Mn(NbW3)2
Alexandria ALEXAlex-ID: agm005661769 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_891_spg12
NbW5 NbW3 Mn2Nb
2023-07-08 18:23:11.971885
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661769).
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 agm005661769
data_agm005661769
_cell_length_a 4.57915
_cell_length_b 5.43929
_cell_length_c 9.22260
_cell_angle_alpha 133.08818
_cell_angle_beta 104.32314
_cell_angle_gamma 90.06587
_cell_volume 157.77450
_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 0.00000 0.00000 1.00000
Nb1 Nb 0.89848 0.32263 0.79634 1.00000
Nb2 Nb 0.10152 0.67737 0.20366 1.00000
W1 W 0.70397 0.06560 0.40779 1.00000
W2 W 0.29602 0.93440 0.59221 1.00000
W3 W 0.30322 0.46723 0.60566 1.00000
W4 W 0.49855 0.24650 0.99732 1.00000
W5 W 0.50144 0.75350 0.00268 1.00000
W6 W 0.69678 0.53277 0.39434 1.00000
Get direct link