Tb6PrSm5
Alexandria ALEXAlex-ID: agm006118980 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Tb4PrSm3 PrSm4 Tb2Sm
2023-09-04 01:44:26.349571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118980).
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 agm006118980
data_agm006118980
_cell_length_a 5.09290
_cell_length_b 10.17106
_cell_length_c 9.52593
_cell_angle_alpha 122.26657
_cell_angle_beta 105.51563
_cell_angle_gamma 90.00022
_cell_volume 395.81434
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Tb1 Tb 0.83306 0.58242 0.66617 1.00000
Tb2 Tb 0.83306 0.08377 0.66617 1.00000
Tb3 Tb 0.50000 0.74875 0.99999 1.00000
Tb4 Tb 0.50000 0.25125 0.00001 1.00000
Tb5 Tb 0.16694 0.91623 0.33383 1.00000
Tb6 Tb 0.16694 0.41758 0.33383 1.00000
Sm1 Sm 0.66743 0.16733 0.33465 1.00000
Sm2 Sm 0.33326 0.33329 0.66657 1.00000
Sm3 Sm 0.00000 0.50000 0.00000 1.00000
Sm4 Sm 0.66674 0.66671 0.33343 1.00000
Sm5 Sm 0.33257 0.83267 0.66535 1.00000
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