SmY2PaAs4
Alexandria ALEXAlex-ID: agm090263045 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_222_spg10
Sm3Y2PaAs6 Y5PaAs6 PaAs
2025-06-30 14:59:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090263045).
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 agm090263045
data_agm090263045
_cell_length_a 7.15734
_cell_length_b 7.15734
_cell_length_c 4.14093
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.43657
_cell_volume 200.04066
_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 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.50000 0.00000 0.00000 1.00000
Y2 Y 0.00000 0.50000 0.00000 1.00000
Pa1 Pa 0.50000 0.50000 0.50000 1.00000
As1 As 0.74531 0.25469 0.50000 1.00000
As2 As 0.25469 0.74531 0.50000 1.00000
As3 As 0.74331 0.74331 0.00000 1.00000
As4 As 0.25669 0.25669 0.00000 1.00000
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