Tb2Pm2Sm5
Alexandria ALEXAlex-ID: agm009401712 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_313_spg12
PmSm2 Tb4Pm3Sm Sm
2024-05-15 07:46:01.837795
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009401712).
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 agm009401712
data_agm009401712
_cell_length_a 6.26471
_cell_length_b 6.26471
_cell_length_c 14.91026
_cell_angle_alpha 69.43784
_cell_angle_beta 69.43784
_cell_angle_gamma 33.59806
_cell_volume 301.23473
_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 0.55533 0.55533 0.77831 1.00000
Tb2 Tb 0.44467 0.44467 0.22169 1.00000
Pm1 Pm 0.33251 0.33251 0.66738 1.00000
Pm2 Pm 0.66749 0.66749 0.33262 1.00000
Sm1 Sm 0.88925 0.88925 0.44357 1.00000
Sm2 Sm 0.11075 0.11075 0.55643 1.00000
Sm3 Sm 0.22157 0.22157 0.11109 1.00000
Sm4 Sm 0.77843 0.77843 0.88891 1.00000
Sm5 Sm 0.00000 0.00000 0.00000 1.00000
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