Nb(CrW3)2
Alexandria ALEXAlex-ID: agm005661872 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2179_spg12
NbW5 NbW12 Cr
2023-07-06 22:59:39.580347
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661872).
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 agm005661872
data_agm005661872
_cell_length_a 5.04839
_cell_length_b 6.33271
_cell_length_c 4.99548
_cell_angle_alpha 101.39542
_cell_angle_beta 90.06687
_cell_angle_gamma 66.27359
_cell_volume 142.77748
_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 0.00000 0.00000 1.00000
Cr1 Cr 0.81087 0.36819 0.84842 1.00000
Cr2 Cr 0.18913 0.63181 0.15158 1.00000
W1 W 0.74445 0.99908 0.49945 1.00000
W2 W 0.25555 0.00092 0.50055 1.00000
W3 W 0.24287 0.51230 0.62700 1.00000
W4 W 0.38616 0.22440 0.06033 1.00000
W5 W 0.61384 0.77560 0.93966 1.00000
W6 W 0.75713 0.48769 0.37300 1.00000
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