La2Zr5Mn2
Alexandria ALEXAlex-ID: agm009094047 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_507_spg2
La ZrMn2 Zr
2024-03-07 04:56:35.991426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009094047).
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 agm009094047
data_agm009094047
_cell_length_a 3.36961
_cell_length_b 9.47189
_cell_length_c 8.13341
_cell_angle_alpha 120.12692
_cell_angle_beta 78.12476
_cell_angle_gamma 110.89528
_cell_volume 209.64307
_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 0.17987 0.62565 0.89076 1.00000
La2 La 0.82013 0.37435 0.10924 1.00000
Zr1 Zr 0.31115 0.14543 0.66999 1.00000
Zr2 Zr 0.68885 0.85457 0.33001 1.00000
Zr3 Zr 0.09289 0.31470 0.44542 1.00000
Zr4 Zr 0.90711 0.68530 0.55458 1.00000
Zr5 Zr 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.58018 0.93235 0.70366 1.00000
Mn2 Mn 0.41982 0.06765 0.29634 1.00000
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