NbAs2Rh
Alexandria ALEXAlex-ID: agm002136014 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_165_spg62
NbAsRh NbAs As2Rh
2023-03-24 06:20:59.945101
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002136014).
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 agm002136014
data_agm002136014
_cell_length_a 3.59101
_cell_length_b 5.73285
_cell_length_c 12.92275
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 266.03741
_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
Nb1 Nb 0.75000 0.99534 0.82829 1.00000
Nb2 Nb 0.25000 0.00466 0.17171 1.00000
Nb3 Nb 0.75000 0.49534 0.67171 1.00000
Nb4 Nb 0.25000 0.50466 0.32829 1.00000
Rh1 Rh 0.75000 0.99033 0.59138 1.00000
Rh2 Rh 0.25000 0.00967 0.40862 1.00000
Rh3 Rh 0.75000 0.49033 0.90862 1.00000
Rh4 Rh 0.25000 0.50967 0.09138 1.00000
As1 As 0.75000 0.84096 0.30296 1.00000
As2 As 0.25000 0.15904 0.69704 1.00000
As3 As 0.75000 0.34096 0.19704 1.00000
As4 As 0.25000 0.65904 0.80296 1.00000
As5 As 0.75000 0.81506 0.03704 1.00000
As6 As 0.25000 0.18494 0.96296 1.00000
As7 As 0.75000 0.31506 0.46296 1.00000
As8 As 0.25000 0.68494 0.53704 1.00000
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