SbH2Ir2Se
Alexandria ALEXAlex-ID: agm006755705 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_299_spg11
SbIrSe Ir H2
2024-07-09 16:15:50.663532
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006755705).
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 agm006755705
data_agm006755705
_cell_length_a 5.43869
_cell_length_b 4.37936
_cell_length_c 8.46781
_cell_angle_alpha 108.70461
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 191.03412
_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
Sb1 Sb 0.25000 0.27956 0.58334 1.00000
Sb2 Sb 0.75000 0.72044 0.41666 1.00000
H1 H 0.25000 0.38135 0.27189 1.00000
H2 H 0.25000 0.88751 0.85700 1.00000
H3 H 0.75000 0.61865 0.72811 1.00000
H4 H 0.75000 0.11249 0.14300 1.00000
Ir1 Ir 0.99479 0.13922 0.29256 1.00000
Ir2 Ir 0.50521 0.13922 0.29256 1.00000
Ir3 Ir 0.49479 0.86078 0.70744 1.00000
Ir4 Ir 0.00521 0.86078 0.70744 1.00000
Se1 Se 0.75000 0.25145 0.90531 1.00000
Se2 Se 0.25000 0.74855 0.09469 1.00000
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