Tb2Pm3PrSm6
Alexandria ALEXAlex-ID: agm021781663 · Space group: P-31m (#162)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_400_spg12
Tb4Pm3Sm PmSm2 Pm2Pr PrSm4
2025-03-23 07:04:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021781663).
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 agm021781663
data_agm021781663
_cell_length_a 6.31119
_cell_length_b 6.31119
_cell_length_c 11.75126
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 405.35649
_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 0.66667 0.33333 0.00000 1.00000
Tb2 Tb 0.33333 0.66667 0.00000 1.00000
Pm1 Pm 0.33333 0.66667 0.50000 1.00000
Pm2 Pm 0.66667 0.33333 0.50000 1.00000
Pm3 Pm 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.33479 0.33479 0.24912 1.00000
Sm2 Sm 0.00000 0.33479 0.75088 1.00000
Sm3 Sm 0.66521 0.66521 0.75088 1.00000
Sm4 Sm 0.66521 0.00000 0.24912 1.00000
Sm5 Sm 0.00000 0.66521 0.24912 1.00000
Sm6 Sm 0.33479 0.00000 0.75088 1.00000
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