Sm5(TmH)2
Alexandria ALEXAlex-ID: agm007166272 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_276_spg12
SmTm2 TmH2 Sm
2024-06-24 12:09:39.513593
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007166272).
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 agm007166272
data_agm007166272
_cell_length_a 5.17026
_cell_length_b 6.34911
_cell_length_c 8.05542
_cell_angle_alpha 97.63262
_cell_angle_beta 89.30733
_cell_angle_gamma 113.69592
_cell_volume 239.74372
_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
Sm1 Sm 0.42784 0.85251 0.27975 1.00000
Sm2 Sm 0.57216 0.14749 0.72025 1.00000
Sm3 Sm 0.14218 0.29022 0.42764 1.00000
Sm4 Sm 0.85782 0.70978 0.57236 1.00000
Sm5 Sm 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.28800 0.56397 0.85781 1.00000
Tm2 Tm 0.71200 0.43603 0.14219 1.00000
H1 H 0.46113 0.43011 0.64469 1.00000
H2 H 0.53887 0.56989 0.35531 1.00000
Get direct link