Tm6Te3P2Se
Alexandria ALEXAlex-ID: agm004604151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Tm2TeP Tm2TeSe
2022-06-28 17:35:31.426310
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004604151).
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 agm004604151
data_agm004604151
_cell_length_a 4.08131
_cell_length_b 8.39314
_cell_length_c 9.33742
_cell_angle_alpha 104.94957
_cell_angle_beta 102.62365
_cell_angle_gamma 90.00000
_cell_volume 301.01794
_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 0.33401 0.88137 0.66802 1.00000
Tm2 Tm 0.67720 0.56002 0.35440 1.00000
Tm3 Tm 0.66599 0.11863 0.33198 1.00000
Tm4 Tm 0.01495 0.24183 0.02990 1.00000
Tm5 Tm 0.98505 0.75817 0.97010 1.00000
Tm6 Tm 0.32280 0.43998 0.64560 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.83761 0.16602 0.67522 1.00000
Te3 Te 0.16239 0.83398 0.32478 1.00000
P1 P 0.83215 0.66500 0.66430 1.00000
P2 P 0.16785 0.33500 0.33570 1.00000
Se1 Se 0.50000 0.00000 0.00000 1.00000
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