Tb5ErSc
Alexandria ALEXAlex-ID: agm005756984 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_836_spg1
Tb5Er Sc
2023-07-17 15:09:31.568862
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756984).
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 agm005756984
data_agm005756984
_cell_length_a 9.27606
_cell_length_b 15.28799
_cell_length_c 6.08140
_cell_angle_alpha 37.39071
_cell_angle_beta 40.20194
_cell_angle_gamma 24.42256
_cell_volume 213.71572
_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
Tb1 Tb 0.42750 0.35702 0.36261 1.00000
Tb2 Tb 0.13920 0.21811 0.63956 1.00000
Tb3 Tb 0.56665 0.92954 0.21783 1.00000
Tb4 Tb 0.00160 0.64280 0.78029 1.00000
Tb5 Tb 0.28937 0.78217 0.50199 1.00000
Er1 Er 0.86189 0.07039 0.92583 1.00000
Sc1 Sc 0.71381 0.49997 0.07190 1.00000
