Zr2CrB2Os2Ru3
Alexandria ALEXAlex-ID: agm010724366 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E3_4_spg10
CrOs7 Zr3B2Ru5 ZrOs2 CrB Os
2024-05-03 13:19:43.099403
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010724366).
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 agm010724366
data_agm010724366
_cell_length_a 3.05122
_cell_length_b 9.41876
_cell_length_c 9.42852
_cell_angle_alpha 89.98370
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 270.96384
_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 0.32240 0.67801 1.00000
Zr2 Zr 0.00000 0.67760 0.32199 1.00000
Zr3 Zr 0.00000 0.17763 0.17717 1.00000
Zr4 Zr 0.00000 0.82237 0.82283 1.00000
Cr1 Cr 0.00000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.50000 0.00000 1.00000
B1 B 0.00000 0.87724 0.12217 1.00000
B2 B 0.00000 0.12276 0.87783 1.00000
B3 B 0.00000 0.62335 0.62240 1.00000
B4 B 0.00000 0.37665 0.37760 1.00000
Os1 Os 0.50000 0.50000 0.50000 1.00000
Os2 Os 0.50000 0.00000 0.00000 1.00000
Os3 Os 0.50000 0.78759 0.56848 1.00000
Os4 Os 0.50000 0.21241 0.43152 1.00000
Ru1 Ru 0.50000 0.71347 0.06956 1.00000
Ru2 Ru 0.50000 0.28653 0.93044 1.00000
Ru3 Ru 0.50000 0.93079 0.28605 1.00000
Ru4 Ru 0.50000 0.06921 0.71395 1.00000
Ru5 Ru 0.50000 0.43051 0.21318 1.00000
Ru6 Ru 0.50000 0.56949 0.78682 1.00000
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