Tm5(SbH)2
Alexandria ALEXAlex-ID: agm006529348 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_129_spg46
Tm5Sb3 Tm TmH2
2024-02-27 04:18:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006529348).
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 agm006529348
data_agm006529348
_cell_length_a 9.58592
_cell_length_b 9.58592
_cell_length_c 9.58592
_cell_angle_alpha 141.91852
_cell_angle_beta 131.67449
_cell_angle_gamma 63.12585
_cell_volume 400.90870
_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 0.28015 0.78015 0.00000 1.00000
Tm2 Tm 0.71985 0.71985 0.50000 1.00000
Tm3 Tm 0.28015 0.28015 0.50000 1.00000
Tm4 Tm 0.71985 0.21985 0.00000 1.00000
Tm5 Tm 0.27821 0.36258 0.91564 1.00000
Tm6 Tm 0.72179 0.63742 0.08436 1.00000
Tm7 Tm 0.94694 0.86258 0.08436 1.00000
Tm8 Tm 0.05306 0.13742 0.91564 1.00000
Tm9 Tm 0.50000 0.00000 0.00000 1.00000
Tm10 Tm 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.34191 0.87571 0.46620 1.00000
Sb2 Sb 0.65809 0.12429 0.53380 1.00000
Sb3 Sb 0.90952 0.37571 0.53380 1.00000
Sb4 Sb 0.09048 0.62429 0.46620 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
H2 H 0.00000 0.00000 0.00000 1.00000
H3 H 0.29972 0.25000 0.04972 1.00000
H4 H 0.70028 0.75000 0.95028 1.00000
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