TmH3
Alexandria ALEXAlex-ID: agm083085331 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1761_spg1
TmH3
2025-05-26 21:50:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm083085331).
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 agm083085331
data_agm083085331
_cell_length_a 3.44929
_cell_length_b 6.02463
_cell_length_c 8.13275
_cell_angle_alpha 100.62567
_cell_angle_beta 99.70245
_cell_angle_gamma 101.67344
_cell_volume 158.90739
_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 0.35230 0.33215 0.94310 1.00000
Tm2 Tm 0.18697 0.56257 0.36747 1.00000
Tm3 Tm 0.81303 0.93742 0.13253 1.00000
Tm4 Tm 0.64770 0.16786 0.55690 1.00000
H1 H 0.18125 0.10672 0.69745 1.00000
H2 H 0.34788 0.89908 0.29844 1.00000
H3 H 0.77472 0.06821 0.90044 1.00000
H4 H 0.22529 0.43178 0.59956 1.00000
H5 H 0.96290 0.32888 0.12420 1.00000
H6 H 0.64450 0.39854 0.40629 1.00000
H7 H 0.03709 0.17113 0.37580 1.00000
H8 H 0.35550 0.10149 0.09374 1.00000
H9 H 0.65210 0.60092 0.20155 1.00000
H10 H 0.81875 0.39327 0.80255 1.00000
H11 H 0.20948 0.69839 0.00800 1.00000
H12 H 0.79053 0.80161 0.49198 1.00000
Get direct link