Ti3(NbW2)2
Alexandria ALEXAlex-ID: agm005692046 · Space group: Cccm (#66)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_283_spg15
NbW Ti TiW4
2023-06-30 22:04:27.934074
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692046).
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 agm005692046
data_agm005692046
_cell_length_a 4.83018
_cell_length_b 8.06197
_cell_length_c 8.06197
_cell_angle_alpha 76.56383
_cell_angle_beta 90.01628
_cell_angle_gamma 90.01627
_cell_volume 305.34626
_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
Ti1 Ti 0.99963 0.03535 0.16493 1.00000
Ti2 Ti 0.50037 0.83507 0.96465 1.00000
Ti3 Ti 0.00037 0.96465 0.83507 1.00000
Ti4 Ti 0.49963 0.16493 0.03535 1.00000
Ti5 Ti 0.25000 0.49998 0.50002 1.00000
Ti6 Ti 0.75000 0.50002 0.49998 1.00000
Nb1 Nb 0.50015 0.18217 0.36155 1.00000
Nb2 Nb 0.99985 0.63845 0.81783 1.00000
Nb3 Nb 0.49985 0.81783 0.63845 1.00000
Nb4 Nb 0.00015 0.36155 0.18217 1.00000
W1 W 0.49990 0.83078 0.29539 1.00000
W2 W 0.00010 0.70461 0.16922 1.00000
W3 W 0.50010 0.16922 0.70461 1.00000
W4 W 0.99990 0.29539 0.83078 1.00000
W5 W 0.00017 0.15607 0.52803 1.00000
W6 W 0.49983 0.47197 0.84393 1.00000
W7 W 0.99983 0.84393 0.47197 1.00000
W8 W 0.50017 0.52803 0.15607 1.00000
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