Tm6Sc8S
Alexandria ALEXAlex-ID: agm072855487 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Tm4S3 Tm Sc
2024-10-11 20:18:52.079073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072855487).
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
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# CIF generated by HEAS from Alexandria entry agm072855487
data_agm072855487
_cell_length_a 7.63566
_cell_length_b 7.63566
_cell_length_c 7.63566
_cell_angle_alpha 72.64990
_cell_angle_beta 72.64990
_cell_angle_gamma 72.64990
_cell_volume 394.74800
_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 0.17615 0.60522 0.46607 1.00000
Tm2 Tm 0.46607 0.17615 0.60522 1.00000
Tm3 Tm 0.60522 0.46607 0.17615 1.00000
Tm4 Tm 0.82385 0.39478 0.53393 1.00000
Tm5 Tm 0.53393 0.82385 0.39478 1.00000
Tm6 Tm 0.39478 0.53393 0.82385 1.00000
Sc1 Sc 0.24924 0.24924 0.24924 1.00000
Sc2 Sc 0.75076 0.75076 0.75076 1.00000
Sc3 Sc 0.89259 0.03532 0.33364 1.00000
Sc4 Sc 0.33364 0.89259 0.03532 1.00000
Sc5 Sc 0.03532 0.33364 0.89259 1.00000
Sc6 Sc 0.10741 0.96468 0.66636 1.00000
Sc7 Sc 0.66636 0.10741 0.96468 1.00000
Sc8 Sc 0.96468 0.66636 0.10741 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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