Er5As4Se
Alexandria ALEXAlex-ID: agm059350183 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_503_spg12
Er4As3Se Er6As5Se
2024-11-09 10:21:45.791213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059350183).
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 agm059350183
data_agm059350183
_cell_length_a 7.06384
_cell_length_b 7.06384
_cell_length_c 9.98005
_cell_angle_alpha 61.87026
_cell_angle_beta 61.87026
_cell_angle_gamma 33.52311
_cell_volume 239.37242
_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 0.20255 0.20255 0.69417 1.00000
Er2 Er 0.79745 0.79745 0.30583 1.00000
Er3 Er 0.39628 0.39628 0.89569 1.00000
Er4 Er 0.00000 0.00000 0.50000 1.00000
Er5 Er 0.60372 0.60372 0.10431 1.00000
As1 As 0.59852 0.59852 0.60284 1.00000
As2 As 0.20187 0.20187 0.19958 1.00000
As3 As 0.79813 0.79813 0.80042 1.00000
As4 As 0.40148 0.40148 0.39716 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
Get direct link