U8CrIr2Ru
Alexandria ALEXAlex-ID: agm063667556 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1011_spg2
U4Ru UIr U Cr
2024-08-25 21:49:47.896735
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063667556).
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 agm063667556
data_agm063667556
_cell_length_a 2.76275
_cell_length_b 8.14375
_cell_length_c 9.43489
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 212.27735
_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
U1 U 0.00000 0.16245 0.75297 1.00000
U2 U 0.00000 0.32648 0.00000 1.00000
U3 U 0.00000 0.83755 0.75297 1.00000
U4 U 0.00000 0.83755 0.24703 1.00000
U5 U 0.00000 0.67352 0.00000 1.00000
U6 U 0.00000 0.16245 0.24703 1.00000
U7 U 0.00000 0.33040 0.50000 1.00000
U8 U 0.00000 0.66960 0.50000 1.00000
Cr1 Cr 0.50000 0.00000 0.00000 1.00000
Ir1 Ir 0.50000 0.50000 0.24814 1.00000
Ir2 Ir 0.50000 0.50000 0.75186 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
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