MnIn2H6Pd
Alexandria ALEXAlex-ID: agm007180218 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_591_spg12
MnH2 In3Pd2 InH10 In7Pd3
2024-01-28 02:56:06.975413
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007180218).
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 agm007180218
data_agm007180218
_cell_length_a 4.21473
_cell_length_b 4.24643
_cell_length_c 6.43690
_cell_angle_alpha 89.98484
_cell_angle_beta 79.48905
_cell_angle_gamma 89.94834
_cell_volume 113.27162
_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 0.00000 0.00000 1.00000
In1 In 0.83380 0.49932 0.32525 1.00000
In2 In 0.16620 0.50068 0.67475 1.00000
H1 H 0.26107 0.19649 0.12969 1.00000
H2 H 0.73939 0.19675 0.87003 1.00000
H3 H 0.73893 0.80351 0.87031 1.00000
H4 H 0.18335 0.00078 0.74553 1.00000
H5 H 0.26061 0.80325 0.12997 1.00000
H6 H 0.81665 0.99922 0.25447 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Get direct link