Cr5TcRu2
Alexandria ALEXAlex-ID: agm036772913 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_62_spg140
TcRu TcRu3 Cr
2024-10-15 09:49:55.176622
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036772913).
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 agm036772913
data_agm036772913
_cell_length_a 6.56379
_cell_length_b 6.56379
_cell_length_c 6.56379
_cell_angle_alpha 116.95819
_cell_angle_beta 116.95819
_cell_angle_gamma 95.35461
_cell_volume 208.17199
_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
Cr1 Cr 0.18146 0.97671 0.50000 1.00000
Cr2 Cr 0.52329 0.31854 0.50000 1.00000
Cr3 Cr 0.50000 0.50000 0.00000 1.00000
Cr4 Cr 0.00000 0.00000 0.00000 1.00000
Cr5 Cr 0.47671 0.68146 0.50000 1.00000
Cr6 Cr 0.68146 0.18146 0.20475 1.00000
Cr7 Cr 0.97671 0.47671 0.79525 1.00000
Cr8 Cr 0.31854 0.81854 0.79525 1.00000
Cr9 Cr 0.02329 0.52329 0.20475 1.00000
Cr10 Cr 0.81854 0.02329 0.50000 1.00000
Tc1 Tc 0.25000 0.25000 0.00000 1.00000
Tc2 Tc 0.75000 0.75000 0.00000 1.00000
Ru1 Ru 0.85314 0.64686 0.50000 1.00000
Ru2 Ru 0.64686 0.14686 0.79372 1.00000
Ru3 Ru 0.35314 0.85314 0.20628 1.00000
Ru4 Ru 0.14686 0.35314 0.50000 1.00000
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