BaAlZn
Alexandria ALEXAlex-ID: agm003601082 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_25_spg12
Ba(AlZn)2 BaZn2 Ba7Al10
2022-03-06 03:31:02.178263
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003601082).
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 agm003601082
data_agm003601082
_cell_length_a 4.41652
_cell_length_b 6.33478
_cell_length_c 8.44491
_cell_angle_alpha 50.27340
_cell_angle_beta 74.78319
_cell_angle_gamma 89.91989
_cell_volume 170.88248
_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 0.09841 0.43769 0.07592 1.00000
Ba2 Ba 0.32080 0.19046 0.63262 1.00000
Al1 Al 0.61751 0.01286 0.03908 1.00000
Al2 Al 0.80182 0.61522 0.66951 1.00000
Zn1 Zn 0.00139 0.78364 0.27109 1.00000
Zn2 Zn 0.41802 0.84449 0.43749 1.00000
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