IrC4
Alexandria ALEXAlex-ID: agm005255216 · Space group: Pbca (#61)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_151_spg61
C Ir
2024-10-03 23:39:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005255216).
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 agm005255216
data_agm005255216
_cell_length_a 4.89487
_cell_length_b 9.22284
_cell_length_c 7.44654
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 336.17129
_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
Ir1 Ir 0.37437 0.56507 0.86836 1.00000
Ir2 Ir 0.87437 0.43493 0.63164 1.00000
Ir3 Ir 0.62563 0.93493 0.36836 1.00000
Ir4 Ir 0.12563 0.06507 0.13164 1.00000
Ir5 Ir 0.62563 0.43493 0.13164 1.00000
Ir6 Ir 0.12563 0.56507 0.36836 1.00000
Ir7 Ir 0.37437 0.06507 0.63164 1.00000
Ir8 Ir 0.87437 0.93493 0.86836 1.00000
C1 C 0.44837 0.74800 0.69180 1.00000
C2 C 0.94837 0.25200 0.80820 1.00000
C3 C 0.55163 0.75200 0.19180 1.00000
C4 C 0.05163 0.24800 0.30820 1.00000
C5 C 0.55163 0.25200 0.30820 1.00000
C6 C 0.05163 0.74800 0.19180 1.00000
C7 C 0.44837 0.24800 0.80820 1.00000
C8 C 0.94837 0.75200 0.69180 1.00000
C9 C 0.30167 0.76034 0.07990 1.00000
C10 C 0.80167 0.23966 0.42010 1.00000
C11 C 0.69833 0.73966 0.57990 1.00000
C12 C 0.19833 0.26034 0.92010 1.00000
C13 C 0.69833 0.23966 0.92010 1.00000
C14 C 0.19833 0.76034 0.57990 1.00000
C15 C 0.30167 0.26034 0.42010 1.00000
C16 C 0.80167 0.73966 0.07990 1.00000
C17 C 0.77102 0.61555 0.95695 1.00000
C18 C 0.27102 0.38445 0.54305 1.00000
C19 C 0.22898 0.88445 0.45695 1.00000
C20 C 0.72898 0.11555 0.04305 1.00000
C21 C 0.22898 0.38445 0.04305 1.00000
C22 C 0.72898 0.61555 0.45695 1.00000
C23 C 0.77102 0.11555 0.54305 1.00000
C24 C 0.27102 0.88445 0.95695 1.00000
C25 C 0.96982 0.61780 0.80975 1.00000
C26 C 0.46982 0.38220 0.69025 1.00000
C27 C 0.03018 0.88220 0.30975 1.00000
C28 C 0.53018 0.11780 0.19025 1.00000
C29 C 0.03018 0.38220 0.19025 1.00000
C30 C 0.53018 0.61780 0.30975 1.00000
C31 C 0.96982 0.11780 0.69025 1.00000
C32 C 0.46982 0.88220 0.80975 1.00000
