Mg3(BeB2)2
Alexandria ALEXAlex-ID: agm021685232 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_399_spg71
MgBe13 Mg MgB2
2024-06-16 21:16:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021685232).
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 agm021685232
data_agm021685232
_cell_length_a 8.53297
_cell_length_b 8.53297
_cell_length_c 3.61260
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 158.18567
_cell_volume 97.74524
_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
Mg1 Mg 0.16714 0.83286 0.50000 1.00000
Mg2 Mg 0.83286 0.16714 0.50000 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Be1 Be 0.38703 0.61297 0.00000 1.00000
Be2 Be 0.61297 0.38703 0.00000 1.00000
B1 B 0.73166 0.26834 0.00000 1.00000
B2 B 0.26834 0.73166 0.00000 1.00000
B3 B 0.95116 0.04884 0.00000 1.00000
B4 B 0.04884 0.95116 0.00000 1.00000
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