Mn3H2Pd3
Alexandria ALEXAlex-ID: agm007257310 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_184_spg12
MnHPd3 Mn3Pd5 Mn4H3
2024-03-05 07:58:34.199934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007257310).
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 agm007257310
data_agm007257310
_cell_length_a 2.94964
_cell_length_b 4.77696
_cell_length_c 6.98238
_cell_angle_alpha 83.46701
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 97.74499
_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
Mn1 Mn 0.00000 0.51767 0.87669 1.00000
Mn2 Mn 0.00000 0.89126 0.17799 1.00000
Mn3 Mn 0.00000 0.17741 0.52856 1.00000
H1 H 0.00000 0.51909 0.61793 1.00000
H2 H 0.50000 0.70186 0.27088 1.00000
Pd1 Pd 0.50000 0.35535 0.19545 1.00000
Pd2 Pd 0.50000 0.70762 0.53056 1.00000
Pd3 Pd 0.50000 0.02724 0.85759 1.00000
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