Tm3H9I2
Alexandria ALEXAlex-ID: agm006200975 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_734_spg1
H9I TmH2I3 TmH3
2024-02-02 01:57:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200975).
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 agm006200975
data_agm006200975
_cell_length_a 3.67869
_cell_length_b 15.75146
_cell_length_c 9.96093
_cell_angle_alpha 157.72129
_cell_angle_beta 100.37263
_cell_angle_gamma 83.62319
_cell_volume 212.84064
_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
I1 I 0.63110 0.69823 0.82136 1.00000
I2 I 0.37879 0.11531 0.72936 1.00000
Tm1 Tm 0.40498 0.74879 0.40533 1.00000
Tm2 Tm 0.08584 0.92539 0.95073 1.00000
Tm3 Tm 0.79034 0.24174 0.67488 1.00000
H1 H 0.98240 0.95071 0.75903 1.00000
H2 H 0.03442 0.31254 0.46058 1.00000
H3 H 0.66015 0.13641 0.30662 1.00000
H4 H 0.93339 0.60475 0.32294 1.00000
H5 H 0.52353 0.84976 0.74845 1.00000
H6 H 0.20100 0.30408 0.41309 1.00000
H7 H 0.22008 0.11604 0.40850 1.00000
H8 H 0.81831 0.57932 0.06022 1.00000
H9 H 0.33567 0.41693 0.93892 1.00000
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