Na3(CuAs2)2
Alexandria ALEXAlex-ID: agm005670182 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_141_spg12
Na(CuAs)2 NaAs
2023-06-27 10:56:18.666072
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670182).
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 agm005670182
data_agm005670182
_cell_length_a 4.13989
_cell_length_b 5.88811
_cell_length_c 7.87098
_cell_angle_alpha 83.20623
_cell_angle_beta 90.02744
_cell_angle_gamma 69.41897
_cell_volume 178.17434
_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
Na1 Na 0.59960 0.80176 0.71254 1.00000
Na2 Na 0.00000 0.00000 0.00000 1.00000
Na3 Na 0.40040 0.19824 0.28746 1.00000
Cu1 Cu 0.71437 0.56915 0.39576 1.00000
Cu2 Cu 0.28563 0.43085 0.60424 1.00000
As1 As 0.70505 0.59039 0.07586 1.00000
As2 As 0.29495 0.40961 0.92414 1.00000
As3 As 0.91066 0.18025 0.59077 1.00000
As4 As 0.08934 0.81975 0.40923 1.00000
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