Al(PH2)3
Alexandria ALEXAlex-ID: agm071032902 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_2654_spg212
PH3 AlP
2024-08-06 21:13:09.460368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071032902).
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 agm071032902
data_agm071032902
_cell_length_a 7.90649
_cell_length_b 7.90649
_cell_length_c 7.90649
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 494.25455
_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 0.62500 0.62500 0.62500 1.00000
Al2 Al 0.87500 0.37500 0.12500 1.00000
Al3 Al 0.37500 0.12500 0.87500 1.00000
Al4 Al 0.12500 0.87500 0.37500 1.00000
P1 P 0.62500 0.25365 0.99635 1.00000
P2 P 0.87500 0.74635 0.49635 1.00000
P3 P 0.37500 0.75365 0.50365 1.00000
P4 P 0.12500 0.24635 0.00365 1.00000
P5 P 0.99635 0.62500 0.25365 1.00000
P6 P 0.49635 0.87500 0.74635 1.00000
P7 P 0.50365 0.37500 0.75365 1.00000
P8 P 0.00365 0.12500 0.24635 1.00000
P9 P 0.25365 0.99635 0.62500 1.00000
P10 P 0.74635 0.49635 0.87500 1.00000
P11 P 0.75365 0.50365 0.37500 1.00000
P12 P 0.24635 0.00365 0.12500 1.00000
H1 H 0.92093 0.99634 0.76433 1.00000
H2 H 0.57907 0.00366 0.26433 1.00000
H3 H 0.07907 0.49634 0.73567 1.00000
H4 H 0.42093 0.50366 0.23567 1.00000
H5 H 0.76433 0.92093 0.99634 1.00000
H6 H 0.26433 0.57907 0.00366 1.00000
H7 H 0.73567 0.07907 0.49634 1.00000
H8 H 0.23567 0.42093 0.50366 1.00000
H9 H 0.99634 0.76433 0.92093 1.00000
H10 H 0.00366 0.26433 0.57907 1.00000
H11 H 0.49634 0.73567 0.07907 1.00000
H12 H 0.50366 0.23567 0.42093 1.00000
H13 H 0.24634 0.67093 0.98567 1.00000
H14 H 0.25366 0.32907 0.48567 1.00000
H15 H 0.74634 0.82907 0.01433 1.00000
H16 H 0.75366 0.17093 0.51433 1.00000
H17 H 0.17093 0.51433 0.75366 1.00000
H18 H 0.82907 0.01433 0.74634 1.00000
H19 H 0.32907 0.48567 0.25366 1.00000
H20 H 0.67093 0.98567 0.24634 1.00000
H21 H 0.01433 0.74634 0.82907 1.00000
H22 H 0.51433 0.75366 0.17093 1.00000
H23 H 0.98567 0.24634 0.67093 1.00000
H24 H 0.48567 0.25366 0.32907 1.00000
