Ce3Zr2Mn3
Alexandria ALEXAlex-ID: agm009039983 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_15_spg12
Ce ZrMn2 Zr
2024-07-10 19:04:09.968539
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009039983).
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 agm009039983
data_agm009039983
_cell_length_a 9.85984
_cell_length_b 9.85984
_cell_length_c 9.85984
_cell_angle_alpha 160.86191
_cell_angle_beta 149.17275
_cell_angle_gamma 36.53942
_cell_volume 160.86563
_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
Ce1 Ce 0.38356 0.38356 0.00000 1.00000
Ce2 Ce 0.61644 0.61644 0.00000 1.00000
Ce3 Ce 0.00000 0.50000 0.50000 1.00000
Zr1 Zr 0.77362 0.27362 0.50000 1.00000
Zr2 Zr 0.22638 0.72638 0.50000 1.00000
Mn1 Mn 0.88789 0.88789 0.00000 1.00000
Mn2 Mn 0.50000 0.00000 0.50000 1.00000
Mn3 Mn 0.11211 0.11211 0.00000 1.00000
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