Tc4Rh
Alexandria ALEXAlex-ID: agm005406947 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_10_spg139
Tc3Rh Tc
2023-03-17 21:39:32.290889
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005406947).
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 agm005406947
data_agm005406947
_cell_length_a 6.34830
_cell_length_b 6.34830
_cell_length_c 6.34830
_cell_angle_alpha 145.47243
_cell_angle_beta 145.47243
_cell_angle_gamma 49.63104
_cell_volume 81.80905
_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
Tc1 Tc 0.75000 0.25000 0.50000 1.00000
Tc2 Tc 0.39813 0.39813 0.00000 1.00000
Tc3 Tc 0.60187 0.60187 0.00000 1.00000
Tc4 Tc 0.25000 0.75000 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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