Ac2PaO9
Alexandria ALEXAlex-ID: agm101201617 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_576_spg1
AcPaO4 AcO3 PaO6
2025-05-20 11:16:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101201617).
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 agm101201617
data_agm101201617
_cell_length_a 4.33828
_cell_length_b 6.87310
_cell_length_c 6.71583
_cell_angle_alpha 121.75657
_cell_angle_beta 95.73279
_cell_angle_gamma 87.74940
_cell_volume 169.39726
_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 0.92324 0.32294 0.65226 1.00000
Ac2 Ac 0.33864 0.66284 0.37043 1.00000
Pa1 Pa 0.97531 0.00794 0.00599 1.00000
O1 O 0.44834 0.09788 0.65550 1.00000
O2 O 0.00866 0.31997 0.02434 1.00000
O3 O 0.94259 0.70996 0.65068 1.00000
O4 O 0.45407 0.57418 0.92947 1.00000
O5 O 0.47115 0.79363 0.97529 1.00000
O6 O 0.45830 0.01348 0.81380 1.00000
O7 O 0.63876 0.30597 0.28005 1.00000
O8 O 0.97155 0.91631 0.26168 1.00000
O9 O 0.36939 0.27490 0.38051 1.00000
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