Ac3ErIr2
Alexandria ALEXAlex-ID: agm005692392 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_82_spg12
Er5Ir3 Ac2Ir Ac
2023-08-17 20:21:32.425576
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692392).
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 agm005692392
data_agm005692392
_cell_length_a 4.48330
_cell_length_b 8.96075
_cell_length_c 11.18808
_cell_angle_alpha 70.08919
_cell_angle_beta 78.44032
_cell_angle_gamma 75.51270
_cell_volume 405.87336
_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 0.05034 0.13702 0.76232 1.00000
Ac2 Ac 0.94966 0.86298 0.23768 1.00000
Ac3 Ac 0.66092 0.68670 0.99145 1.00000
Ac4 Ac 0.33908 0.31330 0.00855 1.00000
Ac5 Ac 0.78353 0.82500 0.60795 1.00000
Ac6 Ac 0.21647 0.17500 0.39205 1.00000
Er1 Er 0.42850 0.48706 0.65594 1.00000
Er2 Er 0.57150 0.51294 0.34406 1.00000
Ir1 Ir 0.86061 0.45775 0.82102 1.00000
Ir2 Ir 0.13939 0.54225 0.17898 1.00000
Ir3 Ir 0.61332 0.20929 0.56405 1.00000
Ir4 Ir 0.38668 0.79071 0.43595 1.00000
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