LaCr2BiO6
Alexandria ALEXAlex-ID: agm062000476 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2129_spg26
LaCrO3 Cr2O3 Bi2O3
2024-12-09 01:29:35.652863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062000476).
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 agm062000476
data_agm062000476
_cell_length_a 5.52091
_cell_length_b 5.64647
_cell_length_c 7.86503
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 245.18167
_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
La1 La 0.24099 0.45651 0.50000 1.00000
La2 La 0.75901 0.95651 0.50000 1.00000
Cr1 Cr 0.24711 0.99998 0.75183 1.00000
Cr2 Cr 0.75289 0.49998 0.24817 1.00000
Cr3 Cr 0.24711 0.99998 0.24817 1.00000
Cr4 Cr 0.75289 0.49998 0.75183 1.00000
Bi1 Bi 0.26186 0.55091 0.00000 1.00000
Bi2 Bi 0.73814 0.05091 0.00000 1.00000
O1 O 0.54541 0.79339 0.79624 1.00000
O2 O 0.45459 0.29339 0.20376 1.00000
O3 O 0.95632 0.20747 0.29485 1.00000
O4 O 0.04368 0.70747 0.70515 1.00000
O5 O 0.95632 0.20747 0.70515 1.00000
O6 O 0.04368 0.70747 0.29485 1.00000
O7 O 0.54541 0.79339 0.20376 1.00000
O8 O 0.45459 0.29339 0.79624 1.00000
O9 O 0.15588 0.96983 0.00000 1.00000
O10 O 0.84412 0.46983 0.00000 1.00000
O11 O 0.33091 0.01997 0.50000 1.00000
O12 O 0.66909 0.51997 0.50000 1.00000
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