Sm(TcAs)2
Alexandria ALEXAlex-ID: agm034894405 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_199_spg5
Sm(Tc2As)2 Tc2As3 SmAs
2024-11-03 08:22:58.476112
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034894405).
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 agm034894405
data_agm034894405
_cell_length_a 12.08101
_cell_length_b 12.08101
_cell_length_c 4.04680
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 161.00085
_cell_volume 192.28319
_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
Sm1 Sm 0.65269 0.34731 0.75000 1.00000
Sm2 Sm 0.34731 0.65269 0.25000 1.00000
Tc1 Tc 0.96225 0.03775 0.25000 1.00000
Tc2 Tc 0.53301 0.46699 0.25000 1.00000
Tc3 Tc 0.03775 0.96225 0.75000 1.00000
Tc4 Tc 0.46699 0.53301 0.75000 1.00000
As1 As 0.25032 0.74968 0.75000 1.00000
As2 As 0.74968 0.25032 0.25000 1.00000
As3 As 0.10428 0.89572 0.25000 1.00000
As4 As 0.89572 0.10428 0.75000 1.00000
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