Tm2Ni2Se
Alexandria ALEXAlex-ID: agm044646996 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5147_spg166
TmNi2 Tm5Se6 Tm6NiSe5
2025-02-28 01:38:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044646996).
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 agm044646996
data_agm044646996
_cell_length_a 7.75187
_cell_length_b 7.75187
_cell_length_c 7.75187
_cell_angle_alpha 29.36343
_cell_angle_beta 29.36343
_cell_angle_gamma 29.36343
_cell_volume 99.11724
_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 0.41826 0.41826 0.41826 1.00000
Tm2 Tm 0.58174 0.58174 0.58174 1.00000
Ni1 Ni 0.17044 0.17044 0.17044 1.00000
Ni2 Ni 0.82956 0.82956 0.82956 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
