TiH4RuRh2
Alexandria ALEXAlex-ID: agm007102468 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_39_spg82
TiH2 TiH4Ru3 H8Rh3 TiHRh3
2024-03-26 04:05:16.941290
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007102468).
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 agm007102468
data_agm007102468
_cell_length_a 4.96902
_cell_length_b 4.02863
_cell_length_c 4.02880
_cell_angle_alpha 89.98778
_cell_angle_beta 113.91282
_cell_angle_gamma 113.91265
_cell_volume 66.08666
_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 0.97502 0.08288 0.23210 1.00000
H1 H 0.03108 0.61100 0.25984 1.00000
H2 H 0.45162 0.82127 0.96996 1.00000
H3 H 0.49835 0.34515 0.49417 1.00000
H4 H 0.91880 0.05471 0.70392 1.00000
Ru1 Ru 0.47497 0.83293 0.48197 1.00000
Rh1 Rh 0.97502 0.58291 0.73189 1.00000
Rh2 Rh 0.47507 0.33288 0.98208 1.00000
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