Y(BePd)6
Alexandria ALEXAlex-ID: agm006089685 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_7_spg71
Be5Pd YBe2Pd3 BePd
2023-08-07 14:38:10.111256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089685).
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 agm006089685
data_agm006089685
_cell_length_a 4.88996
_cell_length_b 6.31543
_cell_length_c 6.31543
_cell_angle_alpha 80.76567
_cell_angle_beta 67.22309
_cell_angle_gamma 67.22310
_cell_volume 165.78937
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.00000 0.50000 0.00000 1.00000
Be2 Be 0.50000 0.50000 0.00000 1.00000
Be3 Be 0.00000 0.00000 0.50000 1.00000
Be4 Be 0.50000 0.00000 0.50000 1.00000
Be5 Be 0.50000 0.75529 0.24471 1.00000
Be6 Be 0.50000 0.24471 0.75529 1.00000
Pd1 Pd 0.34032 0.65968 0.65968 1.00000
Pd2 Pd 0.65968 0.34032 0.34032 1.00000
Pd3 Pd 1.00000 0.33708 0.66292 1.00000
Pd4 Pd 0.00000 0.66292 0.33708 1.00000
Pd5 Pd 0.31940 0.18060 0.18060 1.00000
Pd6 Pd 0.68060 0.81940 0.81940 1.00000
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