Mg(BeN)3
Alexandria ALEXAlex-ID: agm005961568 · Space group: P6_3/m (#176)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_393_spg176
Mg(BeN)2 Be3N2 N2
2023-08-07 18:00:34.400753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961568).
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 agm005961568
data_agm005961568
_cell_length_a 2.74818
_cell_length_b 7.38653
_cell_length_c 7.38724
_cell_angle_alpha 120.00867
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 129.85577
_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 0.25000 0.66662 0.33347 1.00000
Mg2 Mg 0.75000 0.33338 0.66653 1.00000
Be1 Be 0.25000 0.68881 0.99523 1.00000
Be2 Be 0.25000 0.00492 0.69384 1.00000
Be3 Be 0.25000 0.30600 0.31079 1.00000
Be4 Be 0.75000 0.31119 0.00477 1.00000
Be5 Be 0.75000 0.99508 0.30616 1.00000
Be6 Be 0.75000 0.69400 0.68921 1.00000
N1 N 0.25000 0.14044 0.39649 1.00000
N2 N 0.25000 0.60355 0.74405 1.00000
N3 N 0.25000 0.25623 0.85944 1.00000
N4 N 0.75000 0.85956 0.60351 1.00000
N5 N 0.75000 0.39645 0.25595 1.00000
N6 N 0.75000 0.74377 0.14056 1.00000
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