KGd9Tm2
Alexandria ALEXAlex-ID: agm102005686 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_102_spg65
Gd3Tm Gd5Tm K
2025-05-19 21:05:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102005686).
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 agm102005686
data_agm102005686
_cell_length_a 11.53847
_cell_length_b 11.53847
_cell_length_c 3.55848
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.97453
_cell_volume 410.39554
_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
K1 K 0.00000 0.00000 0.00000 1.00000
Gd1 Gd 0.18594 0.81406 0.50000 1.00000
Gd2 Gd 0.00000 0.50000 0.00000 1.00000
Gd3 Gd 0.50000 0.50000 0.00000 1.00000
Gd4 Gd 0.18609 0.37209 0.50000 1.00000
Gd5 Gd 0.81406 0.18594 0.50000 1.00000
Gd6 Gd 0.37209 0.18609 0.50000 1.00000
Gd7 Gd 0.81391 0.62791 0.50000 1.00000
Gd8 Gd 0.50000 0.00000 0.00000 1.00000
Gd9 Gd 0.62791 0.81391 0.50000 1.00000
Tm1 Tm 0.33331 0.66669 0.00000 1.00000
Tm2 Tm 0.66669 0.33331 0.00000 1.00000
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