Ac2La12Tm5
Alexandria ALEXAlex-ID: agm005686264 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_218_spg12
La7Tm LaTm2 Ac
2023-06-25 23:27:36.693842
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686264).
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 agm005686264
data_agm005686264
_cell_length_a 11.81594
_cell_length_b 8.93064
_cell_length_c 9.69540
_cell_angle_alpha 69.94919
_cell_angle_beta 90.00001
_cell_angle_gamma 131.41738
_cell_volume 682.35002
_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
Ac1 Ac 0.73299 0.00000 1.00000 1.00000
Ac2 Ac 0.26701 1.00000 0.00000 1.00000
La1 La 0.12875 0.25750 0.05439 1.00000
La2 La 0.05353 0.62872 0.79618 1.00000
La3 La 0.57518 0.62872 0.79618 1.00000
La4 La 0.17436 0.77834 0.42848 1.00000
La5 La 0.60398 0.77834 0.42848 1.00000
La6 La 0.42578 0.85156 0.77672 1.00000
La7 La 0.57422 0.14844 0.22328 1.00000
La8 La 0.82564 0.22166 0.57152 1.00000
La9 La 0.39602 0.22166 0.57152 1.00000
La10 La 0.94647 0.37128 0.20382 1.00000
La11 La 0.42482 0.37128 0.20382 1.00000
La12 La 0.87125 0.74250 0.94561 1.00000
Tm1 Tm 0.18843 0.37687 0.66606 1.00000
Tm2 Tm 0.30454 0.60909 0.24545 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Tm4 Tm 0.69546 0.39091 0.75455 1.00000
Tm5 Tm 0.81157 0.62313 0.33394 1.00000
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