LaMnB14
Alexandria ALEXAlex-ID: agm005754782 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MnB4 LaB6 B
2023-07-18 14:08:12.602812
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754782).
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 agm005754782
data_agm005754782
_cell_length_a 5.86007
_cell_length_b 7.46670
_cell_length_c 7.46670
_cell_angle_alpha 68.10934
_cell_angle_beta 66.89525
_cell_angle_gamma 66.89525
_cell_volume 266.99114
_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 0.37737 0.12263 1.00000
La2 La 0.75000 0.62263 0.87737 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66556 0.36521 0.30368 1.00000
B2 B 0.33444 0.63479 0.69632 1.00000
B3 B 0.16556 0.80368 0.86521 1.00000
B4 B 0.83444 0.19632 0.13479 1.00000
B5 B 0.12667 0.23838 0.50829 1.00000
B6 B 0.87333 0.76162 0.49171 1.00000
B7 B 0.62667 0.00829 0.73838 1.00000
B8 B 0.37333 0.99171 0.26162 1.00000
B9 B 0.08307 0.08476 0.74910 1.00000
B10 B 0.91693 0.91524 0.25090 1.00000
B11 B 0.58307 0.24910 0.58476 1.00000
B12 B 0.41693 0.75090 0.41524 1.00000
B13 B 0.71930 0.60063 0.28175 1.00000
B14 B 0.60168 0.39937 0.71825 1.00000
B15 B 0.21930 0.78175 0.10063 1.00000
B16 B 0.10168 0.21825 0.89937 1.00000
B17 B 0.28070 0.39937 0.71825 1.00000
B18 B 0.39832 0.60063 0.28175 1.00000
B19 B 0.78070 0.21825 0.89937 1.00000
B20 B 0.89832 0.78175 0.10063 1.00000
B21 B 0.32523 0.97206 0.87545 1.00000
B22 B 0.17274 0.02794 0.12455 1.00000
B23 B 0.82523 0.37545 0.47206 1.00000
B24 B 0.67274 0.62455 0.52794 1.00000
B25 B 0.67477 0.02794 0.12455 1.00000
B26 B 0.82726 0.97206 0.87545 1.00000
B27 B 0.17477 0.62455 0.52794 1.00000
B28 B 0.32726 0.37545 0.47206 1.00000
