Nb3B4Mo
Alexandria ALEXAlex-ID: agm003550409 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_353_spg71
NbB NbB2Mo
2022-04-01 10:15:09.337477
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003550409).
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 agm003550409
data_agm003550409
_cell_length_a 3.24388
_cell_length_b 4.83662
_cell_length_c 6.85896
_cell_angle_alpha 110.63534
_cell_angle_beta 103.67829
_cell_angle_gamma 90.00000
_cell_volume 97.44080
_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
Nb1 Nb 0.00000 0.50000 0.00000 1.00000
Nb2 Nb 0.19461 0.19459 0.38921 1.00000
Nb3 Nb 0.80539 0.80541 0.61079 1.00000
B1 B 0.36898 0.54589 0.73795 1.00000
B2 B 0.63102 0.45411 0.26205 1.00000
B3 B 0.63115 0.80841 0.26231 1.00000
B4 B 0.36885 0.19159 0.73769 1.00000
Mo1 Mo 0.50000 0.00000 0.00000 1.00000
Get direct link