TmAg2H7
Alexandria ALEXAlex-ID: agm006200516 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_768_spg2
TmH3 H2 Ag
2023-10-15 13:06:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200516).
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
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# CIF generated by HEAS from Alexandria entry agm006200516
data_agm006200516
_cell_length_a 6.92112
_cell_length_b 7.08289
_cell_length_c 6.44277
_cell_angle_alpha 144.05853
_cell_angle_beta 32.77635
_cell_angle_gamma 130.05534
_cell_volume 99.66870
_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
H1 H 0.08212 0.85884 0.26279 1.00000
H2 H 0.86435 0.85261 0.73081 1.00000
H3 H 0.50714 0.40870 0.67515 1.00000
H4 H 0.14234 0.32938 0.16480 1.00000
H5 H 0.47318 0.85589 0.49693 1.00000
H6 H 0.43936 0.30272 0.31844 1.00000
H7 H 0.80411 0.38214 0.82890 1.00000
Tm1 Tm 0.97324 0.35570 0.99679 1.00000
Ag1 Ag 0.17411 0.07163 0.13501 1.00000
Ag2 Ag 0.77244 0.63977 0.85856 1.00000
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