TaAl2H8Se
Alexandria ALEXAlex-ID: agm007489995 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_40_spg2
TaH2 TaHSe2 AlH5Se AlH3
2025-05-27 06:31:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007489995).
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 agm007489995
data_agm007489995
_cell_length_a 4.80356
_cell_length_b 4.07783
_cell_length_c 7.19648
_cell_angle_alpha 98.80537
_cell_angle_beta 90.75554
_cell_angle_gamma 108.84074
_cell_volume 131.54411
_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
Ta1 Ta 0.91261 0.01568 0.99709 1.00000
Al1 Al 0.60535 0.35548 0.81447 1.00000
Al2 Al 0.37352 0.75997 0.27961 1.00000
H1 H 0.63671 0.21859 0.04690 1.00000
H2 H 0.21872 0.91838 0.11377 1.00000
H3 H 0.53986 0.74186 0.91492 1.00000
H4 H 0.08964 0.38285 0.20545 1.00000
H5 H 0.95505 0.71323 0.79415 1.00000
H6 H 0.71460 0.80426 0.20236 1.00000
H7 H 0.24117 0.22704 0.87674 1.00000
H8 H 0.80391 0.06948 0.76082 1.00000
Se1 Se 0.40885 0.29318 0.49372 1.00000
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