Tm3I7F2
Alexandria ALEXAlex-ID: agm101806907 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_1000_spg1
TmI3 TmF3
2025-05-18 20:33:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101806907).
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 agm101806907
data_agm101806907
_cell_length_a 7.76472
_cell_length_b 8.57747
_cell_length_c 10.76214
_cell_angle_alpha 81.53614
_cell_angle_beta 71.00176
_cell_angle_gamma 61.26400
_cell_volume 594.22871
_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
Tm1 Tm 0.99827 0.04813 0.99941 1.00000
Tm2 Tm 0.14112 0.03878 0.65413 1.00000
Tm3 Tm 0.91789 0.02045 0.33938 1.00000
I1 I 0.92027 0.30434 0.47237 1.00000
I2 I 0.58097 0.95991 0.54018 1.00000
I3 I 0.73933 0.05901 0.83863 1.00000
I4 I 0.05146 0.34078 0.82355 1.00000
I5 I 0.21379 0.75311 0.48331 1.00000
I6 I 0.61094 0.28828 0.20439 1.00000
I7 I 0.98780 0.73447 0.16404 1.00000
F1 F 0.11385 0.05064 0.15512 1.00000
F2 F 0.22432 0.90211 0.82548 1.00000
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