LiEr(H4Pd)2
Alexandria ALEXAlex-ID: agm007744693 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_186_spg1
ErH4Pd3 H4Pd LiH3Pd ErH3
2024-08-14 08:52:48.403969
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007744693).
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 agm007744693
data_agm007744693
_cell_length_a 4.55917
_cell_length_b 4.93929
_cell_length_c 6.40616
_cell_angle_alpha 67.71351
_cell_angle_beta 72.20296
_cell_angle_gamma 60.97355
_cell_volume 115.39157
_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
Li1 Li 0.02433 0.03693 0.89737 1.00000
Er1 Er 0.42117 0.65005 0.50105 1.00000
H1 H 0.88687 0.74368 0.47510 1.00000
H2 H 0.44104 0.07267 0.83544 1.00000
H3 H 0.12000 0.09404 0.57770 1.00000
H4 H 0.04825 0.66405 0.84668 1.00000
H5 H 0.95620 0.30295 0.17220 1.00000
H6 H 0.65460 0.45370 0.84070 1.00000
H7 H 0.31968 0.56192 0.17253 1.00000
H8 H 0.62624 0.93491 0.15742 1.00000
Pd1 Pd 0.65721 0.66879 0.01621 1.00000
Pd2 Pd 0.34440 0.31632 0.00759 1.00000
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