ReSbAs2
Alexandria ALEXAlex-ID: agm005790708 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_357_spg12
Re Sb Re3As7
2023-07-14 15:10:26.003426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005790708).
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 agm005790708
data_agm005790708
_cell_length_a 3.11392
_cell_length_b 6.19649
_cell_length_c 9.17216
_cell_angle_alpha 83.93855
_cell_angle_beta 80.25159
_cell_angle_gamma 89.99411
_cell_volume 173.42112
_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
Re1 Re 0.27386 0.90628 0.55949 1.00000
Re2 Re 0.78154 0.27972 0.54386 1.00000
Sb1 Sb 0.99706 0.80640 0.11136 1.00000
Sb2 Sb 0.05822 0.37967 0.99199 1.00000
As1 As 0.84758 0.67458 0.41153 1.00000
As2 As 0.38410 0.19582 0.33823 1.00000
As3 As 0.20782 0.51144 0.69181 1.00000
As4 As 0.67128 0.99018 0.76512 1.00000
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