TmCd(H3Au)2
Alexandria ALEXAlex-ID: agm007955331 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_727_spg15
Cd2Au3 TmH3 H6Au
2024-10-22 08:38:27.167838
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007955331).
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 agm007955331
data_agm007955331
_cell_length_a 6.37701
_cell_length_b 6.37701
_cell_length_c 6.10555
_cell_angle_alpha 93.38688
_cell_angle_beta 93.38688
_cell_angle_gamma 82.77321
_cell_volume 245.55260
_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 0.32653 0.67347 0.25000 1.00000
Tm2 Tm 0.67347 0.32653 0.75000 1.00000
Cd1 Cd 0.83360 0.16640 0.25000 1.00000
Cd2 Cd 0.16640 0.83360 0.75000 1.00000
H1 H 0.01030 0.83466 0.16792 1.00000
H2 H 0.16534 0.98970 0.33208 1.00000
H3 H 0.98970 0.16534 0.83208 1.00000
H4 H 0.83466 0.01030 0.66792 1.00000
H5 H 0.87218 0.33687 0.49129 1.00000
H6 H 0.66313 0.12782 0.00871 1.00000
H7 H 0.12782 0.66313 0.50871 1.00000
H8 H 0.33687 0.87218 0.99129 1.00000
H9 H 0.61555 0.54225 0.05808 1.00000
H10 H 0.45775 0.38445 0.44192 1.00000
H11 H 0.38445 0.45775 0.94192 1.00000
H12 H 0.54225 0.61555 0.55808 1.00000
Au1 Au 0.66159 0.83794 0.59226 1.00000
Au2 Au 0.16206 0.33841 0.90774 1.00000
Au3 Au 0.33841 0.16206 0.40774 1.00000
Au4 Au 0.83794 0.66159 0.09226 1.00000
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