Ba4Mg15
Alexandria ALEXAlex-ID: agm073026565 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_2_spg220
Ba2Mg17 BaMg2
2024-10-20 09:52:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073026565).
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 agm073026565
data_agm073026565
_cell_length_a 11.44612
_cell_length_b 11.44612
_cell_length_c 11.44612
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 1154.39154
_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
Ba1 Ba 0.57811 0.57811 0.57811 1.00000
Ba2 Ba 0.92189 0.50000 0.00000 1.00000
Ba3 Ba 0.07811 0.07811 0.07811 1.00000
Ba4 Ba 0.00000 0.42189 0.50000 1.00000
Ba5 Ba 0.00000 0.92189 0.50000 1.00000
Ba6 Ba 0.42189 0.50000 0.00000 1.00000
Ba7 Ba 0.50000 0.00000 0.42189 1.00000
Ba8 Ba 0.50000 0.00000 0.92189 1.00000
Mg1 Mg 0.83900 0.92894 0.71206 1.00000
Mg2 Mg 0.25000 0.12500 0.87500 1.00000
Mg3 Mg 0.57106 0.41006 0.78312 1.00000
Mg4 Mg 0.41006 0.78312 0.57106 1.00000
Mg5 Mg 0.12694 0.78794 0.71688 1.00000
Mg6 Mg 0.58994 0.87306 0.16100 1.00000
Mg7 Mg 0.66100 0.37306 0.08994 1.00000
Mg8 Mg 0.28312 0.91006 0.07106 1.00000
Mg9 Mg 0.87306 0.16100 0.58994 1.00000
Mg10 Mg 0.37306 0.08994 0.66100 1.00000
Mg11 Mg 0.71206 0.83900 0.92894 1.00000
Mg12 Mg 0.33900 0.21206 0.42894 1.00000
Mg13 Mg 0.12500 0.87500 0.25000 1.00000
Mg14 Mg 0.92894 0.71206 0.83900 1.00000
Mg15 Mg 0.37500 0.62500 0.75000 1.00000
Mg16 Mg 0.21688 0.28794 0.62694 1.00000
Mg17 Mg 0.28794 0.62694 0.21688 1.00000
Mg18 Mg 0.62694 0.21688 0.28794 1.00000
Mg19 Mg 0.42894 0.33900 0.21206 1.00000
Mg20 Mg 0.87500 0.25000 0.12500 1.00000
Mg21 Mg 0.78794 0.71688 0.12694 1.00000
Mg22 Mg 0.71688 0.12694 0.78794 1.00000
Mg23 Mg 0.07106 0.28312 0.91006 1.00000
Mg24 Mg 0.08994 0.66100 0.37306 1.00000
Mg25 Mg 0.21206 0.42894 0.33900 1.00000
Mg26 Mg 0.78312 0.57106 0.41006 1.00000
Mg27 Mg 0.16100 0.58994 0.87306 1.00000
Mg28 Mg 0.75000 0.37500 0.62500 1.00000
Mg29 Mg 0.91006 0.07106 0.28312 1.00000
Mg30 Mg 0.62500 0.75000 0.37500 1.00000
