Ac3(BePd4)2
Alexandria ALEXAlex-ID: agm005636364 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_190_spg166
Ac3Pd5 Ac2BePd6 BePd
2023-06-15 13:19:29.604185
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005636364).
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 agm005636364
data_agm005636364
_cell_length_a 6.38298
_cell_length_b 6.38298
_cell_length_c 8.69072
_cell_angle_alpha 68.45435
_cell_angle_beta 68.45435
_cell_angle_gamma 60.00071
_cell_volume 277.70952
_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 0.00000 1.00000
Ac2 Ac 0.24032 0.24032 0.27905 1.00000
Ac3 Ac 0.75968 0.75968 0.72095 1.00000
Be1 Be 0.45556 0.45556 0.63332 1.00000
Be2 Be 0.54444 0.54444 0.36668 1.00000
Pd1 Pd 0.36365 0.36365 0.90905 1.00000
Pd2 Pd 0.63635 0.63635 0.09095 1.00000
Pd3 Pd 0.26410 0.83832 0.63347 1.00000
Pd4 Pd 0.83832 0.26410 0.63347 1.00000
Pd5 Pd 0.26411 0.26411 0.63347 1.00000
Pd6 Pd 0.16168 0.73590 0.36653 1.00000
Pd7 Pd 0.73590 0.16168 0.36653 1.00000
Pd8 Pd 0.73589 0.73589 0.36653 1.00000
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