ErTh2Se3
Alexandria ALEXAlex-ID: agm033853518 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_3087_spg8
Er4ThSe5 ErTh3Se4
2025-04-15 09:32:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033853518).
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 agm033853518
data_agm033853518
_cell_length_a 7.35303
_cell_length_b 7.35303
_cell_length_c 7.35303
_cell_angle_alpha 148.30524
_cell_angle_beta 132.86139
_cell_angle_gamma 57.92112
_cell_volume 151.92600
_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
Th1 Th 0.32752 0.32752 0.00000 1.00000
Th2 Th 0.67248 0.67248 1.00000 1.00000
Se1 Se 0.84489 0.34489 0.50000 1.00000
Se2 Se 0.15511 0.65511 0.50000 1.00000
Se3 Se 0.50000 0.00000 0.50000 1.00000
