Ba3Ac5P
Alexandria ALEXAlex-ID: agm072401792 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1063_spg123
Ba AcP Ac
2024-09-24 17:25:43.752717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072401792).
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 agm072401792
data_agm072401792
_cell_length_a 8.48836
_cell_length_b 8.48836
_cell_length_c 6.05579
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 436.33396
_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 0.50000 0.50000 0.50000 1.00000
Ba2 Ba 0.50000 0.00000 0.50000 1.00000
Ba3 Ba 0.00000 0.50000 0.50000 1.00000
Ac1 Ac 0.00000 0.00000 0.50000 1.00000
Ac2 Ac 0.75405 0.24595 0.00000 1.00000
Ac3 Ac 0.24595 0.75405 0.00000 1.00000
Ac4 Ac 0.75405 0.75405 0.00000 1.00000
Ac5 Ac 0.24595 0.24595 0.00000 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
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