Tm6Ge2As3Se
Alexandria ALEXAlex-ID: agm004594635 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
TmGe Tm6GeAs3Se2 Tm6As5Se
2022-06-27 10:14:03.312939
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004594635).
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 agm004594635
data_agm004594635
_cell_length_a 4.01179
_cell_length_b 8.23728
_cell_length_c 9.12360
_cell_angle_alpha 103.06318
_cell_angle_beta 102.70070
_cell_angle_gamma 90.00000
_cell_volume 286.11990
_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 0.33151 0.91718 0.66302 1.00000
Tm2 Tm 0.66657 0.58611 0.33315 1.00000
Tm3 Tm 0.66849 0.08282 0.33698 1.00000
Tm4 Tm 0.00137 0.25753 0.00274 1.00000
Tm5 Tm 0.99863 0.74247 0.99726 1.00000
Tm6 Tm 0.33343 0.41389 0.66685 1.00000
Ge1 Ge 0.83381 0.66798 0.66762 1.00000
Ge2 Ge 0.16619 0.33202 0.33238 1.00000
As1 As 0.50000 0.50000 0.00000 1.00000
As2 As 0.83599 0.16561 0.67197 1.00000
As3 As 0.16401 0.83439 0.32803 1.00000
Se1 Se 0.50000 0.00000 0.00000 1.00000
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