Tb2Ho(TmSc)2
Alexandria ALEXAlex-ID: agm017247669 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_138_spg164
Tb5Tm Tb2Ho Tb2HoSc5 HoTm5
2025-06-27 09:04:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017247669).
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
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# CIF generated by HEAS from Alexandria entry agm017247669
data_agm017247669
_cell_length_a 3.48332
_cell_length_b 3.48332
_cell_length_c 19.46895
_cell_angle_alpha 84.87735
_cell_angle_beta 95.12265
_cell_angle_gamma 119.98291
_cell_volume 203.52295
_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
Tb1 Tb 0.80919 0.19081 0.22087 1.00000
Tb2 Tb 0.32821 0.67179 0.77893 1.00000
Ho1 Ho 0.90242 0.09758 0.49932 1.00000
Tm1 Tm 0.71176 0.28824 0.92812 1.00000
Tm2 Tm 0.09359 0.90641 0.07274 1.00000
Sc1 Sc 0.61514 0.38486 0.63911 1.00000
Sc2 Sc 0.52277 0.47723 0.36091 1.00000
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