Ac2PmYS6
Alexandria ALEXAlex-ID: agm004957879 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
AcPmS3 AcYS3
2022-08-03 03:01:32.178191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004957879).
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 agm004957879
data_agm004957879
_cell_length_a 7.32309
_cell_length_b 7.32312
_cell_length_c 7.56069
_cell_angle_alpha 61.03288
_cell_angle_beta 61.03269
_cell_angle_gamma 59.99830
_cell_volume 291.09670
_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
Ac1 Ac 0.52860 0.52859 0.41424 1.00000
Ac2 Ac 0.02750 0.02751 0.91750 1.00000
Pm1 Pm 0.81397 0.81397 0.55807 1.00000
Y1 Y 0.31569 0.31568 0.05293 1.00000
S1 S 0.59926 0.18629 0.26015 1.00000
S2 S 0.18627 0.95430 0.26014 1.00000
S3 S 0.95431 0.59929 0.26014 1.00000
S4 S 0.44649 0.68206 0.76401 1.00000
S5 S 0.68208 0.10741 0.76402 1.00000
S6 S 0.10743 0.44650 0.76401 1.00000
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