Tm(Ga4Se3)2
Alexandria ALEXAlex-ID: agm072964186 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_339_spg2
Tm2Se3 GaSe Ga
2024-10-06 08:42:24.586661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072964186).
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 agm072964186
data_agm072964186
_cell_length_a 8.14596
_cell_length_b 8.46638
_cell_length_c 9.49892
_cell_angle_alpha 53.80412
_cell_angle_beta 52.47769
_cell_angle_gamma 53.75146
_cell_volume 390.88747
_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 0.81431 0.38989 0.63269 1.00000
Ga1 Ga 0.47758 0.08745 0.21664 1.00000
Ga2 Ga 0.15159 0.69131 0.04895 1.00000
Ga3 Ga 0.74028 0.24537 0.13255 1.00000
Ga4 Ga 0.79736 0.01651 0.45169 1.00000
Ga5 Ga 0.40701 0.19557 0.67463 1.00000
Ga6 Ga 0.88920 0.53317 0.13257 1.00000
Ga7 Ga 0.83116 0.76361 0.81343 1.00000
Ga8 Ga 0.22145 0.58411 0.59088 1.00000
Se1 Se 0.04976 0.18723 0.36924 1.00000
Se2 Se 0.57252 0.11002 0.88710 1.00000
Se3 Se 0.55778 0.68700 0.40460 1.00000
Se4 Se 0.57935 0.59183 0.89657 1.00000
Se5 Se 0.05581 0.66987 0.37842 1.00000
Se6 Se 0.07131 0.09197 0.86054 1.00000
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