CeMgS2BrO6
Alexandria ALEXAlex-ID: agm010907424 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E6_27_spg2
Ce2(SO4)3 S8O CeBr2O CeO2 MgSO4
2025-02-02 21:40:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010907424).
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 agm010907424
data_agm010907424
_cell_length_a 7.05267
_cell_length_b 7.40530
_cell_length_c 8.18483
_cell_angle_alpha 87.36499
_cell_angle_beta 106.98546
_cell_angle_gamma 115.81989
_cell_volume 366.36674
_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
Ce1 Ce 0.82230 0.17701 0.46568 1.00000
Ce2 Ce 0.17770 0.82299 0.53432 1.00000
Mg1 Mg 0.16104 0.88153 0.01176 1.00000
Mg2 Mg 0.83896 0.11847 0.98824 1.00000
S1 S 0.84658 0.51547 0.18294 1.00000
S2 S 0.15342 0.48453 0.81706 1.00000
S3 S 0.71272 0.77195 0.68806 1.00000
S4 S 0.28728 0.22805 0.31194 1.00000
Br1 Br 0.42318 0.14873 0.83701 1.00000
Br2 Br 0.57682 0.85127 0.16299 1.00000
O1 O 0.10108 0.66759 0.82355 1.00000
O2 O 0.16895 0.48738 0.63053 1.00000
O3 O 0.43535 0.11764 0.37970 1.00000
O4 O 0.89892 0.33241 0.17645 1.00000
O5 O 0.11394 0.12268 0.41006 1.00000
O6 O 0.15774 0.13115 0.12447 1.00000
O7 O 0.07102 0.70665 0.20646 1.00000
O8 O 0.83105 0.51262 0.36947 1.00000
O9 O 0.92898 0.29335 0.79354 1.00000
O10 O 0.56465 0.88236 0.62030 1.00000
O11 O 0.84226 0.86885 0.87553 1.00000
O12 O 0.88606 0.87732 0.58994 1.00000
