LiP(HO)2
Alexandria ALEXAlex-ID: agm097954750 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_1133_spg9
LiP(HO2)2 PH3 Li3PO4
2025-04-30 09:48:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097954750).
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 agm097954750
data_agm097954750
_cell_length_a 5.48076
_cell_length_b 5.46857
_cell_length_c 6.36634
_cell_angle_alpha 88.67163
_cell_angle_beta 89.04413
_cell_angle_gamma 73.26410
_cell_volume 182.67004
_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 0.24308 0.15175 0.03413 1.00000
Li2 Li 0.14871 0.24384 0.53480 1.00000
P1 P 0.72925 0.14975 0.29720 1.00000
P2 P 0.15029 0.72733 0.79968 1.00000
H1 H 0.39872 0.69720 0.31851 1.00000
H2 H 0.69745 0.39513 0.80823 1.00000
H3 H 0.50251 0.71397 0.24560 1.00000
H4 H 0.71214 0.49912 0.73389 1.00000
O1 O 0.58518 0.15227 0.09570 1.00000
O2 O 0.18921 0.99326 0.76798 1.00000
O3 O 0.99360 0.19103 0.26608 1.00000
O4 O 0.14985 0.58535 0.59820 1.00000
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