BaLa3Mn4O10
Alexandria ALEXAlex-ID: agm003243447 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D10_0_spg9
BaLaMn2O5 La2O3 MnO
2021-12-28 21:55:43.822272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243447).
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 agm003243447
data_agm003243447
_cell_length_a 9.08382
_cell_length_b 9.08382
_cell_length_c 11.56721
_cell_angle_alpha 70.90899
_cell_angle_beta 70.90899
_cell_angle_gamma 35.61045
_cell_volume 521.94261
_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
Ba1 Ba 0.61742 0.61467 0.18753 1.00000
Ba2 Ba 0.61467 0.61742 0.68753 1.00000
La1 La 0.36928 0.41031 0.31435 1.00000
La2 La 0.41031 0.36928 0.81435 1.00000
La3 La 0.88485 0.90018 0.04394 1.00000
La4 La 0.09476 0.12511 0.45674 1.00000
La5 La 0.12511 0.09476 0.95674 1.00000
La6 La 0.90018 0.88485 0.54394 1.00000
Mn1 Mn 0.49995 0.49578 0.00059 1.00000
Mn2 Mn 0.49578 0.49995 0.50059 1.00000
Mn3 Mn 0.00001 0.99946 0.25062 1.00000
Mn4 Mn 0.99946 0.00001 0.75062 1.00000
Mn5 Mn 0.71701 0.77987 0.34872 1.00000
Mn6 Mn 0.22306 0.28474 0.15227 1.00000
Mn7 Mn 0.28474 0.22306 0.65227 1.00000
Mn8 Mn 0.77987 0.71701 0.84872 1.00000
O1 O 0.14489 0.13902 0.13675 1.00000
O2 O 0.91117 0.80780 0.36012 1.00000
O3 O 0.80780 0.91117 0.86012 1.00000
O4 O 0.13902 0.14489 0.63675 1.00000
O5 O 0.40356 0.33567 0.03454 1.00000
O6 O 0.67479 0.58018 0.44779 1.00000
O7 O 0.58018 0.67479 0.94779 1.00000
O8 O 0.33567 0.40356 0.53454 1.00000
O9 O 0.87188 0.65722 0.17506 1.00000
O10 O 0.33941 0.16143 0.32562 1.00000
O11 O 0.16143 0.33941 0.82562 1.00000
O12 O 0.65722 0.87188 0.67506 1.00000
O13 O 0.23679 0.73567 0.62876 1.00000
O14 O 0.25552 0.73624 0.87799 1.00000
O15 O 0.73624 0.25552 0.37799 1.00000
O16 O 0.73567 0.23679 0.12876 1.00000
O17 O 0.23437 0.72783 0.12985 1.00000
O18 O 0.25102 0.77907 0.37877 1.00000
O19 O 0.77907 0.25102 0.87877 1.00000
O20 O 0.72783 0.23437 0.62985 1.00000
