CeMg(H3Pd)2
Alexandria ALEXAlex-ID: agm007707693 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_417_spg15
CeH3 MgH6 CeH4Pd Mg(HPd)2
2024-03-15 23:10:54.359032
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007707693).
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 agm007707693
data_agm007707693
_cell_length_a 6.16777
_cell_length_b 6.16777
_cell_length_c 6.60605
_cell_angle_alpha 114.01451
_cell_angle_beta 114.01451
_cell_angle_gamma 89.60796
_cell_volume 205.85030
_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 0.35509 0.64491 0.75000 1.00000
Ce2 Ce 0.64491 0.35509 0.25000 1.00000
Mg1 Mg 0.75127 0.24873 0.75000 1.00000
Mg2 Mg 0.24873 0.75127 0.25000 1.00000
H1 H 0.48032 0.07795 0.80947 1.00000
H2 H 0.92205 0.51968 0.69053 1.00000
H3 H 0.51968 0.92205 0.19053 1.00000
H4 H 0.07795 0.48032 0.30947 1.00000
H5 H 0.19544 0.04086 0.97675 1.00000
H6 H 0.95914 0.80456 0.52325 1.00000
H7 H 0.80456 0.95914 0.02325 1.00000
H8 H 0.04086 0.19544 0.47675 1.00000
H9 H 0.46348 0.30244 0.48703 1.00000
H10 H 0.69756 0.53652 0.01297 1.00000
H11 H 0.53652 0.69756 0.51297 1.00000
H12 H 0.30244 0.46348 0.98703 1.00000
Pd1 Pd 0.13276 0.18610 0.24375 1.00000
Pd2 Pd 0.81390 0.86724 0.25625 1.00000
Pd3 Pd 0.86724 0.81390 0.75625 1.00000
Pd4 Pd 0.18610 0.13276 0.74375 1.00000
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