Tm3BI3
Alexandria ALEXAlex-ID: agm044951902 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_119_spg176
Tm4BI5 Tm TmB2
2024-11-03 11:17:29.725535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044951902).
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 agm044951902
data_agm044951902
_cell_length_a 3.96256
_cell_length_b 8.67965
_cell_length_c 12.02315
_cell_angle_alpha 88.53398
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 413.38415
_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 0.75000 0.29909 0.88462 1.00000
Tm2 Tm 0.25000 0.70091 0.11538 1.00000
Tm3 Tm 0.75000 0.91847 0.89933 1.00000
Tm4 Tm 0.25000 0.08153 0.10067 1.00000
Tm5 Tm 0.75000 0.88459 0.31756 1.00000
Tm6 Tm 0.25000 0.11541 0.68244 1.00000
B1 B 0.75000 0.88286 0.11747 1.00000
B2 B 0.25000 0.11714 0.88253 1.00000
I1 I 0.75000 0.38525 0.13130 1.00000
I2 I 0.25000 0.61475 0.86870 1.00000
I3 I 0.75000 0.86344 0.62607 1.00000
I4 I 0.25000 0.13656 0.37393 1.00000
I5 I 0.75000 0.37254 0.62866 1.00000
I6 I 0.25000 0.62746 0.37134 1.00000
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