TmSbHRu3
Alexandria ALEXAlex-ID: agm006830270 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_55_spg15
Tm2H4Ru Tm4Sb6Ru7 TmH5Ru Ru
2024-07-10 00:58:52.559136
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006830270).
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 agm006830270
data_agm006830270
_cell_length_a 6.51263
_cell_length_b 6.51263
_cell_length_c 5.67384
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 126.35851
_cell_volume 193.80275
_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
Tm1 Tm 0.23637 0.76363 0.25000 1.00000
Tm2 Tm 0.76363 0.23637 0.75000 1.00000
Sb1 Sb 0.36674 0.63326 0.75000 1.00000
Sb2 Sb 0.63326 0.36674 0.25000 1.00000
H1 H 0.97232 0.02768 0.75000 1.00000
H2 H 0.02768 0.97232 0.25000 1.00000
Ru1 Ru 0.14968 0.85032 0.75000 1.00000
Ru2 Ru 0.23410 0.23410 0.00000 1.00000
Ru3 Ru 0.76590 0.76590 0.50000 1.00000
Ru4 Ru 0.23410 0.23410 0.50000 1.00000
Ru5 Ru 0.76590 0.76590 0.00000 1.00000
Ru6 Ru 0.85032 0.14968 0.25000 1.00000
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