Ti6HRh2N
Alexandria ALEXAlex-ID: agm007258941 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_438_spg1
Ti3RhN Ti2Rh Ti2N Ti3H3N
2024-06-27 06:50:40.030717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007258941).
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
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# CIF generated by HEAS from Alexandria entry agm007258941
data_agm007258941
_cell_length_a 5.76066
_cell_length_b 5.76066
_cell_length_c 5.76066
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 135.17675
_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 0.74847 0.74847 0.25153 1.00000
Ti2 Ti 0.74847 0.25153 0.25153 1.00000
Ti3 Ti 0.74847 0.25153 0.74847 1.00000
Ti4 Ti 0.25153 0.74847 0.25153 1.00000
Ti5 Ti 0.25153 0.74847 0.74847 1.00000
Ti6 Ti 0.25153 0.25153 0.74847 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.75000 0.75000 0.75000 1.00000
Rh2 Rh 0.25000 0.25000 0.25000 1.00000
N1 N 0.50000 0.50000 0.50000 1.00000
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