Er(TaH4)2
Alexandria ALEXAlex-ID: agm006408933 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_3721_spg12
TaH5 ErH3 TaH2
2025-05-27 07:17:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006408933).
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 agm006408933
data_agm006408933
_cell_length_a 5.76150
_cell_length_b 5.76150
_cell_length_c 5.76150
_cell_angle_alpha 148.51514
_cell_angle_beta 125.76140
_cell_angle_gamma 64.07532
_cell_volume 80.20425
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Ta1 Ta 0.68159 0.68159 0.00000 1.00000
Ta2 Ta 0.31841 0.31841 0.00000 1.00000
H1 H 0.89309 0.16382 0.72927 1.00000
H2 H 0.56546 0.83618 0.72927 1.00000
H3 H 0.17816 0.67816 0.50000 1.00000
H4 H 0.30001 0.50000 0.80001 1.00000
H5 H 0.82184 0.32184 0.50000 1.00000
H6 H 0.43454 0.16382 0.27073 1.00000
H7 H 0.10691 0.83618 0.27073 1.00000
H8 H 0.69999 0.50000 0.19999 1.00000
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