MgV12(BO5)4
Alexandria ALEXAlex-ID: agm005229172 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12D20_2_spg6
V2O3 VBO3 Mg2B2O5 VB
2024-10-20 14:34:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005229172).
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 agm005229172
data_agm005229172
_cell_length_a 3.15821
_cell_length_b 9.70780
_cell_length_c 13.01088
_cell_angle_alpha 88.57980
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 398.78114
_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 0.50000 0.22392 0.02661 1.00000
V1 V 0.50000 0.00425 0.22848 1.00000
V2 V 0.50000 0.98074 0.76832 1.00000
V3 V 0.50000 0.49046 0.72410 1.00000
V4 V 0.50000 0.51846 0.28828 1.00000
V5 V 0.50000 0.99800 0.49757 1.00000
V6 V 0.50000 0.51826 0.00154 1.00000
V7 V 0.00000 0.24997 0.39397 1.00000
V8 V 1.00000 0.74743 0.60948 1.00000
V9 V 0.00000 0.25251 0.85127 1.00000
V10 V 1.00000 0.74623 0.12236 1.00000
V11 V 0.00000 0.97081 0.98743 1.00000
V12 V 0.00000 0.49774 0.50475 1.00000
B1 B 0.00000 0.29743 0.16102 1.00000
B2 B 1.00000 0.71678 0.85538 1.00000
B3 B 0.00000 0.21500 0.63430 1.00000
B4 B 0.00000 0.77935 0.36375 1.00000
O1 O 1.00000 0.36345 0.06203 1.00000
O2 O 1.00000 0.65542 0.95371 1.00000
O3 O 0.00000 0.15133 0.54086 1.00000
O4 O 0.00000 0.84729 0.45589 1.00000
O5 O 0.00000 0.15277 0.14703 1.00000
O6 O 0.00000 0.86067 0.84835 1.00000
O7 O 0.00000 0.35821 0.64496 1.00000
O8 O 0.00000 0.63549 0.36343 1.00000
O9 O 0.50000 0.12099 0.36015 1.00000
O10 O 0.50000 0.87517 0.63377 1.00000
O11 O 0.50000 0.38291 0.87254 1.00000
O12 O 0.50000 0.61756 0.14296 1.00000
O13 O 0.00000 0.36396 0.24962 1.00000
O14 O 1.00000 0.64108 0.76601 1.00000
O15 O 0.00000 0.13076 0.72374 1.00000
O16 O 0.00000 0.85345 0.26926 1.00000
O17 O 0.50000 0.39568 0.42769 1.00000
O18 O 0.50000 0.60059 0.58130 1.00000
O19 O 0.50000 0.09676 0.91331 1.00000
O20 O 0.50000 0.89746 0.08208 1.00000
