ErCu2H8Rh
Alexandria ALEXAlex-ID: agm007406532 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_310_spg2
CuH4 ErH6Rh Cu
2024-03-16 03:09:01.796008
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007406532).
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 agm007406532
data_agm007406532
_cell_length_a 4.96729
_cell_length_b 4.75622
_cell_length_c 4.41390
_cell_angle_alpha 96.28036
_cell_angle_beta 82.31785
_cell_angle_gamma 90.98109
_cell_volume 102.72414
_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 0.00000 0.50000 1.00000
Cu1 Cu 0.26680 0.50054 0.93886 1.00000
Cu2 Cu 0.73320 0.49946 0.06114 1.00000
H1 H 0.86101 0.25476 0.27567 1.00000
H2 H 0.57114 0.43976 0.72585 1.00000
H3 H 0.13899 0.74524 0.72433 1.00000
H4 H 0.07420 0.23581 0.73460 1.00000
H5 H 0.92580 0.76419 0.26540 1.00000
H6 H 0.69737 0.90709 0.90165 1.00000
H7 H 0.30263 0.09291 0.09835 1.00000
H8 H 0.42886 0.56024 0.27415 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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