Li8CoO5F
Alexandria ALEXAlex-ID: agm005228907 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5D8_4_spg173
Li5CoO4 Li2O LiF
2023-05-14 04:33:17.431676
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228907).
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 agm005228907
data_agm005228907
_cell_length_a 10.94765
_cell_length_b 5.56520
_cell_length_c 5.56336
_cell_angle_alpha 60.54307
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 295.13433
_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 0.77240 0.18149 0.02695 1.00000
Li2 Li 0.12110 0.14387 0.97947 1.00000
Li3 Li 0.62110 0.85613 0.02053 1.00000
Li4 Li 0.27240 0.81851 0.97306 1.00000
Li5 Li 0.41560 0.17043 0.66682 1.00000
Li6 Li 0.93143 0.16621 0.67020 1.00000
Li7 Li 0.77245 0.78638 0.69046 1.00000
Li8 Li 0.12258 0.88440 0.63168 1.00000
Li9 Li 0.62258 0.11560 0.36832 1.00000
Li10 Li 0.27231 0.48204 0.70542 1.00000
Li11 Li 0.27245 0.21362 0.30954 1.00000
Li12 Li 0.62059 0.51412 0.62573 1.00000
Li13 Li 0.91560 0.82957 0.33318 1.00000
Li14 Li 0.43143 0.83379 0.32980 1.00000
Li15 Li 0.12059 0.48588 0.37427 1.00000
Li16 Li 0.77231 0.51796 0.29458 1.00000
Co1 Co 0.98752 0.50495 0.99466 1.00000
Co2 Co 0.48752 0.49505 0.00534 1.00000
O1 O 0.94734 0.17471 0.00591 1.00000
O2 O 0.44734 0.82529 0.99409 1.00000
O3 O 0.21190 0.17130 0.66205 1.00000
O4 O 0.67097 0.49419 0.00459 1.00000
O5 O 0.17097 0.50581 0.99541 1.00000
O6 O 0.94883 0.82033 0.68046 1.00000
O7 O 0.44673 0.50976 0.67380 1.00000
O8 O 0.44883 0.17967 0.31954 1.00000
O9 O 0.71190 0.82870 0.33795 1.00000
O10 O 0.94673 0.49024 0.32620 1.00000
F1 F 0.70547 0.16041 0.67143 1.00000
F2 F 0.20547 0.83959 0.32857 1.00000
