La3Mg7Pd4
Alexandria ALEXAlex-ID: agm005704429 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_55_spg12
LaMg2Pd MgPd
2023-06-29 17:09:11.267183
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704429).
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 agm005704429
data_agm005704429
_cell_length_a 4.43701
_cell_length_b 8.51261
_cell_length_c 9.38864
_cell_angle_alpha 71.72087
_cell_angle_beta 76.33191
_cell_angle_gamma 74.89349
_cell_volume 320.43045
_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
La1 La 0.30447 0.17979 0.21126 1.00000
La2 La 0.69553 0.82021 0.78874 1.00000
La3 La 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.32117 0.84482 0.51284 1.00000
Mg2 Mg 0.48676 0.22837 0.79811 1.00000
Mg3 Mg 0.83333 0.40241 0.93093 1.00000
Mg4 Mg 0.67883 0.15518 0.48716 1.00000
Mg5 Mg 0.16667 0.59759 0.06907 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.51324 0.77163 0.20189 1.00000
Pd1 Pd 0.66459 0.43575 0.23507 1.00000
Pd2 Pd 0.33541 0.56425 0.76493 1.00000
Pd3 Pd 0.89033 0.89503 0.32430 1.00000
Pd4 Pd 0.10967 0.10497 0.67570 1.00000
Get direct link