LaS7
Alexandria ALEXAlex-ID: agm018086397 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7_250_spg1
LaS2 LaS10
2024-12-20 18:34:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018086397).
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 agm018086397
data_agm018086397
_cell_length_a 7.70061
_cell_length_b 7.96485
_cell_length_c 9.48375
_cell_angle_alpha 122.33977
_cell_angle_beta 109.63790
_cell_angle_gamma 79.67828
_cell_volume 462.86943
_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
La1 La 0.08225 0.69475 0.79544 1.00000
La2 La 0.08644 0.37780 0.25065 1.00000
S1 S 0.82818 0.01083 0.06351 1.00000
S2 S 0.59419 0.13635 0.45180 1.00000
S3 S 0.26662 0.34467 0.84746 1.00000
S4 S 0.67497 0.50145 0.17363 1.00000
S5 S 0.14900 0.77355 0.54895 1.00000
S6 S 0.95898 0.31569 0.48275 1.00000
S7 S 0.57936 0.34716 0.92093 1.00000
S8 S 0.18164 0.55164 0.05572 1.00000
S9 S 0.69274 0.39694 0.50060 1.00000
S10 S 0.33115 0.56949 0.59323 1.00000
S11 S 0.64578 0.96697 0.83772 1.00000
S12 S 0.31534 0.06084 0.04621 1.00000
S13 S 0.33283 0.06157 0.26899 1.00000
S14 S 0.78054 0.89028 0.66242 1.00000
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