ErSb2H7
Alexandria ALEXAlex-ID: agm006205293 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_881_spg1
SbH3 ErH3 Sb
2024-02-01 13:00:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205293).
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
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# CIF generated by HEAS from Alexandria entry agm006205293
data_agm006205293
_cell_length_a 4.43893
_cell_length_b 4.22341
_cell_length_c 7.42963
_cell_angle_alpha 86.72677
_cell_angle_beta 75.26494
_cell_angle_gamma 92.50556
_cell_volume 134.24107
_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
H1 H 0.09783 0.37664 0.22378 1.00000
H2 H 0.81181 0.50023 0.79998 1.00000
H3 H 0.82236 0.96145 0.71378 1.00000
H4 H 0.78408 0.92040 0.28706 1.00000
H5 H 0.22308 0.73984 0.44214 1.00000
H6 H 0.44072 0.90068 0.08483 1.00000
H7 H 0.04274 0.65909 0.94534 1.00000
Sb1 Sb 0.57189 0.26452 0.69609 1.00000
Sb2 Sb 0.48492 0.58536 0.25976 1.00000
Er1 Er 0.95297 0.14918 0.01540 1.00000
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