MnCr(WN3)2
Alexandria ALEXAlex-ID: agm057705771 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_374_spg15
CrN2 W2N3 MnN
2024-10-22 14:41:00.739564
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm057705771).
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 agm057705771
data_agm057705771
_cell_length_a 6.62147
_cell_length_b 6.62147
_cell_length_c 4.96831
_cell_angle_alpha 79.18324
_cell_angle_beta 79.18324
_cell_angle_gamma 79.58989
_cell_volume 207.75502
_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
Mn1 Mn 0.08262 0.91738 0.25000 1.00000
Mn2 Mn 0.91738 0.08262 0.75000 1.00000
Cr1 Cr 0.72565 0.27435 0.25000 1.00000
Cr2 Cr 0.27435 0.72565 0.75000 1.00000
W1 W 0.18411 0.35180 0.63068 1.00000
W2 W 0.64820 0.81589 0.86932 1.00000
W3 W 0.81589 0.64820 0.36932 1.00000
W4 W 0.35180 0.18411 0.13068 1.00000
N1 N 0.03899 0.19549 0.01617 1.00000
N2 N 0.80451 0.96101 0.48383 1.00000
N3 N 0.96101 0.80451 0.98383 1.00000
N4 N 0.19549 0.03899 0.51617 1.00000
N5 N 0.11838 0.64573 0.48595 1.00000
N6 N 0.35427 0.88162 0.01405 1.00000
N7 N 0.88162 0.35427 0.51405 1.00000
N8 N 0.64573 0.11838 0.98595 1.00000
N9 N 0.46216 0.29721 0.43838 1.00000
N10 N 0.70279 0.53784 0.06162 1.00000
N11 N 0.53784 0.70279 0.56162 1.00000
N12 N 0.29721 0.46216 0.93838 1.00000
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