Y3Np(CrN2)4
Alexandria ALEXAlex-ID: agm044861041 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
NpCrN2 YN CrN
2024-08-15 00:23:39.922247
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044861041).
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 agm044861041
data_agm044861041
_cell_length_a 6.25285
_cell_length_b 6.25285
_cell_length_c 6.25285
_cell_angle_alpha 62.69855
_cell_angle_beta 62.69855
_cell_angle_gamma 62.69855
_cell_volume 183.25035
_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 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.00000 0.00000 1.00000
Cr3 Cr 0.00000 0.00000 0.50000 1.00000
Cr4 Cr 0.00000 0.50000 0.00000 1.00000
N1 N 0.74293 0.23077 0.74293 1.00000
N2 N 0.74293 0.74293 0.23077 1.00000
N3 N 0.76182 0.76182 0.76182 1.00000
N4 N 0.23077 0.74293 0.74293 1.00000
N5 N 0.76923 0.25707 0.25707 1.00000
N6 N 0.23818 0.23818 0.23818 1.00000
N7 N 0.25707 0.25707 0.76923 1.00000
N8 N 0.25707 0.76923 0.25707 1.00000
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