Tm2Sc4Te9
Alexandria ALEXAlex-ID: agm005643633 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_141_spg2
Sc2Te3 Tm2Te3
2023-06-16 23:41:32.325453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643633).
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 agm005643633
data_agm005643633
_cell_length_a 7.38817
_cell_length_b 7.38516
_cell_length_c 20.33220
_cell_angle_alpha 90.01866
_cell_angle_beta 90.02508
_cell_angle_gamma 60.01299
_cell_volume 960.87940
_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 0.99886 0.00181 0.34164 1.00000
Tm2 Tm 0.99979 0.99876 0.15832 1.00000
Tm3 Tm 0.00114 0.99819 0.65836 1.00000
Tm4 Tm 0.00021 0.00124 0.84168 1.00000
Sc1 Sc 0.33267 0.33353 0.99417 1.00000
Sc2 Sc 0.33475 0.33281 0.49500 1.00000
Sc3 Sc 0.66733 0.66647 0.00583 1.00000
Sc4 Sc 0.33199 0.33395 0.17290 1.00000
Sc5 Sc 0.66525 0.66719 0.50500 1.00000
Sc6 Sc 0.66584 0.66668 0.32790 1.00000
Sc7 Sc 0.33416 0.33332 0.67210 1.00000
Sc8 Sc 0.66801 0.66605 0.82710 1.00000
Te1 Te 0.00140 0.32811 0.74963 1.00000
Te2 Te 0.32877 0.67084 0.75032 1.00000
Te3 Te 0.67184 0.00037 0.75006 1.00000
Te4 Te 0.99860 0.67189 0.25037 1.00000
Te5 Te 0.67123 0.32916 0.24968 1.00000
Te6 Te 0.32816 0.99963 0.24994 1.00000
Te7 Te 0.65481 0.98915 0.41722 1.00000
Te8 Te 0.98778 0.35700 0.41778 1.00000
Te9 Te 0.35494 0.65640 0.41714 1.00000
Te10 Te 0.64176 0.01395 0.08263 1.00000
Te11 Te 0.34429 0.64200 0.08268 1.00000
Te12 Te 0.01353 0.34243 0.08255 1.00000
Te13 Te 0.34519 0.01085 0.58278 1.00000
Te14 Te 0.01222 0.64300 0.58222 1.00000
Te15 Te 0.64506 0.34360 0.58286 1.00000
Te16 Te 0.35824 0.98605 0.91737 1.00000
Te17 Te 0.65571 0.35800 0.91732 1.00000
Te18 Te 0.98647 0.65757 0.91745 1.00000
