TmAl2NiH8
Alexandria ALEXAlex-ID: agm007227044 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1296_spg2
Al4Ni3 AlH9 AlH3 TmH3
2024-03-05 20:43:44.243242
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007227044).
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 agm007227044
data_agm007227044
_cell_length_a 4.07060
_cell_length_b 5.83121
_cell_length_c 5.96787
_cell_angle_alpha 115.46989
_cell_angle_beta 90.30693
_cell_angle_gamma 110.15194
_cell_volume 118.07431
_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 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.38354 0.76687 0.78592 1.00000
Al2 Al 0.61646 0.23313 0.21408 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
H1 H 0.12017 0.24248 0.27928 1.00000
H2 H 0.09930 0.22916 0.91454 1.00000
H3 H 0.77921 0.55883 0.29207 1.00000
H4 H 0.87983 0.75752 0.72072 1.00000
H5 H 0.90070 0.77084 0.08546 1.00000
H6 H 0.22079 0.44117 0.70793 1.00000
H7 H 0.59349 0.18885 0.48195 1.00000
H8 H 0.40651 0.81115 0.51805 1.00000
Get direct link