NaLaMn
Alexandria ALEXAlex-ID: agm002109331 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1019_spg164
Na La Mn
2021-11-11 12:24:41.189480
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002109331).
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 agm002109331
data_agm002109331
_cell_length_a 3.83157
_cell_length_b 3.83178
_cell_length_c 13.95862
_cell_angle_alpha 89.94948
_cell_angle_beta 89.97666
_cell_angle_gamma 60.00645
_cell_volume 177.49187
_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
Na1 Na 0.00650 0.91379 0.25587 1.00000
Na2 Na 0.67311 0.58118 0.03808 1.00000
La1 La 0.33591 0.24880 0.79893 1.00000
La2 La 0.33579 0.25013 0.49519 1.00000
Mn1 Mn 0.66903 0.58286 0.66282 1.00000
Mn2 Mn 0.00239 0.91620 0.63133 1.00000
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