AcIrC
Alexandria ALEXAlex-ID: agm005689136 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1636_spg1
AcIr C
2023-06-17 03:07:47.015727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689136).
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 agm005689136
data_agm005689136
_cell_length_a 4.42286
_cell_length_b 4.43020
_cell_length_c 7.61510
_cell_angle_alpha 106.26971
_cell_angle_beta 61.39933
_cell_angle_gamma 96.89865
_cell_volume 125.74069
_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
Ac1 Ac 0.95338 0.91921 0.24776 1.00000
Ac2 Ac 0.04662 0.08079 0.75224 1.00000
Ir1 Ir 0.63494 0.53193 0.63056 1.00000
Ir2 Ir 0.36506 0.46807 0.36944 1.00000
C1 C 0.52446 0.52542 0.91310 1.00000
C2 C 0.47554 0.47458 0.08690 1.00000
Get direct link