LaSClO4
Alexandria ALEXAlex-ID: agm003237635 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_218_spg14
LaSClO4
2021-12-14 19:45:48.576293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003237635).
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 agm003237635
data_agm003237635
_cell_length_a 8.22511
_cell_length_b 6.82363
_cell_length_c 8.80159
_cell_angle_alpha 66.04380
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 451.43556
_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
La1 La 0.69038 0.62100 0.26672 1.00000
La2 La 0.80962 0.62100 0.76672 1.00000
La3 La 0.19038 0.37900 0.23328 1.00000
La4 La 0.30962 0.37900 0.73328 1.00000
S1 S 0.92038 0.22384 0.57027 1.00000
S2 S 0.57962 0.22384 0.07027 1.00000
S3 S 0.42038 0.77616 0.92973 1.00000
S4 S 0.07962 0.77616 0.42973 1.00000
Cl1 Cl 0.03781 0.27601 0.96887 1.00000
Cl2 Cl 0.46219 0.27601 0.46887 1.00000
Cl3 Cl 0.96219 0.72399 0.03113 1.00000
Cl4 Cl 0.53781 0.72399 0.53113 1.00000
O1 O 0.35441 0.99466 0.86934 1.00000
O2 O 0.08783 0.67234 0.61852 1.00000
O3 O 0.90603 0.77948 0.38313 1.00000
O4 O 0.14559 0.99466 0.36934 1.00000
O5 O 0.18064 0.64072 0.37079 1.00000
O6 O 0.81936 0.35928 0.62921 1.00000
O7 O 0.59397 0.77948 0.88313 1.00000
O8 O 0.64559 0.00534 0.13066 1.00000
O9 O 0.58783 0.32766 0.88148 1.00000
O10 O 0.68064 0.35928 0.12921 1.00000
O11 O 0.41217 0.67234 0.11852 1.00000
O12 O 0.85441 0.00534 0.63066 1.00000
O13 O 0.09397 0.22052 0.61687 1.00000
O14 O 0.31936 0.64072 0.87079 1.00000
O15 O 0.91217 0.32766 0.38148 1.00000
O16 O 0.40603 0.22052 0.11687 1.00000
