Ac(LaS)4
Alexandria ALEXAlex-ID: agm006044595 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_11_spg87
LaS Ac
2023-08-11 00:58:04.740400
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006044595).
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 agm006044595
data_agm006044595
_cell_length_a 5.85823
_cell_length_b 7.23906
_cell_length_c 7.23409
_cell_angle_alpha 80.50991
_cell_angle_beta 66.11487
_cell_angle_gamma 66.13227
_cell_volume 256.52165
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
La1 La 0.60464 0.58932 0.20140 1.00000
La2 La 0.39536 0.41068 0.79860 1.00000
La3 La 0.19375 0.20148 0.41102 1.00000
La4 La 0.80625 0.79852 0.58898 1.00000
S1 S 0.89772 0.40817 0.79639 1.00000
S2 S 0.10228 0.59183 0.20361 1.00000
S3 S 0.30590 0.79613 0.59206 1.00000
S4 S 0.69410 0.20387 0.40794 1.00000
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