La6TbTm2Th
Alexandria ALEXAlex-ID: agm004982017 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
La15Tm La5Tb LaTh4 Tm2Th
2022-07-25 03:41:40.846938
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004982017).
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 agm004982017
data_agm004982017
_cell_length_a 9.86033
_cell_length_b 8.93316
_cell_length_c 8.93316
_cell_angle_alpha 115.91193
_cell_angle_beta 85.36555
_cell_angle_gamma 85.36555
_cell_volume 699.50684
_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 0.12000 0.00979 0.80093 1.00000
La2 La 0.38000 0.19907 0.99021 1.00000
La3 La 0.88000 0.99021 0.19907 1.00000
La4 La 0.62000 0.80093 0.00979 1.00000
La5 La 0.30973 0.07572 0.50697 1.00000
La6 La 0.19027 0.49303 0.92428 1.00000
La7 La 0.69027 0.92428 0.49303 1.00000
La8 La 0.80973 0.50697 0.07572 1.00000
La9 La 0.05900 0.73962 0.39804 1.00000
La10 La 0.44100 0.60196 0.26038 1.00000
La11 La 0.94100 0.26038 0.60196 1.00000
La12 La 0.55900 0.39804 0.73962 1.00000
Tb1 Tb 0.25000 0.90714 0.09286 1.00000
Tb2 Tb 0.75000 0.09286 0.90714 1.00000
Tm1 Tm 0.44715 0.78350 0.69698 1.00000
Tm2 Tm 0.05285 0.30302 0.21650 1.00000
Tm3 Tm 0.55285 0.21650 0.30302 1.00000
Tm4 Tm 0.94715 0.69698 0.78350 1.00000
Th1 Th 0.25000 0.46725 0.53275 1.00000
Th2 Th 0.75000 0.53275 0.46725 1.00000
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