Ba2Y
Alexandria ALEXAlex-ID: agm005223206 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_43_spg47
Y Ba
2024-10-08 15:36:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223206).
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 agm005223206
data_agm005223206
_cell_length_a 4.35598
_cell_length_b 4.35598
_cell_length_c 16.80655
_cell_angle_alpha 82.55399
_cell_angle_beta 82.55399
_cell_angle_gamma 90.00000
_cell_volume 313.49607
_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 0.13576 0.13576 0.72848 1.00000
Ba2 Ba 0.86075 0.86075 0.27849 1.00000
Ba3 Ba 0.99662 0.99662 0.00675 1.00000
Ba4 Ba 0.26409 0.26409 0.47183 1.00000
Y1 Y 0.43205 0.43205 0.13591 1.00000
Y2 Y 0.56073 0.56073 0.87854 1.00000
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