Ta2AgH7
Alexandria ALEXAlex-ID: agm006200320 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
TaH5 TaH2 Ag
2023-10-15 17:56:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200320).
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 agm006200320
data_agm006200320
_cell_length_a 4.98432
_cell_length_b 5.09028
_cell_length_c 5.28390
_cell_angle_alpha 122.85505
_cell_angle_beta 62.90673
_cell_angle_gamma 115.04443
_cell_volume 97.43579
_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 0.18668 0.76985 0.21089 1.00000
H2 H 0.75962 0.94377 0.78056 1.00000
H3 H 0.46227 0.56218 0.72070 1.00000
H4 H 0.95659 0.07982 0.24092 1.00000
H5 H 0.46461 0.84028 0.49480 1.00000
H6 H 0.48712 0.15385 0.27739 1.00000
H7 H 0.99062 0.63638 0.75713 1.00000
Ag1 Ag 0.97727 0.35421 0.98890 1.00000
Ta1 Ta 0.32574 0.95499 0.92376 1.00000
Ta2 Ta 0.62188 0.76207 0.07312 1.00000
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