LaDyBe17
Alexandria ALEXAlex-ID: agm024608111 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC17_2_spg160
DyBe13 La LaBe13
2024-08-13 18:23:31.182937
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024608111).
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 agm024608111
data_agm024608111
_cell_length_a 5.91999
_cell_length_b 5.91999
_cell_length_c 5.91999
_cell_angle_alpha 82.99043
_cell_angle_beta 82.99043
_cell_angle_gamma 82.99043
_cell_volume 203.17147
_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
La1 La 0.65796 0.65796 0.65796 1.00000
Dy1 Dy 0.33942 0.33942 0.33942 1.00000
Be1 Be 0.27317 0.00138 0.72616 1.00000
Be2 Be 0.72616 0.27317 0.00138 1.00000
Be3 Be 0.00138 0.72616 0.27317 1.00000
Be4 Be 0.27317 0.72616 0.00138 1.00000
Be5 Be 0.00138 0.27317 0.72616 1.00000
Be6 Be 0.72616 0.00138 0.27317 1.00000
Be7 Be 0.33020 0.84578 0.33020 1.00000
Be8 Be 0.33020 0.33020 0.84578 1.00000
Be9 Be 0.84578 0.33020 0.33020 1.00000
Be10 Be 0.66652 0.15487 0.66652 1.00000
Be11 Be 0.66652 0.66652 0.15487 1.00000
Be12 Be 0.15487 0.66652 0.66652 1.00000
Be13 Be 0.00306 0.49902 0.00306 1.00000
Be14 Be 0.00306 0.00306 0.49902 1.00000
Be15 Be 0.49902 0.00306 0.00306 1.00000
Be16 Be 0.90653 0.90653 0.90653 1.00000
Be17 Be 0.09541 0.09541 0.09541 1.00000
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