Ac4BiIr
Alexandria ALEXAlex-ID: agm003755327 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_828_spg15
Ac5Bi2Ir Ac2Ir Ac
2022-04-18 15:00:52.292963
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003755327).
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 agm003755327
data_agm003755327
_cell_length_a 7.14440
_cell_length_b 8.10263
_cell_length_c 9.22858
_cell_angle_alpha 105.49649
_cell_angle_beta 112.95532
_cell_angle_gamma 90.17480
_cell_volume 470.56341
_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 0.50244 0.04990 0.82104 1.00000
Ac2 Ac 0.67558 0.45129 0.18122 1.00000
Ac3 Ac 0.49756 0.95010 0.17896 1.00000
Ac4 Ac 0.32442 0.54871 0.81878 1.00000
Ac5 Ac 0.89660 0.84887 0.64706 1.00000
Ac6 Ac 0.24770 0.65052 0.35215 1.00000
Ac7 Ac 0.10340 0.15113 0.35294 1.00000
Ac8 Ac 0.75230 0.34948 0.64785 1.00000
Bi1 Bi 0.85224 0.75090 0.00117 1.00000
Bi2 Bi 0.14776 0.24910 0.99883 1.00000
Ir1 Ir 0.50000 0.00000 0.50000 1.00000
Ir2 Ir 0.00000 0.50000 0.50000 1.00000
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