ErCo2H7Rh2
Alexandria ALEXAlex-ID: agm006459486 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_89_spg8
ErH6Rh Er(H2Rh)3 Co H8Rh3
2024-02-28 23:55:34.965913
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006459486).
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 agm006459486
data_agm006459486
_cell_length_a 7.59108
_cell_length_b 7.59108
_cell_length_c 7.59108
_cell_angle_alpha 151.83004
_cell_angle_beta 151.57247
_cell_angle_gamma 40.45012
_cell_volume 98.10821
_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 0.99802 0.00000 0.99802 1.00000
Co1 Co 0.26605 0.74971 0.51634 1.00000
Co2 Co 0.76663 0.25029 0.51634 1.00000
H1 H 0.13052 0.62213 0.50838 1.00000
H2 H 0.27624 0.25658 0.01966 1.00000
H3 H 0.39765 0.88292 0.51473 1.00000
H4 H 0.88625 0.37787 0.50838 1.00000
H5 H 0.76308 0.74342 0.01966 1.00000
H6 H 0.63180 0.11708 0.51473 1.00000
H7 H 0.34523 0.50000 0.84523 1.00000
Rh1 Rh 0.62890 0.60980 0.01911 1.00000
Rh2 Rh 0.40931 0.39020 0.01911 1.00000
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