Ba4Zn2Ga
Alexandria ALEXAlex-ID: agm096140652 · Space group: Pmm2 (#25)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6189_spg47
Ba6Zn2Ga BaZn Ba8Ga7
2025-04-11 15:08:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096140652).
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
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# CIF generated by HEAS from Alexandria entry agm096140652
data_agm096140652
_cell_length_a 4.73700
_cell_length_b 5.06910
_cell_length_c 11.65003
_cell_angle_alpha 89.99351
_cell_angle_beta 89.95225
_cell_angle_gamma 90.00025
_cell_volume 279.74433
_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 0.78664 0.50012 0.85398 1.00000
Ba2 Ba 0.78502 0.99967 0.37130 1.00000
Ba3 Ba 0.28653 0.00004 0.66125 1.00000
Ba4 Ba 0.28567 0.50000 0.15016 1.00000
Zn1 Zn 0.78603 0.00008 0.05252 1.00000
Zn2 Zn 0.28359 0.49991 0.45885 1.00000
Ga1 Ga 0.28652 0.00018 0.95195 1.00000
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