Dy(BeP)3
Alexandria ALEXAlex-ID: agm013501082 · Space group: Pm-3n (#223)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_2564_spg161
Be3P2 DyP
2024-06-24 11:27:46.211410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013501082).
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 agm013501082
data_agm013501082
_cell_length_a 6.02244
_cell_length_b 6.02244
_cell_length_c 6.02244
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 218.43246
_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
Dy1 Dy 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.25000 0.00000 0.50000 1.00000
Be2 Be 0.00000 0.50000 0.25000 1.00000
Be3 Be 0.50000 0.75000 0.00000 1.00000
Be4 Be 0.75000 0.00000 0.50000 1.00000
Be5 Be 0.00000 0.50000 0.75000 1.00000
Be6 Be 0.50000 0.25000 0.00000 1.00000
P1 P 0.00000 0.25000 0.50000 1.00000
P2 P 0.00000 0.75000 0.50000 1.00000
P3 P 0.50000 0.00000 0.75000 1.00000
P4 P 0.75000 0.50000 0.00000 1.00000
P5 P 0.50000 0.00000 0.25000 1.00000
P6 P 0.25000 0.50000 0.00000 1.00000
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