Li3LaP2
Alexandria ALEXAlex-ID: agm005867321 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6_spg12
Li3LaP2
2023-08-22 10:21:11.557844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005867321).
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 agm005867321
data_agm005867321
_cell_length_a 4.08465
_cell_length_b 8.35364
_cell_length_c 7.94471
_cell_angle_alpha 55.97121
_cell_angle_beta 75.10388
_cell_angle_gamma 75.84870
_cell_volume 215.39461
_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 0.30741 0.46971 0.91548 1.00000
Li2 Li 0.93776 0.41047 0.71401 1.00000
Li3 Li 0.60152 0.33950 0.45747 1.00000
Li4 Li 0.39848 0.66050 0.54253 1.00000
Li5 Li 0.06224 0.58953 0.28599 1.00000
Li6 Li 0.69259 0.53029 0.08452 1.00000
La1 La 0.86851 0.04305 0.21993 1.00000
La2 La 0.13149 0.95695 0.78007 1.00000
P1 P 0.47695 0.22697 0.81913 1.00000
P2 P 0.52305 0.77303 0.18087 1.00000
P3 P 0.78816 0.72816 0.69553 1.00000
P4 P 0.21184 0.27184 0.30447 1.00000
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