Er5Sb5H2
Alexandria ALEXAlex-ID: agm003374075 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_63_spg12
ErSb ErH3 Sb
2022-02-08 18:01:19.643810
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374075).
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 agm003374075
data_agm003374075
_cell_length_a 4.37180
_cell_length_b 8.09716
_cell_length_c 10.72609
_cell_angle_alpha 119.60345
_cell_angle_beta 90.00000
_cell_angle_gamma 105.66181
_cell_volume 313.81468
_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 0.09464 0.18928 0.40657 1.00000
Er2 Er 0.71660 0.43321 0.78809 1.00000
Er3 Er 0.28340 0.56679 0.21191 1.00000
Er4 Er 0.90536 0.81072 0.59343 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.00000 0.50000 1.00000
Sb2 Sb 0.63849 0.27699 0.99696 1.00000
Sb3 Sb 0.69355 0.38710 0.31835 1.00000
Sb4 Sb 0.30645 0.61290 0.68165 1.00000
Sb5 Sb 0.36151 0.72301 0.00304 1.00000
H1 H 0.00401 0.00802 0.80753 1.00000
H2 H 0.99599 0.99198 0.19247 1.00000
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