ErSc(AlH4)2
Alexandria ALEXAlex-ID: agm007190891 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_323_spg148
ScH3 ErH3 Al AlH3
2025-04-29 17:58:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007190891).
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 agm007190891
data_agm007190891
_cell_length_a 4.15081
_cell_length_b 4.15511
_cell_length_c 7.49813
_cell_angle_alpha 73.91641
_cell_angle_beta 73.94115
_cell_angle_gamma 60.03422
_cell_volume 106.15328
_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 0.50000 0.50000 0.50000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.73491 0.73407 0.79605 1.00000
Al2 Al 0.26509 0.26593 0.20395 1.00000
H1 H 0.81826 0.81824 0.54525 1.00000
H2 H 0.30166 0.19183 0.75711 1.00000
H3 H 0.18174 0.18176 0.45475 1.00000
H4 H 0.19260 0.75026 0.75681 1.00000
H5 H 0.80740 0.24974 0.24319 1.00000
H6 H 0.75073 0.30084 0.75672 1.00000
H7 H 0.24927 0.69916 0.24328 1.00000
H8 H 0.69834 0.80817 0.24289 1.00000
Get direct link