LiCoP2O7
Alexandria ALEXAlex-ID: agm005281907 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_227_spg2
LiCoP2O7
2023-05-09 01:56:14.822827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005281907).
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 agm005281907
data_agm005281907
_cell_length_a 4.93227
_cell_length_b 6.07672
_cell_length_c 8.97135
_cell_angle_alpha 74.42455
_cell_angle_beta 86.02407
_cell_angle_gamma 85.74660
_cell_volume 257.95977
_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 0.79482 0.20063 0.47325 1.00000
Li2 Li 0.20518 0.79937 0.52675 1.00000
Co1 Co 0.74342 0.51008 0.77055 1.00000
Co2 Co 0.25658 0.48992 0.22945 1.00000
P1 P 0.72947 0.76194 0.33935 1.00000
P2 P 0.77980 0.21554 0.12503 1.00000
P3 P 0.22020 0.78446 0.87497 1.00000
P4 P 0.27053 0.23806 0.66065 1.00000
O1 O 0.93340 0.72544 0.85671 1.00000
O2 O 0.92745 0.55352 0.33081 1.00000
O3 O 0.80382 0.86703 0.46532 1.00000
O4 O 0.68204 0.28501 0.96001 1.00000
O5 O 0.77515 0.94070 0.17113 1.00000
O6 O 0.56557 0.30848 0.64492 1.00000
O7 O 0.57551 0.29476 0.24324 1.00000
O8 O 0.42449 0.70524 0.75676 1.00000
O9 O 0.43443 0.69152 0.35508 1.00000
O10 O 0.22485 0.05930 0.82887 1.00000
O11 O 0.31796 0.71499 0.03999 1.00000
O12 O 0.19618 0.13297 0.53468 1.00000
O13 O 0.07255 0.44648 0.66919 1.00000
O14 O 0.06660 0.27456 0.14329 1.00000
