ErH5I3
Alexandria ALEXAlex-ID: agm072212802 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1180_spg1
H9I ErH2I3 ErH3
2024-09-24 12:59:09.539692
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072212802).
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 agm072212802
data_agm072212802
_cell_length_a 4.33020
_cell_length_b 6.17143
_cell_length_c 8.97743
_cell_angle_alpha 83.56606
_cell_angle_beta 102.48769
_cell_angle_gamma 90.00222
_cell_volume 232.68524
_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 0.08948 0.93867 0.34219 1.00000
H1 H 0.01602 0.70601 0.18554 1.00000
H2 H 0.60737 0.42525 0.79804 1.00000
H3 H 0.14349 0.54716 0.89671 1.00000
H4 H 0.21794 0.63352 0.94466 1.00000
H5 H 0.63937 0.33312 0.75493 1.00000
I1 I 0.48372 0.04577 0.10655 1.00000
I2 I 0.10417 0.44595 0.38598 1.00000
I3 I 0.69844 0.92454 0.58539 1.00000
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