Tm2(H3I)3
Alexandria ALEXAlex-ID: agm006200972 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_196_spg12
H9I TmH2I3 TmH3
2024-02-06 19:44:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200972).
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 agm006200972
data_agm006200972
_cell_length_a 5.72496
_cell_length_b 5.73315
_cell_length_c 7.14002
_cell_angle_alpha 90.12881
_cell_angle_beta 90.02544
_cell_angle_gamma 119.96781
_cell_volume 203.01803
_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 0.33264 0.66557 0.80825 1.00000
Tm2 Tm 0.66736 0.33443 0.19175 1.00000
I1 I 0.33316 0.66640 0.37397 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.66684 0.33360 0.62603 1.00000
H1 H 0.88351 0.76686 0.21467 1.00000
H2 H 0.88333 0.11766 0.21486 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.11667 0.88234 0.78514 1.00000
H5 H 0.76543 0.88231 0.78510 1.00000
H6 H 0.23457 0.11769 0.21490 1.00000
H7 H 0.11649 0.23314 0.78533 1.00000
H8 H 1.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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