Sr3(CaLa2)2
Alexandria ALEXAlex-ID: agm013116333 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_140_spg12
Sr Ca La
2024-06-28 22:51:50.377977
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013116333).
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 agm013116333
data_agm013116333
_cell_length_a 7.61750
_cell_length_b 7.61750
_cell_length_c 13.93961
_cell_angle_alpha 71.57147
_cell_angle_beta 71.57147
_cell_angle_gamma 30.42352
_cell_volume 386.99570
_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 0.35948 0.35948 0.53229 1.00000
Sr2 Sr 0.00000 0.00000 0.00000 1.00000
Sr3 Sr 0.64052 0.64052 0.46771 1.00000
Ca1 Ca 0.32829 0.32829 0.24383 1.00000
Ca2 Ca 0.67171 0.67171 0.75617 1.00000
La1 La 0.69771 0.69771 0.10861 1.00000
La2 La 0.97260 0.97260 0.71318 1.00000
La3 La 0.02740 0.02740 0.28682 1.00000
La4 La 0.30229 0.30229 0.89139 1.00000
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