ErCu5H7
Alexandria ALEXAlex-ID: agm007346170 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_74_spg1
CuH4 ErH3 Cu
2025-05-27 06:27:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007346170).
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 agm007346170
data_agm007346170
_cell_length_a 4.86439
_cell_length_b 5.32692
_cell_length_c 6.04289
_cell_angle_alpha 65.80315
_cell_angle_beta 66.28179
_cell_angle_gamma 55.61565
_cell_volume 114.79803
_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 0.95839 0.97504 0.20574 1.00000
Cu1 Cu 0.61254 0.12764 0.71596 1.00000
Cu2 Cu 0.16935 0.15121 0.54702 1.00000
Cu3 Cu 0.63123 0.58281 0.77085 1.00000
Cu4 Cu 0.64416 0.56094 0.34784 1.00000
Cu5 Cu 0.06745 0.56405 0.91662 1.00000
H1 H 0.04664 0.49571 0.23737 1.00000
H2 H 0.87230 0.77213 0.64024 1.00000
H3 H 0.29000 0.17420 0.95234 1.00000
H4 H 0.66768 0.50417 0.06736 1.00000
H5 H 0.18752 0.84196 0.83259 1.00000
H6 H 0.38523 0.93758 0.32192 1.00000
H7 H 0.46752 0.31257 0.44417 1.00000
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