Al2P2H7
Alexandria ALEXAlex-ID: agm006356375 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_384_spg12
AlH9 PH4 AlP
2024-08-07 22:43:42.727122
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006356375).
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 agm006356375
data_agm006356375
_cell_length_a 6.44548
_cell_length_b 4.34246
_cell_length_c 5.80564
_cell_angle_alpha 108.58740
_cell_angle_beta 115.36632
_cell_angle_gamma 72.66262
_cell_volume 136.67515
_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 0.48326 0.13409 0.74319 1.00000
Al2 Al 0.51674 0.86591 0.25681 1.00000
P1 P 0.06133 0.25583 0.56975 1.00000
P2 P 0.93867 0.74417 0.43025 1.00000
H1 H 0.33092 0.62588 0.10108 1.00000
H2 H 0.56657 0.76032 0.57895 1.00000
H3 H 0.66908 0.37412 0.89892 1.00000
H4 H 0.43343 0.23968 0.42105 1.00000
H5 H 0.50000 0.00000 0.00000 1.00000
H6 H 0.01807 0.62404 0.21869 1.00000
H7 H 0.98193 0.37596 0.78131 1.00000
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