Nb3Cr(WN4)2
Alexandria ALEXAlex-ID: agm042321769 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_833_spg1
Nb5N6 CrN2 W2N3 CrN
2024-10-15 07:12:39.385010
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042321769).
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 agm042321769
data_agm042321769
_cell_length_a 5.23247
_cell_length_b 5.23530
_cell_length_c 6.14705
_cell_angle_alpha 72.88270
_cell_angle_beta 88.61703
_cell_angle_gamma 80.88233
_cell_volume 158.85181
_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 0.35711 0.05090 0.74009 1.00000
Nb2 Nb 0.33104 0.03564 0.26441 1.00000
Nb3 Nb 0.65377 0.52363 0.60040 1.00000
Cr1 Cr 0.87021 0.99668 0.01706 1.00000
W1 W 0.65597 0.48738 0.14952 1.00000
W2 W 0.10914 0.55794 0.88951 1.00000
N1 N 0.49105 0.27909 0.44030 1.00000
N2 N 0.26392 0.76062 0.58884 1.00000
N3 N 0.72940 0.77176 0.29866 1.00000
N4 N 0.99880 0.27241 0.73397 1.00000
N5 N 0.73924 0.77234 0.82865 1.00000
N6 N 0.98136 0.25741 0.20000 1.00000
N7 N 0.23996 0.77785 0.07303 1.00000
N8 N 0.50530 0.28211 0.94692 1.00000
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