La2ZrMn8
Alexandria ALEXAlex-ID: agm012869959 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_134_spg2
ZrMn12 La ZrMn2
2024-06-24 11:45:25.464040
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012869959).
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 agm012869959
data_agm012869959
_cell_length_a 8.55693
_cell_length_b 8.55693
_cell_length_c 8.55693
_cell_angle_alpha 149.61879
_cell_angle_beta 140.78050
_cell_angle_gamma 50.40112
_cell_volume 199.41965
_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 0.80405 0.80405 0.00000 1.00000
La2 La 0.19595 0.19595 0.00000 1.00000
Zr1 Zr 0.50000 0.00000 0.50000 1.00000
Mn1 Mn 0.62795 0.40600 0.22195 1.00000
Mn2 Mn 0.81595 0.59400 0.22195 1.00000
Mn3 Mn 0.00000 0.77283 0.77283 1.00000
Mn4 Mn 0.33567 0.83567 0.50000 1.00000
Mn5 Mn 0.66433 0.16433 0.50000 1.00000
Mn6 Mn 0.00000 0.22717 0.22717 1.00000
Mn7 Mn 0.18405 0.40600 0.77805 1.00000
Mn8 Mn 0.37205 0.59400 0.77805 1.00000
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