ZrTcRu
Alexandria ALEXAlex-ID: agm002034483 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_5487_spg12
Tc ZrRu
2021-11-20 00:25:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002034483).
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 agm002034483
data_agm002034483
_cell_length_a 6.69583
_cell_length_b 4.30200
_cell_length_c 9.63056
_cell_angle_alpha 90.00000
_cell_angle_beta 130.27055
_cell_angle_gamma 90.00000
_cell_volume 211.66614
_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
Ru1 Ru 0.29003 0.00000 0.33137 1.00000
Ru2 Ru 0.70997 0.00000 0.66863 1.00000
Ru3 Ru 0.29003 0.50000 0.83137 1.00000
Ru4 Ru 0.70997 0.50000 0.16863 1.00000
Tc1 Tc 0.93086 0.00000 0.34785 1.00000
Tc2 Tc 0.06914 0.00000 0.65215 1.00000
Tc3 Tc 0.93086 0.50000 0.84785 1.00000
Tc4 Tc 0.06914 0.50000 0.15215 1.00000
Zr1 Zr 0.31380 0.00000 0.06259 1.00000
Zr2 Zr 0.68620 0.00000 0.93741 1.00000
Zr3 Zr 0.31380 0.50000 0.56259 1.00000
Zr4 Zr 0.68620 0.50000 0.43741 1.00000
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