.56640 0.46087 1.00000
N1 N 0.75000 0.25000 0.50000 1.00000
N2 N 0.50000 0.50000 0.00000 1.00000
O1 O 0.24923 0.04817 0.65648 1.00000
O2 O 0.39169 0.59274 0.34352 1.00000
O3 O 0.95183 0.60831 0.20105 1.00000
O4 O 0.85831 0.70183 0.70105 1.00000
O5 O 0.40726 0.75077 0.79895 1.00000
O6 O 0.00077 0.15726 0.29895 1.00000
O7 O 0.84274 0.14169 0.84352 1.00000
O8 O 0.29817 0.99923 0.15648 1.00000
