La3Ce2SmAs6
Alexandria ALEXAlex-ID: agm032196863 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_447_spg12
La4CeAs5 Ce2SmAs3 CeSm2As3
2024-12-02 21:08:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032196863).
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 agm032196863
data_agm032196863
_cell_length_a 9.60855
_cell_length_b 9.60855
_cell_length_c 8.60377
_cell_angle_alpha 77.08729
_cell_angle_beta 102.91271
_cell_angle_gamma 154.16464
_cell_volume 336.94075
_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 0.50000 0.50000 1.00000
La2 La 0.16507 0.83493 0.33188 1.00000
La3 La 0.83493 0.16507 0.66812 1.00000
Ce1 Ce 0.83290 0.16710 0.16547 1.00000
Ce2 Ce 0.16710 0.83290 0.83453 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
As1 As 0.66687 0.33313 0.07640 1.00000
As2 As 0.66731 0.33269 0.59155 1.00000
As3 As 0.33313 0.66687 0.92360 1.00000
As4 As 0.00341 0.99659 0.75755 1.00000
As5 As 0.99659 0.00341 0.24245 1.00000
As6 As 0.33269 0.66731 0.40845 1.00000
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