Nb2Mo4W5
Alexandria ALEXAlex-ID: agm005653314 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_915_spg12
Nb2Mo4W3 NbW12 Mo4W
2023-06-22 04:57:01.086073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653314).
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 agm005653314
data_agm005653314
_cell_length_a 2.74198
_cell_length_b 7.03174
_cell_length_c 11.53460
_cell_angle_alpha 57.07042
_cell_angle_beta 94.65548
_cell_angle_gamma 82.30951
_cell_volume 181.79350
_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 0.50029 0.45787 0.81512 1.00000
Nb2 Nb 0.49971 0.54213 0.18488 1.00000
Mo1 Mo 0.24537 0.26878 0.09598 1.00000
Mo2 Mo 0.35919 0.36081 0.45707 1.00000
Mo3 Mo 0.75463 0.73122 0.90402 1.00000
Mo4 Mo 0.64081 0.63919 0.54293 1.00000
W1 W 0.16599 0.18523 0.72090 1.00000
W2 W 0.90801 0.91409 0.63276 1.00000
W3 W 0.09199 0.08591 0.36724 1.00000
W4 W 0.83401 0.81477 0.27910 1.00000
W5 W 0.50000 0.00000 0.00000 1.00000
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