La5Er5Th2
Alexandria ALEXAlex-ID: agm005667544 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
La7Er Er2Th LaEr2
2023-06-19 04:00:37.646540
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667544).
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 agm005667544
data_agm005667544
_cell_length_a 5.06629
_cell_length_b 10.85612
_cell_length_c 8.13071
_cell_angle_alpha 98.48568
_cell_angle_beta 71.84716
_cell_angle_gamma 76.50634
_cell_volume 401.29235
_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 0.66728 0.25377 0.41167 1.00000
La2 La 0.99363 0.25671 0.75603 1.00000
La3 La 0.00637 0.74329 0.24397 1.00000
La4 La 0.33272 0.74623 0.58833 1.00000
La5 La 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.00000 0.50000 0.50000 1.00000
Er2 Er 0.67125 0.74275 0.91475 1.00000
Er3 Er 0.33416 0.99831 0.33336 1.00000
Er4 Er 0.66584 0.00169 0.66664 1.00000
Er5 Er 0.32875 0.25725 0.08525 1.00000
Th1 Th 0.32922 0.50183 0.83974 1.00000
Th2 Th 0.67078 0.49817 0.16026 1.00000
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