FeAs6Rh
Alexandria ALEXAlex-ID: agm005803345 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_89_spg12
As3Rh FeAs2 As
2023-07-24 19:19:59.050565
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803345).
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
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# CIF generated by HEAS from Alexandria entry agm005803345
data_agm005803345
_cell_length_a 7.32711
_cell_length_b 7.32711
_cell_length_c 7.29216
_cell_angle_alpha 109.52472
_cell_angle_beta 109.47377
_cell_angle_gamma 109.60877
_cell_volume 300.64714
_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
Fe1 Fe 0.00000 0.50000 0.00000 1.00000
Fe2 Fe 0.50000 0.00000 0.00000 1.00000
As1 As 0.15192 0.66007 0.81199 1.00000
As2 As 0.84808 0.33993 0.18801 1.00000
As3 As 0.85385 0.64606 0.49991 1.00000
As4 As 0.14615 0.35394 0.50009 1.00000
As5 As 0.80350 0.15830 0.66274 1.00000
As6 As 0.19650 0.84170 0.33726 1.00000
As7 As 0.50444 0.85924 0.66274 1.00000
As8 As 0.49556 0.14076 0.33726 1.00000
As9 As 0.64503 0.80317 0.14102 1.00000
As10 As 0.35497 0.19683 0.85898 1.00000
As11 As 0.66215 0.50401 0.85898 1.00000
As12 As 0.33785 0.49599 0.14102 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
Rh2 Rh 0.50000 0.50000 0.50000 1.00000
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