Li(P3H4)2
Alexandria ALEXAlex-ID: agm072134128 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_986_spg1
LiP7 Li3P7 PH3
2024-10-06 12:34:30.701361
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072134128).
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 agm072134128
data_agm072134128
_cell_length_a 4.86207
_cell_length_b 7.23922
_cell_length_c 8.19173
_cell_angle_alpha 107.82544
_cell_angle_beta 94.50058
_cell_angle_gamma 108.38917
_cell_volume 255.53478
_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
Li1 Li 0.54282 0.91327 0.13723 1.00000
P1 P 0.61592 0.23091 0.04521 1.00000
P2 P 0.01193 0.89334 0.71577 1.00000
P3 P 0.04493 0.88201 0.22965 1.00000
P4 P 0.22924 0.70583 0.81166 1.00000
P5 P 0.99153 0.13884 0.42102 1.00000
P6 P 0.35902 0.20884 0.79354 1.00000
H1 H 0.88982 0.37714 0.04080 1.00000
H2 H 0.95894 0.53570 0.77865 1.00000
H3 H 0.30707 0.61751 0.64888 1.00000
H4 H 0.15749 0.28883 0.35063 1.00000
H5 H 0.55263 0.14195 0.68642 1.00000
H6 H 0.52273 0.38437 0.15652 1.00000
H7 H 0.89735 0.94703 0.87321 1.00000
H8 H 0.91852 0.73434 0.31078 1.00000
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