La12Sm2Tm5
Alexandria ALEXAlex-ID: agm005686152 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_218_spg12
La5Sm LaSm LaTm2
2023-06-25 21:34:12.482204
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686152).
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 agm005686152
data_agm005686152
_cell_length_a 11.80356
_cell_length_b 8.89566
_cell_length_c 9.54353
_cell_angle_alpha 69.88055
_cell_angle_beta 89.99999
_cell_angle_gamma 131.56314
_cell_volume 665.84829
_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 0.09662 0.19324 0.08178 1.00000
La2 La 0.04747 0.56925 0.81301 1.00000
La3 La 0.52178 0.56925 0.81301 1.00000
La4 La 0.15387 0.79195 0.40623 1.00000
La5 La 0.63808 0.79195 0.40623 1.00000
La6 La 0.43768 0.87536 0.77481 1.00000
La7 La 0.56232 0.12464 0.22519 1.00000
La8 La 0.84613 0.20805 0.59377 1.00000
La9 La 0.36192 0.20805 0.59377 1.00000
La10 La 0.95253 0.43075 0.18699 1.00000
La11 La 0.47822 0.43075 0.18699 1.00000
La12 La 0.90338 0.80676 0.91822 1.00000
Sm1 Sm 0.71261 1.00000 0.00000 1.00000
Sm2 Sm 0.28738 0.00000 1.00000 1.00000
Tm1 Tm 0.21902 0.43805 0.63619 1.00000
Tm2 Tm 0.30251 0.60501 0.23296 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Tm4 Tm 0.69749 0.39499 0.76704 1.00000
Tm5 Tm 0.78098 0.56195 0.36381 1.00000
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