Gd2(SO4)3
Alexandria ALEXAlex-ID: agm005266355 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C12_85_spg1
Gd2(SO4)3
2023-05-07 13:09:57.127139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005266355).
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 agm005266355
data_agm005266355
_cell_length_a 6.47395
_cell_length_b 7.15685
_cell_length_c 6.85863
_cell_angle_alpha 124.07709
_cell_angle_beta 104.81185
_cell_angle_gamma 90.25565
_cell_volume 250.10082
_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
Gd1 Gd 0.34535 0.01311 0.56339 1.00000
Gd2 Gd 0.11255 0.63231 0.79518 1.00000
S1 S 0.95476 0.13526 0.80453 1.00000
S2 S 0.53222 0.52231 0.59085 1.00000
S3 S 0.63550 0.27747 0.24128 1.00000
O1 O 0.71961 0.02860 0.64226 1.00000
O2 O 0.05307 0.24623 0.69784 1.00000
O3 O 0.08117 0.92553 0.71919 1.00000
O4 O 0.74491 0.63458 0.78213 1.00000
O5 O 0.40300 0.37639 0.62713 1.00000
O6 O 0.39224 0.69123 0.60317 1.00000
O7 O 0.86475 0.38972 0.35682 1.00000
O8 O 0.58018 0.06333 0.20759 1.00000
O9 O 0.51962 0.29294 0.04016 1.00000
O10 O 0.31860 0.67560 0.16338 1.00000
O11 O 0.09738 0.93482 0.18907 1.00000
O12 O 0.09651 0.71917 0.17392 1.00000
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