LaMgB14
Alexandria ALEXAlex-ID: agm005754623 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MgB7 LaB6 B
2023-07-18 13:59:15.107805
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754623).
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 agm005754623
data_agm005754623
_cell_length_a 5.94138
_cell_length_b 7.47224
_cell_length_c 7.47224
_cell_angle_alpha 68.36599
_cell_angle_beta 66.57405
_cell_angle_gamma 66.57405
_cell_volume 270.42061
_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
La1 La 0.25000 0.38661 0.11339 1.00000
La2 La 0.75000 0.61339 0.88661 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66593 0.36445 0.30369 1.00000
B2 B 0.33407 0.63555 0.69631 1.00000
B3 B 0.16593 0.80369 0.86445 1.00000
B4 B 0.83407 0.19631 0.13555 1.00000
B5 B 0.12979 0.23912 0.50131 1.00000
B6 B 0.87021 0.76088 0.49869 1.00000
B7 B 0.62979 0.00131 0.73912 1.00000
B8 B 0.37021 0.99869 0.26088 1.00000
B9 B 0.08236 0.08558 0.74970 1.00000
B10 B 0.91764 0.91442 0.25030 1.00000
B11 B 0.58236 0.24970 0.58558 1.00000
B12 B 0.41764 0.75030 0.41442 1.00000
B13 B 0.71919 0.60068 0.28192 1.00000
B14 B 0.60179 0.39932 0.71808 1.00000
B15 B 0.21919 0.78192 0.10068 1.00000
B16 B 0.10179 0.21808 0.89932 1.00000
B17 B 0.28081 0.39932 0.71808 1.00000
B18 B 0.39821 0.60068 0.28192 1.00000
B19 B 0.78081 0.21808 0.89932 1.00000
B20 B 0.89821 0.78192 0.10068 1.00000
B21 B 0.32363 0.97217 0.87722 1.00000
B22 B 0.17303 0.02783 0.12278 1.00000
B23 B 0.82363 0.37722 0.47217 1.00000
B24 B 0.67303 0.62278 0.52783 1.00000
B25 B 0.67637 0.02783 0.12278 1.00000
B26 B 0.82697 0.97217 0.87722 1.00000
B27 B 0.17637 0.62278 0.52783 1.00000
B28 B 0.32697 0.37722 0.47217 1.00000
