Mg6Be8B
Alexandria ALEXAlex-ID: agm071969402 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_620_spg2
MgBe13 Mg MgB2
2024-10-05 10:59:37.236357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071969402).
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 agm071969402
data_agm071969402
_cell_length_a 5.28198
_cell_length_b 6.33291
_cell_length_c 7.75155
_cell_angle_alpha 107.95631
_cell_angle_beta 112.32480
_cell_angle_gamma 104.89838
_cell_volume 206.51492
_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 0.74460 0.57496 0.41250 1.00000
Mg2 Mg 0.81751 0.15224 0.12848 1.00000
Mg3 Mg 0.20728 0.37156 0.98419 1.00000
Mg4 Mg 0.25540 0.42504 0.58750 1.00000
Mg5 Mg 0.18249 0.84776 0.87152 1.00000
Mg6 Mg 0.79272 0.62844 0.01581 1.00000
Be1 Be 0.92048 0.04939 0.60660 1.00000
Be2 Be 0.07952 0.95061 0.39340 1.00000
Be3 Be 0.58291 0.85907 0.26798 1.00000
Be4 Be 0.75174 0.34543 0.65115 1.00000
Be5 Be 0.62323 0.88594 0.71193 1.00000
Be6 Be 0.41709 0.14093 0.73202 1.00000
Be7 Be 0.24826 0.65457 0.34885 1.00000
Be8 Be 0.37677 0.11406 0.28807 1.00000
B1 B 0.50000 0.00000 0.50000 1.00000
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