Y8TaH4
Alexandria ALEXAlex-ID: agm098040142 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_853_spg1
Y Ta YH2
2025-06-16 00:43:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098040142).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm098040142
data_agm098040142
_cell_length_a 3.53218
_cell_length_b 9.42323
_cell_length_c 10.11956
_cell_angle_alpha 57.91527
_cell_angle_beta 100.00590
_cell_angle_gamma 100.76545
_cell_volume 279.23091
_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
Y1 Y 0.71803 0.05663 0.30199 1.00000
Y2 Y 0.87861 0.70358 0.97613 1.00000
Y3 Y 0.67908 0.65435 0.62825 1.00000
Y4 Y 0.01962 0.30608 0.65619 1.00000
Y5 Y 0.05350 0.74203 0.28806 1.00000
Y6 Y 0.38491 0.39647 0.29540 1.00000
Y7 Y 0.19293 0.32936 0.97940 1.00000
Y8 Y 0.35407 0.99067 0.64181 1.00000
Ta1 Ta 0.53538 0.03356 0.95964 1.00000
H1 H 0.00855 0.91358 0.02608 1.00000
H2 H 0.79217 0.37553 0.13095 1.00000
H3 H 0.10473 0.58111 0.55231 1.00000
H4 H 0.77844 0.91704 0.56379 1.00000
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