Mn3B4W3
Alexandria ALEXAlex-ID: agm005686551 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_6_spg38
MnBW Mn(BW)2 MnB
2023-06-29 07:59:25.657958
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686551).
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 agm005686551
data_agm005686551
_cell_length_a 3.15977
_cell_length_b 5.70658
_cell_length_c 5.70658
_cell_angle_alpha 89.39970
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 102.89245
_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
Mn1 Mn 0.00000 0.49503 0.99912 1.00000
Mn2 Mn 0.00000 0.00088 0.50497 1.00000
Mn3 Mn 0.50000 0.17815 0.82185 1.00000
B1 B 0.00000 0.61308 0.38692 1.00000
B2 B 0.00000 0.37618 0.62382 1.00000
B3 B 0.00000 0.89692 0.87934 1.00000
B4 B 0.00000 0.12066 0.10308 1.00000
W1 W 0.50000 0.82559 0.17441 1.00000
W2 W 0.50000 0.31858 0.32508 1.00000
W3 W 0.50000 0.67492 0.68142 1.00000
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