AcGa2SeO8
Alexandria ALEXAlex-ID: agm004900548 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_353_spg2
AcSeO7 AcGaSeO6 Ga2O3
2023-01-03 01:35:25.287893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900548).
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 agm004900548
data_agm004900548
_cell_length_a 4.46927
_cell_length_b 4.64022
_cell_length_c 7.35891
_cell_angle_alpha 83.01025
_cell_angle_beta 90.34838
_cell_angle_gamma 89.50775
_cell_volume 151.46809
_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
Ac1 Ac 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.52340 0.52612 0.81246 1.00000
Ga2 Ga 0.47660 0.47388 0.18754 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
O1 O 0.18140 0.77982 0.20170 1.00000
O2 O 0.70342 0.71572 0.00537 1.00000
O3 O 0.81684 0.16776 0.17710 1.00000
O4 O 0.81860 0.22018 0.79830 1.00000
O5 O 0.29658 0.28428 0.99463 1.00000
O6 O 0.18316 0.83224 0.82290 1.00000
O7 O 0.52437 0.69417 0.57045 1.00000
O8 O 0.47563 0.30583 0.42955 1.00000
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