Ti4Cu4Rh3
Alexandria ALEXAlex-ID: agm005709110 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
Ti2Rh Cu TiRh
2023-06-29 23:28:54.954692
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709110).
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 agm005709110
data_agm005709110
_cell_length_a 2.95479
_cell_length_b 3.46813
_cell_length_c 15.34155
_cell_angle_alpha 96.50872
_cell_angle_beta 95.52591
_cell_angle_gamma 89.99831
_cell_volume 155.46537
_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
Ti1 Ti 0.54885 0.54875 0.09872 1.00000
Ti2 Ti 0.45115 0.45127 0.90129 1.00000
Ti3 Ti 0.81887 0.81846 0.63642 1.00000
Ti4 Ti 0.18109 0.18156 0.36358 1.00000
Cu1 Cu 0.09102 0.09197 0.18440 1.00000
Cu2 Cu 0.27016 0.26954 0.53929 1.00000
Cu3 Cu 0.72979 0.73051 0.46073 1.00000
Cu4 Cu 0.90896 0.90804 0.81558 1.00000
Rh1 Rh 0.63840 0.63875 0.27826 1.00000
Rh2 Rh 0.36157 0.36127 0.72173 1.00000
Rh3 Rh 0.00001 0.00002 0.00001 1.00000
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