ErCu(H4Ir)2
Alexandria ALEXAlex-ID: agm004875771 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_697_spg12
CuH6Ir ErH6Ir Ir Cu
2023-01-01 22:27:18.314996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875771).
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 agm004875771
data_agm004875771
_cell_length_a 4.39181
_cell_length_b 4.61859
_cell_length_c 6.09760
_cell_angle_alpha 66.34748
_cell_angle_beta 68.89204
_cell_angle_gamma 61.61140
_cell_volume 97.44264
_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 0.50000 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.92912 0.48053 0.66123 1.00000
H2 H 0.75726 0.38224 0.10325 1.00000
H3 H 0.07088 0.51947 0.33877 1.00000
H4 H 0.24274 0.61776 0.89675 1.00000
H5 H 0.58486 0.01485 0.32114 1.00000
H6 H 0.41514 0.98515 0.67886 1.00000
H7 H 0.07914 0.01485 0.32114 1.00000
H8 H 0.92086 0.98515 0.67886 1.00000
Ir1 Ir 0.28889 0.26995 0.15227 1.00000
Ir2 Ir 0.71111 0.73005 0.84773 1.00000
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