Ba4ZnCd
Alexandria ALEXAlex-ID: agm003744584 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_169_spg123
Ba2Cd Ba2Zn
2022-04-19 10:57:54.560030
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003744584).
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 agm003744584
data_agm003744584
_cell_length_a 5.89814
_cell_length_b 5.89730
_cell_length_c 8.38931
_cell_angle_alpha 89.97695
_cell_angle_beta 89.98849
_cell_angle_gamma 89.99970
_cell_volume 291.80651
_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 0.50114 0.99688 0.25555 1.00000
Ba2 Ba 0.50150 0.99762 0.74059 1.00000
Ba3 Ba 0.00152 0.49760 0.74065 1.00000
Ba4 Ba 0.00113 0.49689 0.25558 1.00000
Zn1 Zn 0.00116 0.99753 0.49833 1.00000
Cd1 Cd 0.50134 0.49721 0.99813 1.00000
