Er2H5Ir
Alexandria ALEXAlex-ID: agm002280368 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_25_spg107
ErH3Ir ErH2
2018-12-31 12:37:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002280368).
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 agm002280368
data_agm002280368
_cell_length_a 4.88112
_cell_length_b 5.01857
_cell_length_c 4.88104
_cell_angle_alpha 119.09865
_cell_angle_beta 90.00126
_cell_angle_gamma 119.09897
_cell_volume 86.79805
_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 0.73965 0.98190 0.24228 1.00000
H2 H 0.24227 0.98189 0.24227 1.00000
H3 H 0.73965 0.98193 0.73965 1.00000
H4 H 0.24227 0.98191 0.73964 1.00000
H5 H 0.25146 0.50288 0.25146 1.00000
Ir1 Ir 0.00284 0.00567 0.00284 1.00000
Er1 Er 0.75239 0.50474 0.25238 1.00000
Er2 Er 0.25238 0.50474 0.75239 1.00000
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