Co(NiAs3)2
Alexandria ALEXAlex-ID: agm005649545 · Space group: P-31m (#162)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_411_spg162
NiAs2 CoAs3 Ni11As8
2023-07-06 21:46:34.534791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649545).
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 agm005649545
data_agm005649545
_cell_length_a 4.62347
_cell_length_b 6.08897
_cell_length_c 6.08897
_cell_angle_alpha 119.99753
_cell_angle_beta 90.00022
_cell_angle_gamma 90.00023
_cell_volume 148.45590
_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
Co1 Co 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.50000 0.66667 0.33333 1.00000
Ni2 Ni 0.50000 0.33333 0.66667 1.00000
As1 As 0.78114 0.64560 0.64560 1.00000
As2 As 0.21885 0.64558 0.99999 1.00000
As3 As 0.21885 0.99999 0.64558 1.00000
As4 As 0.78115 0.35442 0.00001 1.00000
As5 As 0.21886 0.35440 0.35440 1.00000
As6 As 0.78115 0.00001 0.35442 1.00000
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