SrAl2Cl
Alexandria ALEXAlex-ID: agm002787224 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_430_spg122
SrAl4 SrCl2
2016-01-13 10:00:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002787224).
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
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# CIF generated by HEAS from Alexandria entry agm002787224
data_agm002787224
_cell_length_a 4.03300
_cell_length_b 4.03300
_cell_length_c 13.88135
_cell_angle_alpha 81.64727
_cell_angle_beta 81.64727
_cell_angle_gamma 90.00000
_cell_volume 220.96543
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.75000 0.25000 0.50000 1.00000
Al1 Al 0.63787 0.12500 0.25000 1.00000
Al2 Al 0.11213 0.62500 0.25000 1.00000
Al3 Al 0.37500 0.36213 0.75000 1.00000
Al4 Al 0.87500 0.88787 0.75000 1.00000
Cl1 Cl 0.50000 0.50000 0.00000 1.00000
Cl2 Cl 0.25000 0.75000 0.50000 1.00000
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