Ta4CrRu
Alexandria ALEXAlex-ID: agm003750985 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_169_spg123
Ta4Ru Ta3Ru TaCr2
2022-04-18 10:07:10.012224
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003750985).
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 agm003750985
data_agm003750985
_cell_length_a 4.28731
_cell_length_b 4.28762
_cell_length_c 6.16519
_cell_angle_alpha 89.95865
_cell_angle_beta 89.97819
_cell_angle_gamma 90.00012
_cell_volume 113.33072
_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
Ta1 Ta 0.50117 0.99702 0.25689 1.00000
Ta2 Ta 0.50142 0.99755 0.73936 1.00000
Ta3 Ta 0.00142 0.49756 0.73937 1.00000
Ta4 Ta 0.00117 0.49704 0.25691 1.00000
Cr1 Cr 0.00130 0.99729 0.49816 1.00000
Ru1 Ru 0.50130 0.49726 0.99813 1.00000
