AcTb5NdSm2
Alexandria ALEXAlex-ID: agm005165478 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
Tb5Sm Tb4NdSm3 Tb4Nd3Sm Ac
2023-01-16 14:11:24.225549
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005165478).
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 agm005165478
data_agm005165478
_cell_length_a 8.94192
_cell_length_b 8.94192
_cell_length_c 10.03131
_cell_angle_alpha 116.46817
_cell_angle_beta 116.46817
_cell_angle_gamma 90.00000
_cell_volume 622.68831
_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
Ac1 Ac 0.25000 0.75000 0.50000 1.00000
Ac2 Ac 0.75000 0.25000 0.50000 1.00000
Tb1 Tb 0.92009 0.42009 0.26058 1.00000
Tb2 Tb 0.65951 0.15951 0.73942 1.00000
Tb3 Tb 0.07991 0.57991 0.73942 1.00000
Tb4 Tb 0.15951 0.07991 0.73942 1.00000
Tb5 Tb 0.57991 0.65951 0.73942 1.00000
Tb6 Tb 0.84049 0.92009 0.26058 1.00000
Tb7 Tb 0.42009 0.34049 0.26058 1.00000
Tb8 Tb 0.34049 0.84049 0.26058 1.00000
Tb9 Tb 0.50000 0.50000 0.00000 1.00000
Tb10 Tb 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.25000 0.25000 0.50000 1.00000
Nd2 Nd 0.75000 0.75000 0.50000 1.00000
Sm1 Sm 0.11380 0.38620 0.00000 1.00000
Sm2 Sm 0.61380 0.11380 0.00000 1.00000
Sm3 Sm 0.38620 0.88620 1.00000 1.00000
Sm4 Sm 0.88620 0.61380 0.00000 1.00000
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