FeAs2Ru
Alexandria ALEXAlex-ID: agm002829429 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7_spg122
As2Ru Fe
2016-03-14 20:25:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002829429).
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 agm002829429
data_agm002829429
_cell_length_a 5.36729
_cell_length_b 5.36729
_cell_length_c 6.55029
_cell_angle_alpha 65.81409
_cell_angle_beta 65.81409
_cell_angle_gamma 90.00000
_cell_volume 153.79842
_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
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.75000 0.25000 0.50000 1.00000
As1 As 0.60690 0.12500 0.25000 1.00000
As2 As 0.14310 0.62500 0.25000 1.00000
As3 As 0.37500 0.39310 0.75000 1.00000
As4 As 0.87500 0.85690 0.75000 1.00000
Fe1 Fe 0.50000 0.50000 0.00000 1.00000
Fe2 Fe 0.25000 0.75000 0.50000 1.00000
Get direct link