Er2(SO4)3
Alexandria ALEXAlex-ID: agm007972015 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C12_21_spg15
Er2(SO4)3
2025-01-02 21:42:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007972015).
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 agm007972015
data_agm007972015
_cell_length_a 11.00129
_cell_length_b 11.00129
_cell_length_c 6.91095
_cell_angle_alpha 72.98050
_cell_angle_beta 107.01950
_cell_angle_gamma 145.34897
_cell_volume 452.66419
_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 0.98108 0.71317 0.65330 1.00000
Er2 Er 0.01892 0.28683 0.34670 1.00000
Er3 Er 0.71317 0.98108 0.84670 1.00000
Er4 Er 0.28683 0.01892 0.15330 1.00000
S1 S 0.12974 0.49198 0.80402 1.00000
S2 S 0.87026 0.50802 0.19598 1.00000
S3 S 0.49198 0.12974 0.69598 1.00000
S4 S 0.50802 0.87026 0.30402 1.00000
S5 S 0.84578 0.84578 0.25000 1.00000
S6 S 0.15422 0.15422 0.75000 1.00000
O1 O 0.03171 0.32987 0.98997 1.00000
O2 O 0.96829 0.67013 0.01003 1.00000
O3 O 0.32987 0.03171 0.51003 1.00000
O4 O 0.67013 0.96829 0.48997 1.00000
O5 O 0.98837 0.64129 0.36748 1.00000
O6 O 0.01163 0.35871 0.63252 1.00000
O7 O 0.64129 0.98837 0.13252 1.00000
O8 O 0.35871 0.01163 0.86748 1.00000
O9 O 0.65130 0.36013 0.68288 1.00000
O10 O 0.34870 0.63987 0.31712 1.00000
O11 O 0.36013 0.65130 0.81712 1.00000
O12 O 0.63987 0.34870 0.18288 1.00000
O13 O 0.09273 0.59610 0.78599 1.00000
O14 O 0.90727 0.40390 0.21401 1.00000
O15 O 0.59610 0.09273 0.71401 1.00000
O16 O 0.40390 0.90727 0.28599 1.00000
O17 O 0.02904 0.93213 0.19368 1.00000
O18 O 0.97096 0.06787 0.80632 1.00000
O19 O 0.93213 0.02904 0.30632 1.00000
O20 O 0.06787 0.97096 0.69368 1.00000
O21 O 0.75529 0.67830 0.42195 1.00000
O22 O 0.24471 0.32170 0.57805 1.00000
O23 O 0.67830 0.75529 0.07805 1.00000
O24 O 0.32170 0.24471 0.92195 1.00000
