Ac2(TmSe2)3
Alexandria ALEXAlex-ID: agm005602002 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_239_spg12
Tm5Se6 Ac2Se3 AcSe
2023-06-12 22:57:21.209022
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602002).
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 agm005602002
data_agm005602002
_cell_length_a 7.17862
_cell_length_b 7.14880
_cell_length_c 7.47909
_cell_angle_alpha 80.80594
_cell_angle_beta 71.44408
_cell_angle_gamma 59.86189
_cell_volume 314.67488
_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 0.16584 0.66832 0.50000 1.00000
Ac2 Ac 0.83416 0.33168 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.33419 0.33163 1.00000 1.00000
Tm3 Tm 0.66581 0.66837 0.00000 1.00000
Se1 Se 0.40745 0.67255 0.77753 1.00000
Se2 Se 0.73429 0.00000 0.77401 1.00000
Se3 Se 0.08000 0.32745 0.77753 1.00000
Se4 Se 0.26571 1.00000 0.22599 1.00000
Se5 Se 0.59255 0.32745 0.22247 1.00000
Se6 Se 0.92000 0.67255 0.22247 1.00000
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