Nb2Mo3W2
Alexandria ALEXAlex-ID: agm090813827 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_94_spg12
Nb3Mo3W2 NbMo2W NbW3
2025-05-06 13:49:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090813827).
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
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# CIF generated by HEAS from Alexandria entry agm090813827
data_agm090813827
_cell_length_a 5.32210
_cell_length_b 5.32210
_cell_length_c 7.17103
_cell_angle_alpha 82.32354
_cell_angle_beta 97.67646
_cell_angle_gamma 144.90046
_cell_volume 115.64056
_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 0.92836 0.07164 0.28342 1.00000
Nb2 Nb 0.07164 0.92836 0.71658 1.00000
Mo1 Mo 0.21206 0.78794 0.14163 1.00000
Mo2 Mo 0.78794 0.21206 0.85837 1.00000
Mo3 Mo 0.50000 0.50000 0.00000 1.00000
W1 W 0.35384 0.64616 0.57305 1.00000
W2 W 0.64616 0.35384 0.42695 1.00000
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