Ac5HIr2Rh
Alexandria ALEXAlex-ID: agm005158366 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_218_spg36
Ac7Ir5 AcH2 AcRh Ac2Ir
2023-01-07 23:53:51.817028
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158366).
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 agm005158366
data_agm005158366
_cell_length_a 4.29495
_cell_length_b 9.20672
_cell_length_c 12.93961
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.48854
_cell_volume 497.55048
_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 0.32955 0.65910 0.02819 1.00000
Ac2 Ac 0.67211 0.34423 0.88572 1.00000
Ac3 Ac 0.49594 0.99188 0.71920 1.00000
Ac4 Ac 0.29681 0.59363 0.70798 1.00000
Ac5 Ac 0.99993 0.99986 0.46599 1.00000
Ac6 Ac 0.67045 0.34090 0.52819 1.00000
Ac7 Ac 0.32789 0.65577 0.38572 1.00000
Ac8 Ac 0.50406 0.00812 0.21920 1.00000
Ac9 Ac 0.70319 0.40637 0.20798 1.00000
Ac10 Ac 0.00007 0.00014 0.96599 1.00000
H1 H 0.53268 0.06537 0.89835 1.00000
H2 H 0.46732 0.93463 0.39835 1.00000
Ir1 Ir 0.85375 0.70750 0.85655 1.00000
Ir2 Ir 0.11713 0.23425 0.70436 1.00000
Ir3 Ir 0.14625 0.29250 0.35655 1.00000
Ir4 Ir 0.88287 0.76575 0.20436 1.00000
Rh1 Rh 0.84554 0.69108 0.55763 1.00000
Rh2 Rh 0.15446 0.30892 0.05763 1.00000
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