NdCo5As3
Alexandria ALEXAlex-ID: agm012724904 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_26_spg62
Nd(CoAs)2 CoAs Co
2025-02-27 04:23:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012724904).
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 agm012724904
data_agm012724904
_cell_length_a 3.83832
_cell_length_b 7.04681
_cell_length_c 18.72756
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 506.54129
_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 0.25000 0.12147 0.14307 1.00000
Nd2 Nd 0.75000 0.62147 0.35693 1.00000
Nd3 Nd 0.75000 0.87853 0.85693 1.00000
Nd4 Nd 0.25000 0.37853 0.64307 1.00000
Co1 Co 0.25000 0.31953 0.29861 1.00000
Co2 Co 0.75000 0.81953 0.20139 1.00000
Co3 Co 0.75000 0.68047 0.70139 1.00000
Co4 Co 0.25000 0.18047 0.79861 1.00000
Co5 Co 0.25000 0.63043 0.49540 1.00000
Co6 Co 0.75000 0.13043 0.00460 1.00000
Co7 Co 0.75000 0.36957 0.50460 1.00000
Co8 Co 0.25000 0.86957 0.99540 1.00000
Co9 Co 0.25000 0.37994 0.00804 1.00000
Co10 Co 0.75000 0.87994 0.49196 1.00000
Co11 Co 0.75000 0.62006 0.99196 1.00000
Co12 Co 0.25000 0.12006 0.50804 1.00000
Co13 Co 0.25000 0.63962 0.11068 1.00000
Co14 Co 0.75000 0.13962 0.38932 1.00000
Co15 Co 0.75000 0.36038 0.88932 1.00000
Co16 Co 0.25000 0.86038 0.61068 1.00000
Co17 Co 0.25000 0.93711 0.29588 1.00000
Co18 Co 0.75000 0.43711 0.20412 1.00000
Co19 Co 0.75000 0.06289 0.70412 1.00000
Co20 Co 0.25000 0.56289 0.79588 1.00000
As1 As 0.25000 0.89849 0.41904 1.00000
As2 As 0.75000 0.39849 0.08096 1.00000
As3 As 0.75000 0.10151 0.58096 1.00000
As4 As 0.25000 0.60151 0.91904 1.00000
As5 As 0.25000 0.62875 0.23531 1.00000
As6 As 0.75000 0.12875 0.26469 1.00000
As7 As 0.75000 0.37125 0.76469 1.00000
As8 As 0.25000 0.87125 0.73531 1.00000
As9 As 0.25000 0.35597 0.42591 1.00000
As10 As 0.75000 0.85597 0.07409 1.00000
As11 As 0.75000 0.64403 0.57409 1.00000
As12 As 0.25000 0.14403 0.92591 1.00000
