MgVB14
Alexandria ALEXAlex-ID: agm005754575 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MgB7 VB2 B
2023-07-18 14:01:47.715777
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754575).
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 agm005754575
data_agm005754575
_cell_length_a 5.88875
_cell_length_b 7.20735
_cell_length_c 7.20735
_cell_angle_alpha 68.25428
_cell_angle_beta 65.88788
_cell_angle_gamma 65.88787
_cell_volume 247.11791
_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 0.39967 0.10033 1.00000
Mg2 Mg 0.75000 0.60033 0.89967 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
B1 B 0.66809 0.35912 0.30469 1.00000
B2 B 0.33191 0.64088 0.69531 1.00000
B3 B 0.16809 0.80469 0.85912 1.00000
B4 B 0.83191 0.19531 0.14088 1.00000
B5 B 0.14202 0.24334 0.47262 1.00000
B6 B 0.85798 0.75666 0.52738 1.00000
B7 B 0.64202 0.97262 0.74334 1.00000
B8 B 0.35798 0.02738 0.25666 1.00000
B9 B 0.08512 0.08993 0.73983 1.00000
B10 B 0.91488 0.91007 0.26017 1.00000
B11 B 0.58512 0.23983 0.58993 1.00000
B12 B 0.41488 0.76017 0.41007 1.00000
B13 B 0.72244 0.59953 0.26954 1.00000
B14 B 0.59152 0.40047 0.73046 1.00000
B15 B 0.22244 0.76954 0.09953 1.00000
B16 B 0.09152 0.23046 0.90047 1.00000
B17 B 0.27756 0.40047 0.73046 1.00000
B18 B 0.40848 0.59953 0.26954 1.00000
B19 B 0.77756 0.23046 0.90047 1.00000
B20 B 0.90848 0.76954 0.09953 1.00000
B21 B 0.32688 0.96527 0.87367 1.00000
B22 B 0.16582 0.03473 0.12633 1.00000
B23 B 0.82688 0.37367 0.46527 1.00000
B24 B 0.66582 0.62633 0.53473 1.00000
B25 B 0.67312 0.03473 0.12633 1.00000
B26 B 0.83418 0.96527 0.87367 1.00000
B27 B 0.17312 0.62633 0.53473 1.00000
B28 B 0.33418 0.37367 0.46527 1.00000
