Er2U2S7
Alexandria ALEXAlex-ID: agm003320652 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_304_spg44
US2 Er2S3
2022-01-22 14:18:45.806647
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003320652).
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 agm003320652
data_agm003320652
_cell_length_a 3.87715
_cell_length_b 8.37654
_cell_length_c 8.37654
_cell_angle_alpha 61.24870
_cell_angle_beta 76.61878
_cell_angle_gamma 76.61878
_cell_volume 229.71964
_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 0.79106 0.20894 1.00000
Er2 Er 0.50000 0.32646 0.67354 1.00000
U1 U 0.74152 0.84522 0.67173 1.00000
U2 U 0.25848 0.32827 0.15478 1.00000
S1 S 0.81500 0.07455 0.29544 1.00000
S2 S 0.86031 0.42022 0.85917 1.00000
S3 S 0.50000 0.01103 0.98897 1.00000
S4 S 0.61057 0.49527 0.28358 1.00000
S5 S 0.38943 0.71642 0.50473 1.00000
S6 S 0.18500 0.70456 0.92545 1.00000
S7 S 0.13969 0.14083 0.57978 1.00000
Get direct link