TbSm4Tm5
Alexandria ALEXAlex-ID: agm003651925 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
TbSm4Tm Tb(SmTm3)2 Sm
2022-04-08 02:39:59.864579
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003651925).
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 agm003651925
data_agm003651925
_cell_length_a 6.20085
_cell_length_b 7.89022
_cell_length_c 7.89022
_cell_angle_alpha 81.11763
_cell_angle_beta 66.86209
_cell_angle_gamma 66.86209
_cell_volume 326.43090
_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 0.21941 0.00000 0.00000 1.00000
Sm1 Sm 0.40503 0.39419 0.69938 1.00000
Sm2 Sm 0.79922 0.69938 0.60581 1.00000
Sm3 Sm 0.10441 0.30062 0.39419 1.00000
Sm4 Sm 0.49860 0.60581 0.30062 1.00000
Tm1 Tm 0.80082 0.37796 0.91974 1.00000
Tm2 Tm 0.17878 0.91974 0.62204 1.00000
Tm3 Tm 0.72056 0.08026 0.37796 1.00000
Tm4 Tm 0.09852 0.62204 0.08026 1.00000
Tm5 Tm 0.68495 0.00000 0.00000 1.00000
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