Er(H3Ru)2
Alexandria ALEXAlex-ID: agm005809248 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2581_spg12
H8Ru3 ErH5Ru Ru
2023-07-07 09:22:51.266503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809248).
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 agm005809248
data_agm005809248
_cell_length_a 4.16691
_cell_length_b 4.16691
_cell_length_c 4.94252
_cell_angle_alpha 105.40857
_cell_angle_beta 105.40858
_cell_angle_gamma 93.13967
_cell_volume 79.03030
_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 0.00000 0.00000 1.00000
H1 H 0.01384 0.12308 0.72650 1.00000
H2 H 0.37692 0.48616 0.27350 1.00000
H3 H 0.98616 0.87692 0.27350 1.00000
H4 H 0.62308 0.51384 0.72650 1.00000
H5 H 0.08429 0.58429 0.70296 1.00000
H6 H 0.91571 0.41571 0.29704 1.00000
Ru1 Ru 0.24835 0.25165 0.50000 1.00000
Ru2 Ru 0.75165 0.74835 0.50000 1.00000
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