La3CeHo3S8
Alexandria ALEXAlex-ID: agm004697019 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_3_spg12
La4(HoS2)11 La3CeS4 Ho5S6 CeS
2023-02-20 08:23:36.455981
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004697019).
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 agm004697019
data_agm004697019
_cell_length_a 7.97245
_cell_length_b 7.97250
_cell_length_c 8.09935
_cell_angle_alpha 119.48175
_cell_angle_beta 90.00128
_cell_angle_gamma 119.99914
_cell_volume 366.84285
_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 0.00000 0.00000 0.00000 1.00000
La2 La 0.00000 0.50000 0.00000 1.00000
La3 La 0.50000 0.50000 0.00000 1.00000
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.50000 0.00000 0.50000 1.00000
Ho2 Ho 0.50000 0.50000 0.50000 1.00000
Ho3 Ho 0.00000 0.50000 0.50000 1.00000
S1 S 0.25696 0.51391 0.27087 1.00000
S2 S 0.74304 0.48609 0.72913 1.00000
S3 S 0.74921 0.49842 0.26422 1.00000
S4 S 0.25079 0.50158 0.73578 1.00000
S5 S 0.74920 0.01501 0.26421 1.00000
S6 S 0.25080 0.98499 0.73579 1.00000
S7 S 0.26580 0.01501 0.26421 1.00000
S8 S 0.73420 0.98499 0.73579 1.00000
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