Zr2CrB2Ir3Ru2
Alexandria ALEXAlex-ID: agm010790175 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E3_4_spg10
Zr3B2Ru5 Zr2B(Ir2Ru)2 ZrB2 CrB ZrRu
2024-07-20 06:07:27.187152
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010790175).
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 agm010790175
data_agm010790175
_cell_length_a 3.10396
_cell_length_b 9.44550
_cell_length_c 9.40754
_cell_angle_alpha 90.12028
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 275.81404
_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
Zr1 Zr 0.00000 0.82431 0.67133 1.00000
Zr2 Zr 0.00000 0.17569 0.32867 1.00000
Zr3 Zr 0.00000 0.67507 0.17767 1.00000
Zr4 Zr 0.00000 0.32493 0.82233 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.00000 1.00000
B1 B 0.00000 0.37726 0.12246 1.00000
B2 B 0.00000 0.62274 0.87754 1.00000
B3 B 0.00000 0.12478 0.62104 1.00000
B4 B 0.00000 0.87522 0.37896 1.00000
Ir1 Ir 0.50000 0.21742 0.07100 1.00000
Ir2 Ir 0.50000 0.78258 0.92900 1.00000
Ir3 Ir 0.50000 0.42854 0.28281 1.00000
Ir4 Ir 0.50000 0.57146 0.71719 1.00000
Ir5 Ir 0.50000 0.92938 0.21721 1.00000
Ir6 Ir 0.50000 0.07062 0.78279 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
Ru2 Ru 0.50000 0.50000 0.00000 1.00000
Ru3 Ru 0.50000 0.28424 0.57123 1.00000
Ru4 Ru 0.50000 0.71576 0.42877 1.00000
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