LiMnB14
Alexandria ALEXAlex-ID: agm005754014 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MnB4 LiB3 B
2023-07-18 21:49:18.222991
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754014).
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 agm005754014
data_agm005754014
_cell_length_a 5.84623
_cell_length_b 7.18059
_cell_length_c 7.18059
_cell_angle_alpha 69.21618
_cell_angle_beta 65.97813
_cell_angle_gamma 65.97814
_cell_volume 244.93615
_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
Li1 Li 0.25000 0.41238 0.08762 1.00000
Li2 Li 0.75000 0.58762 0.91238 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66671 0.37009 0.29650 1.00000
B2 B 0.33329 0.62991 0.70350 1.00000
B3 B 0.16671 0.79650 0.87009 1.00000
B4 B 0.83329 0.20350 0.12991 1.00000
B5 B 0.15119 0.23582 0.46180 1.00000
B6 B 0.84881 0.76418 0.53820 1.00000
B7 B 0.65119 0.96180 0.73582 1.00000
B8 B 0.34881 0.03820 0.26418 1.00000
B9 B 0.08996 0.07774 0.74234 1.00000
B10 B 0.91004 0.92226 0.25766 1.00000
B11 B 0.58996 0.24234 0.57774 1.00000
B12 B 0.41004 0.75766 0.42226 1.00000
B13 B 0.71863 0.60542 0.27423 1.00000
B14 B 0.59828 0.39458 0.72577 1.00000
B15 B 0.21863 0.77423 0.10542 1.00000
B16 B 0.09828 0.22577 0.89458 1.00000
B17 B 0.28137 0.39458 0.72577 1.00000
B18 B 0.40172 0.60542 0.27423 1.00000
B19 B 0.78137 0.22577 0.89458 1.00000
B20 B 0.90172 0.77423 0.10542 1.00000
B21 B 0.32887 0.96121 0.87593 1.00000
B22 B 0.16602 0.03879 0.12407 1.00000
B23 B 0.82887 0.37593 0.46121 1.00000
B24 B 0.66602 0.62407 0.53879 1.00000
B25 B 0.67113 0.03879 0.12407 1.00000
B26 B 0.83398 0.96121 0.87593 1.00000
B27 B 0.17113 0.62407 0.53879 1.00000
B28 B 0.33398 0.37593 0.46121 1.00000
