Sr(LaI4)2
Alexandria ALEXAlex-ID: agm002189490 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_17_spg12
LaI3 SrI2
2018-06-18 02:24:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002189490).
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 agm002189490
data_agm002189490
_cell_length_a 6.49185
_cell_length_b 8.71517
_cell_length_c 8.71517
_cell_angle_alpha 111.25828
_cell_angle_beta 98.69794
_cell_angle_gamma 98.69794
_cell_volume 442.73863
_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
I1 I 0.40859 0.93243 0.67161 1.00000
I2 I 0.40859 0.67161 0.93243 1.00000
I3 I 0.80924 0.62633 0.62633 1.00000
I4 I 0.00000 0.76726 0.23274 1.00000
I5 I 0.00000 0.23274 0.76726 1.00000
I6 I 0.19076 0.37367 0.37367 1.00000
I7 I 0.59141 0.32839 0.06757 1.00000
I8 I 0.59141 0.06757 0.32839 1.00000
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
La1 La 0.50000 0.31500 0.68500 1.00000
La2 La 0.50000 0.68500 0.31500 1.00000
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