La4Tm3Sc
Alexandria ALEXAlex-ID: agm005995463 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_446_spg12
La7Tm LaTm2 Sc
2023-10-05 11:09:31.962857
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995463).
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 agm005995463
data_agm005995463
_cell_length_a 3.40954
_cell_length_b 6.18385
_cell_length_c 12.53312
_cell_angle_alpha 92.75782
_cell_angle_beta 97.81898
_cell_angle_gamma 89.99921
_cell_volume 261.48361
_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
Sc1 Sc 0.50000 0.00000 0.00000 1.00000
Tm1 Tm 0.00000 0.50000 0.00000 1.00000
Tm2 Tm 0.13920 0.72778 0.27841 1.00000
Tm3 Tm 0.86080 0.27222 0.72159 1.00000
La1 La 0.71937 0.24582 0.43874 1.00000
La2 La 0.28063 0.75418 0.56126 1.00000
La3 La 0.10341 0.22234 0.20682 1.00000
La4 La 0.89659 0.77766 0.79318 1.00000
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