Sm3Ho5Tm
Alexandria ALEXAlex-ID: agm003565026 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_209_spg12
Sm3(Ho2Tm)2 Sm2Ho7 Sm
2022-03-25 06:48:34.562996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003565026).
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 agm003565026
data_agm003565026
_cell_length_a 9.48104
_cell_length_b 9.48104
_cell_length_c 11.56988
_cell_angle_alpha 52.64715
_cell_angle_beta 52.64715
_cell_angle_gamma 73.42135
_cell_volume 651.51122
_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 0.69883 0.69883 0.81001 1.00000
Sm2 Sm 0.65974 0.65974 0.36235 1.00000
Sm3 Sm 0.00000 0.00000 0.00000 1.00000
Sm4 Sm 0.00000 0.00000 0.50000 1.00000
Sm5 Sm 0.30117 0.30117 0.18999 1.00000
Sm6 Sm 0.34026 0.34026 0.63765 1.00000
Ho1 Ho 0.84380 0.34161 0.25014 1.00000
Ho2 Ho 0.25800 0.74200 0.00000 1.00000
Ho3 Ho 0.81423 0.81423 0.96381 1.00000
Ho4 Ho 0.49123 0.49123 0.22782 1.00000
Ho5 Ho 0.50877 0.50877 0.77218 1.00000
Ho6 Ho 0.18577 0.18577 0.03619 1.00000
Ho7 Ho 0.34161 0.84380 0.25014 1.00000
Ho8 Ho 0.74200 0.25800 0.00000 1.00000
Ho9 Ho 0.15620 0.65839 0.74986 1.00000
Ho10 Ho 0.65839 0.15620 0.74986 1.00000
Tm1 Tm 0.14838 0.14838 0.60283 1.00000
Tm2 Tm 0.85162 0.85162 0.39717 1.00000
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