La2Er3PuS6
Alexandria ALEXAlex-ID: agm036629926 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_598_spg1
Er2PuS3 La4ErS5 La2Er3S5
2025-04-01 21:47:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036629926).
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 agm036629926
data_agm036629926
_cell_length_a 8.93611
_cell_length_b 8.93611
_cell_length_c 8.00937
_cell_angle_alpha 75.93282
_cell_angle_beta 104.06718
_cell_angle_gamma 154.44219
_cell_volume 267.22190
_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 0.83459 0.16541 0.66856 1.00000
La2 La 0.16541 0.83459 0.33144 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.83295 0.16705 0.16415 1.00000
Er3 Er 0.16705 0.83295 0.83585 1.00000
Pu1 Pu 0.50000 0.50000 0.00000 1.00000
S1 S 0.33136 0.66864 0.93061 1.00000
S2 S 0.66165 0.33835 0.59710 1.00000
S3 S 0.66864 0.33136 0.06939 1.00000
S4 S 0.99433 0.00567 0.25339 1.00000
S5 S 0.00567 0.99433 0.74661 1.00000
S6 S 0.33835 0.66165 0.40290 1.00000
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