TaAl2CdH8
Alexandria ALEXAlex-ID: agm007621207 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
TaH2 AlH3 TaAl3 CdH4
2024-02-09 06:32:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007621207).
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 agm007621207
data_agm007621207
_cell_length_a 4.73560
_cell_length_b 5.52991
_cell_length_c 5.22360
_cell_angle_alpha 115.45444
_cell_angle_beta 108.26709
_cell_angle_gamma 106.83867
_cell_volume 101.91452
_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 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.78208 0.32942 0.60494 1.00000
Al2 Al 0.21792 0.67058 0.39506 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.60706 0.67505 0.45063 1.00000
H2 H 0.73925 0.36477 0.26105 1.00000
H3 H 0.39294 0.32495 0.54937 1.00000
H4 H 0.48347 0.09115 0.75040 1.00000
H5 H 0.51653 0.90885 0.24960 1.00000
H6 H 0.04586 0.18454 0.68009 1.00000
H7 H 0.95414 0.81546 0.31991 1.00000
H8 H 0.26075 0.63523 0.73895 1.00000
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