Al2P2H7N
Alexandria ALEXAlex-ID: agm098045952 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_671_spg1
PH4 H9N AlP AlN
2025-04-30 10:06:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098045952).
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 agm098045952
data_agm098045952
_cell_length_a 5.36023
_cell_length_b 6.11788
_cell_length_c 6.70737
_cell_angle_alpha 121.60921
_cell_angle_beta 72.35806
_cell_angle_gamma 109.92372
_cell_volume 173.97137
_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
Al1 Al 0.15287 0.91161 0.93105 1.00000
Al2 Al 0.68610 0.28190 0.25807 1.00000
P1 P 0.12331 0.83632 0.55369 1.00000
P2 P 0.85574 0.56962 0.03269 1.00000
H1 H 0.67681 0.73602 0.20208 1.00000
H2 H 0.25922 0.62404 0.43261 1.00000
H3 H 0.50649 0.79858 0.98884 1.00000
H4 H 0.63633 0.92858 0.81281 1.00000
H5 H 0.36738 0.03113 0.54479 1.00000
H6 H 0.70070 0.44124 0.84393 1.00000
H7 H 0.02391 0.17408 0.13750 1.00000
N1 N 0.51115 0.95742 0.97141 1.00000
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