ErTh2As3
Alexandria ALEXAlex-ID: agm003429863 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_873_spg71
ErTh4As5 Er3ThAs4
2022-02-12 14:54:19.358534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003429863).
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 agm003429863
data_agm003429863
_cell_length_a 4.19458
_cell_length_b 5.94996
_cell_length_c 7.28140
_cell_angle_alpha 114.11518
_cell_angle_beta 106.74027
_cell_angle_gamma 90.00000
_cell_volume 157.39025
_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 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.83276 0.83276 0.16551 1.00000
Th2 Th 0.16724 0.16724 0.83449 1.00000
As1 As 0.83913 0.33913 0.17826 1.00000
As2 As 0.16087 0.66087 0.82174 1.00000
As3 As 0.50000 0.00000 0.50000 1.00000
