Mg(BC3)4
Alexandria ALEXAlex-ID: agm071336735 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_286_spg141
Mg(BC)2 Mg(B6C)2 C
2024-08-05 11:14:15.063503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336735).
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 agm071336735
data_agm071336735
_cell_length_a 10.09316
_cell_length_b 10.09316
_cell_length_c 10.09316
_cell_angle_alpha 150.25859
_cell_angle_beta 150.25859
_cell_angle_gamma 42.56195
_cell_volume 252.41452
_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 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.75000 0.25000 0.50000 1.00000
B1 B 0.87500 0.42508 0.05008 1.00000
B2 B 0.87500 0.82492 0.44992 1.00000
B3 B 0.37500 0.82492 0.94992 1.00000
B4 B 0.37500 0.42508 0.55008 1.00000
B5 B 0.57492 0.12500 0.94992 1.00000
B6 B 0.17508 0.12500 0.55008 1.00000
B7 B 0.17508 0.62500 0.05008 1.00000
B8 B 0.57492 0.62500 0.44992 1.00000
C1 C 0.50398 0.29101 0.78704 1.00000
C2 C 0.24602 0.95899 0.71296 1.00000
C3 C 0.50398 0.71694 0.21296 1.00000
C4 C 0.24602 0.53306 0.28704 1.00000
C5 C 0.46694 0.75398 0.71296 1.00000
C6 C 0.28306 0.49602 0.78704 1.00000
C7 C 0.04101 0.75398 0.28704 1.00000
C8 C 0.70899 0.49602 0.21296 1.00000
C9 C 0.43846 0.07442 0.63596 1.00000
C10 C 0.31154 0.17558 0.86404 1.00000
C11 C 0.43846 0.80251 0.36404 1.00000
C12 C 0.31154 0.44749 0.13596 1.00000
C13 C 0.55251 0.68846 0.86404 1.00000
C14 C 0.19749 0.56154 0.63596 1.00000
C15 C 0.82442 0.68846 0.13596 1.00000
C16 C 0.92558 0.56154 0.36404 1.00000
C17 C 0.58022 0.23587 0.65565 1.00000
C18 C 0.16978 0.01413 0.84435 1.00000
C19 C 0.58022 0.92457 0.34435 1.00000
C20 C 0.16978 0.32543 0.15565 1.00000
C21 C 0.67457 0.83022 0.84435 1.00000
C22 C 0.07543 0.41978 0.65565 1.00000
C23 C 0.98587 0.83022 0.15565 1.00000
C24 C 0.76413 0.41978 0.34435 1.00000
