Gd2TmF9
Alexandria ALEXAlex-ID: agm101124385 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_487_spg147
TmF3 GdF3
2025-05-19 13:43:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101124385).
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 agm101124385
data_agm101124385
_cell_length_a 4.29646
_cell_length_b 6.86141
_cell_length_c 6.97417
_cell_angle_alpha 62.39382
_cell_angle_beta 90.75279
_cell_angle_gamma 87.68783
_cell_volume 181.92474
_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
Gd1 Gd 0.92537 0.67528 0.72618 1.00000
Gd2 Gd 0.93993 0.34148 0.40862 1.00000
Tm1 Tm 0.02737 0.04127 0.04265 1.00000
F1 F 0.42980 0.69748 0.80349 1.00000
F2 F 0.68075 0.58511 0.49406 1.00000
F3 F 0.91779 0.35729 0.06287 1.00000
F4 F 0.13657 0.34676 0.73110 1.00000
F5 F 0.44706 0.26320 0.39044 1.00000
F6 F 0.52496 0.03031 0.06067 1.00000
F7 F 0.04484 0.69017 0.14948 1.00000
F8 F 0.01523 0.96244 0.38820 1.00000
F9 F 0.91033 0.00921 0.74226 1.00000
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