Pm4YAs5
Alexandria ALEXAlex-ID: agm061962279 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_34_spg71
YAs PmAs
2025-01-03 23:23:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm061962279).
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 agm061962279
data_agm061962279
_cell_length_a 11.15569
_cell_length_b 11.15569
_cell_length_c 11.15569
_cell_angle_alpha 158.22615
_cell_angle_beta 148.97423
_cell_angle_gamma 38.22465
_cell_volume 265.05908
_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
Pm1 Pm 0.40044 0.40044 0.00000 1.00000
Pm2 Pm 0.80109 0.80109 0.00000 1.00000
Pm3 Pm 0.19891 0.19891 0.00000 1.00000
Pm4 Pm 0.59956 0.59956 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
As1 As 0.09757 0.59757 0.50000 1.00000
As2 As 0.29973 0.79973 0.50000 1.00000
As3 As 0.70027 0.20027 0.50000 1.00000
As4 As 0.50000 0.00000 0.50000 1.00000
As5 As 0.90243 0.40243 0.50000 1.00000
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