Tb5Pr5Sm2
Alexandria ALEXAlex-ID: agm005646333 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Tb4Pr3Sm PrSm4 Pr
2023-06-19 05:53:45.402297
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646333).
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 agm005646333
data_agm005646333
_cell_length_a 5.13375
_cell_length_b 8.13310
_cell_length_c 10.92029
_cell_angle_alpha 72.75090
_cell_angle_beta 76.40513
_cell_angle_gamma 71.60246
_cell_volume 408.12937
_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 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.33288 0.33381 0.00043 1.00000
Tb3 Tb 0.41807 0.91501 0.24885 1.00000
Tb4 Tb 0.58193 0.08499 0.75115 1.00000
Tb5 Tb 0.66712 0.66619 0.99957 1.00000
Pr1 Pr 0.83519 0.83090 0.49872 1.00000
Pr2 Pr 0.24993 0.74809 0.75204 1.00000
Pr3 Pr 0.75007 0.25191 0.24796 1.00000
Pr4 Pr 0.16481 0.16910 0.50128 1.00000
Pr5 Pr 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.91685 0.41432 0.75198 1.00000
Sm2 Sm 0.08315 0.58568 0.24802 1.00000
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