La6Tb5Er
Alexandria ALEXAlex-ID: agm006118066 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_84_spg12
LaTb La5Tb LaEr2
2023-08-30 01:55:56.293442
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118066).
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 agm006118066
data_agm006118066
_cell_length_a 6.23712
_cell_length_b 7.40059
_cell_length_c 9.66969
_cell_angle_alpha 67.48543
_cell_angle_beta 87.99983
_cell_angle_gamma 89.96074
_cell_volume 412.02848
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Tb1 Tb 0.66657 0.16669 0.66684 1.00000
Tb2 Tb 0.33415 0.33327 0.33339 1.00000
Tb3 Tb 0.00000 0.50000 0.00000 1.00000
Tb4 Tb 0.66585 0.66673 0.66661 1.00000
Tb5 Tb 0.33343 0.83331 0.33316 1.00000
La1 La 0.83410 0.58396 0.33275 1.00000
La2 La 0.83420 0.08348 0.33279 1.00000
La3 La 0.50012 0.75065 0.99993 1.00000
La4 La 0.49988 0.24935 0.00007 1.00000
La5 La 0.16580 0.91652 0.66721 1.00000
La6 La 0.16590 0.41604 0.66725 1.00000
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