Ba2MgZn4In3
Alexandria ALEXAlex-ID: agm004535239 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_7_spg115
BaZn5 BaMg4Zn9 Ba4Zn51 BaIn2
2022-06-21 09:24:43.494805
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004535239).
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 agm004535239
data_agm004535239
_cell_length_a 4.71769
_cell_length_b 4.71769
_cell_length_c 11.80892
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 262.82648
_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 0.50000 0.00000 0.24285 1.00000
Ba2 Ba 0.00000 0.50000 0.75715 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Zn3 Zn 0.50000 0.00000 0.63487 1.00000
Zn4 Zn 0.00000 0.50000 0.36513 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
In2 In 0.50000 0.00000 0.87266 1.00000
In3 In 0.00000 0.50000 0.12734 1.00000
Get direct link