MnSbPd4
Alexandria ALEXAlex-ID: agm005875554 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1110_spg12
Sb3Pd8 Mn3Pd5 Mn2SbPd5
2023-07-30 10:30:41.799343
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005875554).
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 agm005875554
data_agm005875554
_cell_length_a 3.87416
_cell_length_b 4.92357
_cell_length_c 6.42024
_cell_angle_alpha 105.42220
_cell_angle_beta 72.43938
_cell_angle_gamma 66.83192
_cell_volume 96.45381
_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
Sb1 Sb 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.82757 0.50619 0.83867 1.00000
Pd2 Pd 0.33440 0.00531 0.32590 1.00000
Pd3 Pd 0.17243 0.49381 0.16133 1.00000
Pd4 Pd 0.66560 0.99469 0.67410 1.00000
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