In8SbIr4
Alexandria ALEXAlex-ID: agm097378259 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_791_spg191
In3Ir Sb2Ir In2Ir
2025-06-16 03:13:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097378259).
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 agm097378259
data_agm097378259
_cell_length_a 4.21211
_cell_length_b 8.71684
_cell_length_c 9.05458
_cell_angle_alpha 58.94316
_cell_angle_beta 90.00188
_cell_angle_gamma 90.00164
_cell_volume 284.79612
_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
In1 In 0.46149 0.12023 0.32787 1.00000
In2 In 0.96152 0.75678 0.98251 1.00000
In3 In 0.96146 0.76182 0.49696 1.00000
In4 In 0.46157 0.18286 0.66460 1.00000
In5 In 0.46151 0.60193 0.34369 1.00000
In6 In 0.96151 0.37037 0.30533 1.00000
In7 In 0.96160 0.39463 0.92025 1.00000
In8 In 0.46150 0.77180 0.74090 1.00000
Sb1 Sb 0.46162 0.99165 0.09558 1.00000
Ir1 Ir 0.96160 0.10279 0.88561 1.00000
Ir2 Ir 0.46154 0.50358 0.07665 1.00000
Ir3 Ir 0.96157 0.42620 0.58020 1.00000
Ir4 Ir 0.96153 0.01534 0.57985 1.00000
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