AcTb6Sm2Tm
Alexandria ALEXAlex-ID: agm004983005 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
Tb4SmTm4 Tb5Sm Tb2Sm Ac
2022-08-02 18:56:27.999676
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004983005).
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 agm004983005
data_agm004983005
_cell_length_a 9.60382
_cell_length_b 8.95846
_cell_length_c 8.95846
_cell_angle_alpha 118.06377
_cell_angle_beta 92.86040
_cell_angle_gamma 92.86040
_cell_volume 676.91858
_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 0.97453 0.02547 1.00000
Ac2 Ac 0.75000 0.02547 0.97453 1.00000
Tb1 Tb 0.05735 0.13289 0.74805 1.00000
Tb2 Tb 0.44265 0.25195 0.86711 1.00000
Tb3 Tb 0.94265 0.86711 0.25195 1.00000
Tb4 Tb 0.55735 0.74805 0.13289 1.00000
Tb5 Tb 0.31454 0.98428 0.43909 1.00000
Tb6 Tb 0.18546 0.56091 0.01572 1.00000
Tb7 Tb 0.68546 0.01572 0.56091 1.00000
Tb8 Tb 0.81454 0.43909 0.98428 1.00000
Tb9 Tb 0.11647 0.71164 0.49504 1.00000
Tb10 Tb 0.38353 0.50496 0.28836 1.00000
Tb11 Tb 0.88353 0.28836 0.50496 1.00000
Tb12 Tb 0.61647 0.49504 0.71164 1.00000
Sm1 Sm 0.45271 0.79887 0.68346 1.00000
Sm2 Sm 0.04729 0.31654 0.20113 1.00000
Sm3 Sm 0.54729 0.20113 0.31654 1.00000
Sm4 Sm 0.95271 0.68346 0.79887 1.00000
Tm1 Tm 0.25000 0.41131 0.58869 1.00000
Tm2 Tm 0.75000 0.58869 0.41131 1.00000
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