Nd(CrN)5
Alexandria ALEXAlex-ID: agm022905511 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_0_spg12
Nd2CrN4 Cr2N CrN
2024-08-08 01:51:04.839673
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022905511).
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 agm022905511
data_agm022905511
_cell_length_a 5.28852
_cell_length_b 5.28852
_cell_length_c 6.06686
_cell_angle_alpha 73.58747
_cell_angle_beta 73.58747
_cell_angle_gamma 50.46486
_cell_volume 124.31579
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.66905 0.66905 0.66708 1.00000
Cr2 Cr 0.67429 0.67429 0.14847 1.00000
Cr3 Cr 0.00000 0.00000 0.50000 1.00000
Cr4 Cr 0.32571 0.32571 0.85153 1.00000
Cr5 Cr 0.33095 0.33095 0.33292 1.00000
N1 N 0.81783 0.81783 0.81178 1.00000
N2 N 0.81323 0.81323 0.36572 1.00000
N3 N 0.50000 0.50000 0.00000 1.00000
N4 N 0.18677 0.18677 0.63428 1.00000
N5 N 0.18217 0.18217 0.18822 1.00000
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