La(Tm3Sn4)2
Alexandria ALEXAlex-ID: agm072199403 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Tm11Sn10 TmSn2 La2Sn5
2024-10-07 07:56:52.257948
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072199403).
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 agm072199403
data_agm072199403
_cell_length_a 8.01047
_cell_length_b 8.01047
_cell_length_c 8.01047
_cell_angle_alpha 68.40340
_cell_angle_beta 68.40340
_cell_angle_gamma 68.40340
_cell_volume 427.99147
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.82787 0.59093 0.34228 1.00000
Tm2 Tm 0.59093 0.34228 0.82787 1.00000
Tm3 Tm 0.34228 0.82787 0.59093 1.00000
Tm4 Tm 0.17213 0.40907 0.65772 1.00000
Tm5 Tm 0.40907 0.65772 0.17213 1.00000
Tm6 Tm 0.65772 0.17213 0.40907 1.00000
Sn1 Sn 0.71029 0.71029 0.71029 1.00000
Sn2 Sn 0.28971 0.28971 0.28971 1.00000
Sn3 Sn 0.17168 0.57086 0.96362 1.00000
Sn4 Sn 0.57086 0.96362 0.17168 1.00000
Sn5 Sn 0.96362 0.17168 0.57086 1.00000
Sn6 Sn 0.82832 0.42914 0.03638 1.00000
Sn7 Sn 0.42914 0.03638 0.82832 1.00000
Sn8 Sn 0.03638 0.82832 0.42914 1.00000
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