Ac3AgIrPd
Alexandria ALEXAlex-ID: agm005039596 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_377_spg11
Ac4AgIr2 Ac2IrPd AcAg2 AcPd
2022-07-07 05:10:29.850959
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005039596).
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 agm005039596
data_agm005039596
_cell_length_a 4.36419
_cell_length_b 9.49665
_cell_length_c 9.60780
_cell_angle_alpha 106.85964
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 381.08224
_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 0.25000 0.72331 0.49353 1.00000
Ac2 Ac 0.75000 0.88575 0.18408 1.00000
Ac3 Ac 0.75000 0.43761 0.14467 1.00000
Ac4 Ac 0.75000 0.27669 0.50647 1.00000
Ac5 Ac 0.25000 0.56239 0.85533 1.00000
Ac6 Ac 0.25000 0.11425 0.81592 1.00000
Ag1 Ag 0.75000 0.81618 0.79188 1.00000
Ag2 Ag 0.25000 0.18382 0.20812 1.00000
Ir1 Ir 0.25000 0.66503 0.17651 1.00000
Ir2 Ir 0.75000 0.33497 0.82349 1.00000
Pd1 Pd 0.25000 0.03600 0.42400 1.00000
Pd2 Pd 0.75000 0.96400 0.57600 1.00000
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