NdEr(H3Ru)2
Alexandria ALEXAlex-ID: agm007709558 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_420_spg15
Nd3ErH8 NdH5Ru ErH2 Ru
2024-03-16 00:11:35.662368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007709558).
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 agm007709558
data_agm007709558
_cell_length_a 6.08131
_cell_length_b 6.08131
_cell_length_c 5.94824
_cell_angle_alpha 79.27787
_cell_angle_beta 79.27787
_cell_angle_gamma 99.36272
_cell_volume 207.88333
_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
Nd1 Nd 0.84372 0.15628 0.75000 1.00000
Nd2 Nd 0.15628 0.84372 0.25000 1.00000
Er1 Er 0.39619 0.60381 0.75000 1.00000
Er2 Er 0.60381 0.39619 0.25000 1.00000
H1 H 0.44292 0.93499 0.87457 1.00000
H2 H 0.06501 0.55708 0.62543 1.00000
H3 H 0.55708 0.06501 0.12543 1.00000
H4 H 0.93499 0.44292 0.37457 1.00000
H5 H 0.19585 0.20150 0.92610 1.00000
H6 H 0.79850 0.80415 0.57390 1.00000
H7 H 0.80415 0.79850 0.07390 1.00000
H8 H 0.20150 0.19585 0.42610 1.00000
H9 H 0.54003 0.31821 0.62859 1.00000
H10 H 0.68179 0.45997 0.87141 1.00000
H11 H 0.45997 0.68179 0.37141 1.00000
H12 H 0.31821 0.54003 0.12859 1.00000
Ru1 Ru 0.08105 0.32739 0.17781 1.00000
Ru2 Ru 0.67261 0.91895 0.32219 1.00000
Ru3 Ru 0.91895 0.67261 0.82219 1.00000
Ru4 Ru 0.32739 0.08105 0.67781 1.00000
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