Ho(TmSe2)3
Alexandria ALEXAlex-ID: agm006017643 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_57_spg146
Ho2Se3 Tm2Se3
2023-09-21 16:35:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006017643).
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 agm006017643
data_agm006017643
_cell_length_a 7.11555
_cell_length_b 7.11555
_cell_length_c 7.63136
_cell_angle_alpha 62.21179
_cell_angle_beta 62.21179
_cell_angle_gamma 60.00000
_cell_volume 281.99490
_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
Ho1 Ho 0.84787 0.84787 0.45639 1.00000
Tm1 Tm 0.34702 0.34702 0.95895 1.00000
Tm2 Tm 0.65349 0.65349 0.03954 1.00000
Tm3 Tm 0.15287 0.15287 0.54138 1.00000
Se1 Se 0.94279 0.55348 0.25003 1.00000
Se2 Se 0.25369 0.94279 0.25003 1.00000
Se3 Se 0.55348 0.25369 0.25003 1.00000
Se4 Se 0.05664 0.44164 0.75121 1.00000
Se5 Se 0.75050 0.05664 0.75121 1.00000
Se6 Se 0.44164 0.75050 0.75121 1.00000
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