Tm3Cd5Se8
Alexandria ALEXAlex-ID: agm009257939 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8_3_spg166
Tm2Se3 CdSe Cd
2024-07-13 15:29:00.710230
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009257939).
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
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# CIF generated by HEAS from Alexandria entry agm009257939
data_agm009257939
_cell_length_a 8.46413
_cell_length_b 8.46413
_cell_length_c 8.46413
_cell_angle_alpha 57.39579
_cell_angle_beta 57.39579
_cell_angle_gamma 57.39579
_cell_volume 403.08230
_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
Tm1 Tm 0.00000 0.00000 0.50000 1.00000
Tm2 Tm 0.50000 0.00000 0.00000 1.00000
Tm3 Tm 0.00000 0.50000 0.00000 1.00000
Cd1 Cd 0.50000 0.00000 0.50000 1.00000
Cd2 Cd 0.00000 0.50000 0.50000 1.00000
Cd3 Cd 0.00000 0.00000 0.00000 1.00000
Cd4 Cd 0.50000 0.50000 0.00000 1.00000
Cd5 Cd 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.76066 0.25094 0.25094 1.00000
Se2 Se 0.25094 0.76066 0.25094 1.00000
Se3 Se 0.25094 0.25094 0.76066 1.00000
Se4 Se 0.75712 0.75712 0.75712 1.00000
Se5 Se 0.23934 0.74906 0.74906 1.00000
Se6 Se 0.74906 0.23934 0.74906 1.00000
Se7 Se 0.74906 0.74906 0.23934 1.00000
Se8 Se 0.24288 0.24288 0.24288 1.00000
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