ThAg2H7
Alexandria ALEXAlex-ID: agm006200550 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_581_spg2
Th4H15 H2 Ag
2025-06-11 21:23:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200550).
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 agm006200550
data_agm006200550
_cell_length_a 3.99969
_cell_length_b 4.56486
_cell_length_c 5.69418
_cell_angle_alpha 103.72288
_cell_angle_beta 97.81626
_cell_angle_gamma 94.61867
_cell_volume 99.36886
_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
Th1 Th 0.56470 0.61739 0.07242 1.00000
Ag1 Ag 0.27608 0.26085 0.45175 1.00000
Ag2 Ag 0.85224 0.97413 0.69403 1.00000
H1 H 0.54722 0.15996 0.22069 1.00000
H2 H 0.58194 0.07567 0.92542 1.00000
H3 H 0.02550 0.87903 0.39702 1.00000
H4 H 0.06129 0.78655 0.96115 1.00000
H5 H 0.06833 0.44871 0.18458 1.00000
H6 H 0.56395 0.61716 0.57669 1.00000
H7 H 0.10194 0.35555 0.74863 1.00000
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