MgV12(BO5)4
Alexandria ALEXAlex-ID: agm005243650 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12D20_1_spg6
V2O3 VBO3 Mg2B2O5 VB
2024-10-20 14:32:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243650).
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 agm005243650
data_agm005243650
_cell_length_a 3.13300
_cell_length_b 9.69110
_cell_length_c 13.19478
_cell_angle_alpha 92.77813
_cell_angle_beta 90.00023
_cell_angle_gamma 90.00010
_cell_volume 400.15178
_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 0.50002 0.42721 0.08324 1.00000
V1 V 0.50000 0.98237 0.23517 1.00000
V2 V 0.50000 0.01325 0.77682 1.00000
V3 V 0.50000 0.49734 0.70629 1.00000
V4 V 0.49999 0.49699 0.29456 1.00000
V5 V 0.50000 0.99690 0.50402 1.00000
V6 V 0.49999 0.54797 0.91626 1.00000
V7 V 1.00000 0.23610 0.39956 1.00000
V8 V 0.00000 0.76145 0.61026 1.00000
V9 V 0.00000 0.26068 0.88932 1.00000
V10 V 1.00000 0.73770 0.11834 1.00000
V11 V 0.00000 0.99692 0.00578 1.00000
V12 V 1.00000 0.49887 0.50179 1.00000
B1 B 0.00000 0.24059 0.16634 1.00000
B2 B 1.00000 0.75189 0.84674 1.00000
B3 B 0.00000 0.22705 0.64055 1.00000
B4 B 1.00000 0.76732 0.36625 1.00000
O1 O 0.00001 0.30501 0.07327 1.00000
O2 O 0.99999 0.68709 0.94127 1.00000
O3 O 0.00000 0.14961 0.54867 1.00000
O4 O 1.00000 0.84347 0.45864 1.00000
O5 O 0.00000 0.10040 0.16533 1.00000
O6 O 0.00000 0.89254 0.84885 1.00000
O7 O 0.00000 0.37199 0.63688 1.00000
O8 O 1.00000 0.62257 0.36628 1.00000
O9 O 0.50000 0.10639 0.37087 1.00000
O10 O 0.50000 0.89102 0.63894 1.00000
O11 O 0.50000 0.37929 0.83748 1.00000
O12 O 0.50000 0.60421 0.15578 1.00000
O13 O 0.99999 0.33019 0.25266 1.00000
O14 O 0.00000 0.66542 0.75832 1.00000
O15 O 1.00000 0.16308 0.73279 1.00000
O16 O 0.00000 0.83302 0.27448 1.00000
O17 O 0.50000 0.38469 0.42883 1.00000
O18 O 0.50000 0.61425 0.57629 1.00000
O19 O 0.50000 0.11892 0.92724 1.00000
O20 O 0.50000 0.87819 0.08646 1.00000
