Li2P4PdO12
Alexandria ALEXAlex-ID: agm020117846 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D12_3_spg2
Li2P4PdO12
2025-01-26 05:35:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020117846).
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 agm020117846
data_agm020117846
_cell_length_a 5.40212
_cell_length_b 7.10290
_cell_length_c 7.24368
_cell_angle_alpha 109.61881
_cell_angle_beta 93.62208
_cell_angle_gamma 104.26770
_cell_volume 250.47146
_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 0.63273 0.71689 0.56596 1.00000
Li2 Li 0.36727 0.28311 0.43404 1.00000
P1 P 0.30202 0.78112 0.21163 1.00000
P2 P 0.86856 0.42922 0.22438 1.00000
P3 P 0.13144 0.57078 0.77562 1.00000
P4 P 0.69798 0.21888 0.78837 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
O1 O 0.53220 0.79731 0.34287 1.00000
O2 O 0.30789 0.63488 0.98731 1.00000
O3 O 0.73632 0.01331 0.79327 1.00000
O4 O 0.03503 0.66403 0.26465 1.00000
O5 O 0.94516 0.70558 0.79958 1.00000
O6 O 0.30091 0.56099 0.62074 1.00000
O7 O 0.69909 0.43901 0.37926 1.00000
O8 O 0.05484 0.29442 0.20042 1.00000
O9 O 0.96497 0.33597 0.73535 1.00000
O10 O 0.26368 0.98669 0.20673 1.00000
O11 O 0.69211 0.36512 0.01269 1.00000
O12 O 0.46780 0.20269 0.65713 1.00000
Get direct link