CeNd(H3Au)2
Alexandria ALEXAlex-ID: agm007685281 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2312_spg2
Nd14Au51 NdH3 CeH3 H6Au
2025-04-29 17:45:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007685281).
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 agm007685281
data_agm007685281
_cell_length_a 3.84142
_cell_length_b 5.30266
_cell_length_c 8.47731
_cell_angle_alpha 52.56853
_cell_angle_beta 78.09570
_cell_angle_gamma 71.12737
_cell_volume 129.74018
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
H1 H 0.12436 0.08838 0.68326 1.00000
H2 H 0.89161 0.52515 0.68685 1.00000
H3 H 0.49289 0.84738 0.16429 1.00000
H4 H 0.87564 0.91162 0.31674 1.00000
H5 H 0.10839 0.47485 0.31315 1.00000
H6 H 0.50711 0.15262 0.83571 1.00000
Au1 Au 0.50697 0.71444 0.78360 1.00000
Au2 Au 0.49303 0.28556 0.21640 1.00000
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