La4Pm3ThS8
Alexandria ALEXAlex-ID: agm079084597 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_146_spg166
La3PmS4 LaPm4S5 PmTh3S4
2025-01-10 08:26:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079084597).
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 agm079084597
data_agm079084597
_cell_length_a 8.18719
_cell_length_b 8.18719
_cell_length_c 8.18719
_cell_angle_alpha 60.02707
_cell_angle_beta 60.02707
_cell_angle_gamma 60.02707
_cell_volume 388.29015
_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 0.50000 0.00000 0.50000 1.00000
La2 La 0.00000 0.50000 0.50000 1.00000
La3 La 0.50000 0.50000 0.00000 1.00000
La4 La 0.50000 0.50000 0.50000 1.00000
Pm1 Pm 0.00000 0.50000 0.00000 1.00000
Pm2 Pm 0.50000 0.00000 0.00000 1.00000
Pm3 Pm 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
S1 S 0.75285 0.24131 0.75285 1.00000
S2 S 0.24715 0.75869 0.24715 1.00000
S3 S 0.24131 0.75285 0.75285 1.00000
S4 S 0.75869 0.24715 0.24715 1.00000
S5 S 0.75285 0.75285 0.24131 1.00000
S6 S 0.24715 0.24715 0.75869 1.00000
S7 S 0.24724 0.24724 0.24724 1.00000
S8 S 0.75276 0.75276 0.75276 1.00000
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