MnGePd3
Alexandria ALEXAlex-ID: agm005906014 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5298_spg14
Mn2GePd5 GePd2 Mn
2023-07-04 18:11:21.897439
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005906014).
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 agm005906014
data_agm005906014
_cell_length_a 6.72628
_cell_length_b 7.18478
_cell_length_c 6.72628
_cell_angle_alpha 90.03072
_cell_angle_beta 74.27403
_cell_angle_gamma 89.96928
_cell_volume 312.89303
_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 0.30310 0.89710 0.80326 1.00000
Mn2 Mn 0.80326 0.60290 0.30310 1.00000
Mn3 Mn 0.69690 0.10290 0.19674 1.00000
Mn4 Mn 0.19674 0.39710 0.69690 1.00000
Ge1 Ge 0.07591 0.25000 0.07591 1.00000
Ge2 Ge 0.92409 0.75000 0.92409 1.00000
Ge3 Ge 0.57619 0.25000 0.57619 1.00000
Ge4 Ge 0.42381 0.75000 0.42381 1.00000
Pd1 Pd 0.20047 0.57320 0.06037 1.00000
Pd2 Pd 0.06037 0.92680 0.20047 1.00000
Pd3 Pd 0.79953 0.42680 0.93963 1.00000
Pd4 Pd 0.93963 0.07320 0.79953 1.00000
Pd5 Pd 0.54713 0.80460 0.04701 1.00000
Pd6 Pd 0.04701 0.69540 0.54713 1.00000
Pd7 Pd 0.45287 0.19540 0.95299 1.00000
Pd8 Pd 0.95299 0.30460 0.45287 1.00000
Pd9 Pd 0.56008 0.57338 0.70020 1.00000
Pd10 Pd 0.70020 0.92662 0.56008 1.00000
Pd11 Pd 0.43992 0.42662 0.29980 1.00000
Pd12 Pd 0.29980 0.07338 0.43992 1.00000
