Ce5DyIr6
Alexandria ALEXAlex-ID: agm003677534 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
CeDyIr2 CeIr
2022-04-09 19:57:04.727834
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003677534).
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 agm003677534
data_agm003677534
_cell_length_a 6.97107
_cell_length_b 6.97515
_cell_length_c 6.98080
_cell_angle_alpha 60.02676
_cell_angle_beta 80.40984
_cell_angle_gamma 70.52055
_cell_volume 277.20947
_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
Ce1 Ce 0.50000 0.16769 0.66463 1.00000
Ce2 Ce 1.00000 0.33405 0.33191 1.00000
Ce3 Ce 0.50000 0.50000 0.00000 1.00000
Ce4 Ce 0.00000 0.66595 0.66809 1.00000
Ce5 Ce 0.50000 0.83231 0.33537 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.74953 0.08339 0.33729 1.00000
Ir2 Ir 0.25047 0.57932 0.33729 1.00000
Ir3 Ir 0.25402 0.25213 0.00000 1.00000
Ir4 Ir 0.74598 0.74787 1.00000 1.00000
Ir5 Ir 0.74953 0.42068 0.66271 1.00000
Ir6 Ir 0.25047 0.91661 0.66271 1.00000
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