Mn6V2HPd
Alexandria ALEXAlex-ID: agm007640693 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
Mn7Pd9 MnV Mn2H Mn
2025-04-29 19:08:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007640693).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007640693
data_agm007640693
_cell_length_a 4.35094
_cell_length_b 4.84432
_cell_length_c 6.43604
_cell_angle_alpha 70.54071
_cell_angle_beta 73.59907
_cell_angle_gamma 63.94921
_cell_volume 113.41942
_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 0.06587 0.26323 0.74587 1.00000
Mn2 Mn 0.45844 0.77002 0.06176 1.00000
Mn3 Mn 0.90802 0.29629 0.14585 1.00000
Mn4 Mn 0.09198 0.70371 0.85415 1.00000
Mn5 Mn 0.54156 0.22998 0.93824 1.00000
Mn6 Mn 0.93413 0.73677 0.25413 1.00000
V1 V 0.72078 0.87126 0.62595 1.00000
V2 V 0.27922 0.12874 0.37405 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Get direct link