Cr3(WN4)2
Alexandria ALEXAlex-ID: agm017145616 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_276_spg2
CrN2 W2N3 CrN
2024-10-15 08:53:38.219105
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017145616).
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 agm017145616
data_agm017145616
_cell_length_a 5.50515
_cell_length_b 5.45233
_cell_length_c 8.09451
_cell_angle_alpha 65.59630
_cell_angle_beta 67.52516
_cell_angle_gamma 60.58100
_cell_volume 187.73591
_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
Cr1 Cr 0.23237 0.93505 0.97199 1.00000
Cr2 Cr 0.29831 0.57600 0.79809 1.00000
Cr3 Cr 0.23939 0.25335 0.13977 1.00000
W1 W 0.01684 0.30728 0.54110 1.00000
W2 W 0.47708 0.50500 0.37602 1.00000
N1 N 0.07676 0.59823 0.55187 1.00000
N2 N 0.40054 0.22654 0.34964 1.00000
N3 N 0.58331 0.45158 0.60874 1.00000
N4 N 0.42670 0.51337 0.98347 1.00000
N5 N 0.11091 0.97806 0.75230 1.00000
N6 N 0.12002 0.33693 0.92647 1.00000
N7 N 0.90376 0.36461 0.30303 1.00000
N8 N 0.38596 0.85335 0.18143 1.00000
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