AgPH2
Alexandria ALEXAlex-ID: agm005704928 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8009_spg8
PH3 Ag Ag3P11
2023-07-09 22:26:26.543145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704928).
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 agm005704928
data_agm005704928
_cell_length_a 4.71105
_cell_length_b 4.76950
_cell_length_c 4.32262
_cell_angle_alpha 119.04355
_cell_angle_beta 91.56508
_cell_angle_gamma 119.48123
_cell_volume 69.24766
_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
Ag1 Ag 0.26898 0.36727 0.38520 1.00000
P1 P 0.73188 0.28959 0.45094 1.00000
H1 H 0.80895 0.42559 0.83866 1.00000
H2 H 0.52481 0.88078 0.31420 1.00000
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