Tm5ZrRh6
Alexandria ALEXAlex-ID: agm006114791 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
ZrRh TmRh
2023-09-13 11:49:46.099717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114791).
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 agm006114791
data_agm006114791
_cell_length_a 4.69611
_cell_length_b 6.90331
_cell_length_c 7.44397
_cell_angle_alpha 90.00000
_cell_angle_beta 71.61321
_cell_angle_gamma 89.99999
_cell_volume 229.00348
_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 0.66650 0.50000 0.66699 1.00000
Tm2 Tm 0.33263 0.00000 0.33473 1.00000
Tm3 Tm 0.00000 0.50000 0.00000 1.00000
Tm4 Tm 0.66737 1.00000 0.66527 1.00000
Tm5 Tm 0.33350 0.50000 0.33301 1.00000
Rh1 Rh 0.83743 0.75387 0.32514 1.00000
Rh2 Rh 0.83743 0.24613 0.32514 1.00000
Rh3 Rh 0.50000 0.23856 1.00000 1.00000
Rh4 Rh 0.50000 0.76144 0.00000 1.00000
Rh5 Rh 0.16257 0.75387 0.67486 1.00000
Rh6 Rh 0.16257 0.24613 0.67486 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
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