SrCaLa2Zn
Alexandria ALEXAlex-ID: agm002053258 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_501_spg8
La4Zn3 La4Zn Sr Ca
2021-10-20 03:16:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002053258).
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 agm002053258
data_agm002053258
_cell_length_a 9.26458
_cell_length_b 3.77057
_cell_length_c 13.48555
_cell_angle_alpha 90.00000
_cell_angle_beta 130.60446
_cell_angle_gamma 90.00000
_cell_volume 357.65890
_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 0.36977 0.00000 0.68276 1.00000
Sr2 Sr 0.36980 0.50000 0.18282 1.00000
Zn1 Zn 0.73145 0.00000 0.25617 1.00000
Zn2 Zn 0.73146 0.50000 0.75614 1.00000
Ca1 Ca 0.05986 0.00000 0.81960 1.00000
Ca2 Ca 0.05994 0.50000 0.31964 1.00000
La1 La 0.55317 0.00000 0.50821 1.00000
La2 La 0.55307 0.50000 0.00822 1.00000
La3 La 0.87426 0.00000 0.99993 1.00000
La4 La 0.87413 0.50000 0.49994 1.00000
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