YMn(H4Pd)2
Alexandria ALEXAlex-ID: agm007306433 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_25_spg164
YH4Pd3 MnH2 H4Pd YH3
2025-05-28 05:10:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306433).
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 agm007306433
data_agm007306433
_cell_length_a 4.20981
_cell_length_b 4.57085
_cell_length_c 6.18584
_cell_angle_alpha 83.51446
_cell_angle_beta 84.49559
_cell_angle_gamma 64.60465
_cell_volume 106.69092
_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
Y1 Y 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
H1 H 0.93256 0.75744 0.21877 1.00000
H2 H 0.75411 0.39073 0.10287 1.00000
H3 H 0.29490 0.01276 0.16730 1.00000
H4 H 0.06744 0.24256 0.78123 1.00000
H5 H 0.24589 0.60927 0.89713 1.00000
H6 H 0.70510 0.98724 0.83270 1.00000
H7 H 0.62577 0.70662 0.54201 1.00000
H8 H 0.37423 0.29338 0.45799 1.00000
Pd1 Pd 0.66668 0.60853 0.81315 1.00000
Pd2 Pd 0.33332 0.39147 0.18685 1.00000
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