Ac6IrPb5
Alexandria ALEXAlex-ID: agm003677522 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_49_spg12
Ac5Pb4 Ac3Pb4 Ac2IrPb
2022-04-09 22:59:44.336399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003677522).
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 agm003677522
data_agm003677522
_cell_length_a 7.66433
_cell_length_b 9.50136
_cell_length_c 7.96198
_cell_angle_alpha 53.36821
_cell_angle_beta 81.19549
_cell_angle_gamma 75.13576
_cell_volume 449.71453
_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 0.78782 0.04599 0.31732 1.00000
Ac2 Ac 0.21218 0.63669 0.31732 1.00000
Ac3 Ac 0.27268 0.18233 0.00000 1.00000
Ac4 Ac 0.72732 0.81767 1.00000 1.00000
Ac5 Ac 0.78782 0.36331 0.68268 1.00000
Ac6 Ac 0.21218 0.95401 0.68268 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.50000 0.22229 0.55542 1.00000
Pb2 Pb 0.00000 0.37763 0.24473 1.00000
Pb3 Pb 0.50000 0.50000 0.00000 1.00000
Pb4 Pb 1.00000 0.62237 0.75527 1.00000
Pb5 Pb 0.50000 0.77771 0.44458 1.00000
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