Li3BeCr3O8
Alexandria ALEXAlex-ID: agm004683090 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_27_spg12
LiCrO2 BeCr2O4 Li2CrO4 BeO
2022-07-02 19:24:51.067065
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004683090).
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 agm004683090
data_agm004683090
_cell_length_a 5.74961
_cell_length_b 5.73317
_cell_length_c 5.85493
_cell_angle_alpha 119.11506
_cell_angle_beta 90.00000
_cell_angle_gamma 120.09486
_cell_volume 138.07435
_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 0.00000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.50000 0.00000 1.00000
Li3 Li 0.50000 0.50000 0.00000 1.00000
Be1 Be 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.50000 0.50000 0.50000 1.00000
Cr3 Cr 0.00000 0.50000 0.50000 1.00000
O1 O 0.25549 0.51098 0.26810 1.00000
O2 O 0.74451 0.48902 0.73190 1.00000
O3 O 0.75407 0.50815 0.28213 1.00000
O4 O 0.24593 0.49185 0.71787 1.00000
O5 O 0.78481 0.03199 0.29909 1.00000
O6 O 0.21519 0.96801 0.70091 1.00000
O7 O 0.24718 0.03199 0.29909 1.00000
O8 O 0.75282 0.96801 0.70091 1.00000
Get direct link