Np2V(CrN2)3
Alexandria ALEXAlex-ID: agm033890426 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_168_spg12
NpCrN2 VN CrN
2024-08-08 03:33:12.829903
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033890426).
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 agm033890426
data_agm033890426
_cell_length_a 6.99678
_cell_length_b 6.99678
_cell_length_c 5.86354
_cell_angle_alpha 89.92366
_cell_angle_beta 89.92366
_cell_angle_gamma 25.36689
_cell_volume 122.97565
_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
Np1 Np 0.18298 0.18298 0.75032 1.00000
Np2 Np 0.81702 0.81702 0.24968 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
Cr2 Cr 0.12395 0.12395 0.25240 1.00000
Cr3 Cr 0.87605 0.87605 0.74760 1.00000
N1 N 0.65290 0.65290 0.03775 1.00000
N2 N 0.34689 0.34689 0.53366 1.00000
N3 N 0.34710 0.34710 0.96225 1.00000
N4 N 0.98627 0.98627 0.25144 1.00000
N5 N 0.01373 0.01373 0.74856 1.00000
N6 N 0.65311 0.65311 0.46634 1.00000
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