Y2NpCrN5
Alexandria ALEXAlex-ID: agm005152912 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
Y2NpN4 CrN
2023-01-16 18:37:38.569806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152912).
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 agm005152912
data_agm005152912
_cell_length_a 3.39134
_cell_length_b 6.97087
_cell_length_c 10.13753
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.07850
_cell_volume 232.45892
_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
Y1 Y 0.86738 0.73475 0.80383 1.00000
Y2 Y 0.10399 0.20797 0.68942 1.00000
Y3 Y 0.13262 0.26525 0.30383 1.00000
Y4 Y 0.89601 0.79203 0.18942 1.00000
Np1 Np 0.78981 0.57962 0.51166 1.00000
Np2 Np 0.21019 0.42038 0.01166 1.00000
Cr1 Cr 0.51686 0.03371 0.96173 1.00000
Cr2 Cr 0.48314 0.96629 0.46173 1.00000
N1 N 0.37466 0.74931 0.00102 1.00000
N2 N 0.68321 0.36643 0.88118 1.00000
N3 N 0.49261 0.98522 0.78288 1.00000
N4 N 0.28250 0.56499 0.65381 1.00000
N5 N 0.95471 0.90942 0.53843 1.00000
N6 N 0.62534 0.25069 0.50102 1.00000
N7 N 0.31679 0.63357 0.38118 1.00000
N8 N 0.50739 0.01478 0.28288 1.00000
N9 N 0.71750 0.43501 0.15381 1.00000
N10 N 0.04529 0.09058 0.03843 1.00000
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