Ba6Y2Al4O15
Alexandria ALEXAlex-ID: agm009648495 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C6D15_8_spg5
Ba6Y2Al4O15
2025-01-27 05:44:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009648495).
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 agm009648495
data_agm009648495
_cell_length_a 9.73724
_cell_length_b 9.73724
_cell_length_c 7.94353
_cell_angle_alpha 88.44642
_cell_angle_beta 91.55358
_cell_angle_gamma 144.26974
_cell_volume 439.64226
_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 0.66590 0.33167 0.49997 1.00000
Ba2 Ba 0.33167 0.66590 0.50003 1.00000
Ba3 Ba 0.67290 0.35262 0.96911 1.00000
Ba4 Ba 0.35262 0.67290 0.03089 1.00000
Ba5 Ba 0.98695 0.98695 0.00000 1.00000
Ba6 Ba 0.93132 0.93132 0.50000 1.00000
Y1 Y 0.84275 0.16417 0.75229 1.00000
Y2 Y 0.16417 0.84275 0.24771 1.00000
Al1 Al 0.81276 0.20080 0.24797 1.00000
Al2 Al 0.20080 0.81276 0.75203 1.00000
Al3 Al 0.50677 0.47101 0.22050 1.00000
Al4 Al 0.47101 0.50677 0.77950 1.00000
O1 O 0.86737 0.15519 0.05693 1.00000
O2 O 0.15519 0.86737 0.94307 1.00000
O3 O 0.00513 0.50336 0.23920 1.00000
O4 O 0.50336 0.00513 0.76080 1.00000
O5 O 0.51527 0.02290 0.23344 1.00000
O6 O 0.02290 0.51527 0.76656 1.00000
O7 O 0.79410 0.62940 0.24408 1.00000
O8 O 0.62940 0.79410 0.75592 1.00000
O9 O 0.29615 0.17081 0.27143 1.00000
O10 O 0.17081 0.29615 0.72857 1.00000
O11 O 0.51013 0.63593 0.30857 1.00000
O12 O 0.63593 0.51013 0.69143 1.00000
O13 O 0.84557 0.16125 0.46035 1.00000
O14 O 0.16125 0.84557 0.53965 1.00000
O15 O 0.46378 0.46378 0.00000 1.00000
