PrCr(WN3)2
Alexandria ALEXAlex-ID: agm015553889 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_374_spg15
CrN2 W2N3 PrWN3 CrN
2024-10-22 14:24:07.260464
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015553889).
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 agm015553889
data_agm015553889
_cell_length_a 7.15434
_cell_length_b 7.15434
_cell_length_c 5.64196
_cell_angle_alpha 73.92921
_cell_angle_beta 73.92921
_cell_angle_gamma 80.63829
_cell_volume 265.49120
_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
Pr1 Pr 0.31044 0.68956 0.25000 1.00000
Pr2 Pr 0.68956 0.31044 0.75000 1.00000
Cr1 Cr 0.92852 0.07148 0.25000 1.00000
Cr2 Cr 0.07148 0.92852 0.75000 1.00000
W1 W 0.82896 0.62032 0.15636 1.00000
W2 W 0.37968 0.17104 0.34364 1.00000
W3 W 0.17104 0.37968 0.84364 1.00000
W4 W 0.62032 0.82896 0.65636 1.00000
N1 N 0.99539 0.81031 0.13857 1.00000
N2 N 0.18969 0.00461 0.36143 1.00000
N3 N 0.00461 0.18969 0.86143 1.00000
N4 N 0.81031 0.99539 0.63857 1.00000
N5 N 0.92357 0.36555 0.25941 1.00000
N6 N 0.63445 0.07643 0.24059 1.00000
N7 N 0.07643 0.63445 0.74059 1.00000
N8 N 0.36555 0.92357 0.75941 1.00000
N9 N 0.64685 0.63129 0.95198 1.00000
N10 N 0.36871 0.35315 0.54802 1.00000
N11 N 0.35315 0.36871 0.04802 1.00000
N12 N 0.63129 0.64685 0.45198 1.00000
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