DyBeCl5
Alexandria ALEXAlex-ID: agm005744037 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_258_spg15
BeCl2 DyCl3
2023-07-19 17:31:18.237597
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005744037).
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 agm005744037
data_agm005744037
_cell_length_a 6.82026
_cell_length_b 6.82026
_cell_length_c 9.95496
_cell_angle_alpha 68.11539
_cell_angle_beta 68.11539
_cell_angle_gamma 87.16296
_cell_volume 396.57284
_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 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.00000 0.00000 0.50000 1.00000
Be1 Be 0.38466 0.61534 0.25000 1.00000
Be2 Be 0.61534 0.38466 0.75000 1.00000
Cl1 Cl 0.28708 0.74679 0.06905 1.00000
Cl2 Cl 0.33346 0.29069 0.33335 1.00000
Cl3 Cl 0.90480 0.09520 0.25000 1.00000
Cl4 Cl 0.25321 0.71292 0.43095 1.00000
Cl5 Cl 0.74679 0.28708 0.56905 1.00000
Cl6 Cl 0.70931 0.66654 0.16665 1.00000
Cl7 Cl 0.29069 0.33346 0.83335 1.00000
Cl8 Cl 0.09520 0.90480 0.75000 1.00000
Cl9 Cl 0.66654 0.70931 0.66665 1.00000
Cl10 Cl 0.71292 0.25321 0.93095 1.00000
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