NaGe3Pd
Alexandria ALEXAlex-ID: agm005776969 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
GePd NaGe Ge
2023-07-04 19:12:45.480883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776969).
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
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# CIF generated by HEAS from Alexandria entry agm005776969
data_agm005776969
_cell_length_a 4.31228
_cell_length_b 4.31228
_cell_length_c 6.25289
_cell_angle_alpha 110.17102
_cell_angle_beta 110.17096
_cell_angle_gamma 90.00000
_cell_volume 101.51445
_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
Na1 Na 0.02093 0.02093 0.04185 1.00000
Ge1 Ge 0.26175 0.76175 0.52350 1.00000
Ge2 Ge 0.76175 0.26175 0.52350 1.00000
Ge3 Ge 0.40889 0.40889 0.81777 1.00000
Pd1 Pd 0.63694 0.63694 0.27388 1.00000
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