La2Nd3SmAs6
Alexandria ALEXAlex-ID: agm033751389 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_562_spg12
Nd3SmAs4 LaAs
2024-12-02 20:46:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033751389).
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 agm033751389
data_agm033751389
_cell_length_a 9.60947
_cell_length_b 9.60947
_cell_length_c 8.59879
_cell_angle_alpha 77.06954
_cell_angle_beta 102.93046
_cell_angle_gamma 154.15013
_cell_volume 336.96023
_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 0.83380 0.16620 0.16732 1.00000
La2 La 0.16620 0.83380 0.83268 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.16629 0.83371 0.33345 1.00000
Nd3 Nd 0.83371 0.16629 0.66655 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
As1 As 0.66471 0.33529 0.08509 1.00000
As2 As 0.66640 0.33360 0.58038 1.00000
As3 As 0.33529 0.66471 0.91491 1.00000
As4 As 0.99905 0.00095 0.75169 1.00000
As5 As 0.00095 0.99905 0.24831 1.00000
As6 As 0.33360 0.66640 0.41962 1.00000
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