AcPmY5
Alexandria ALEXAlex-ID: agm005756346 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_381_spg15
Pm2Y7 PmY8 Ac
2023-07-15 08:47:41.612726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756346).
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 agm005756346
data_agm005756346
_cell_length_a 7.08441
_cell_length_b 8.70154
_cell_length_c 8.70154
_cell_angle_alpha 98.91285
_cell_angle_beta 102.23701
_cell_angle_gamma 102.23700
_cell_volume 500.96839
_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 0.75000 0.34617 0.15383 1.00000
Ac2 Ac 0.25000 0.65383 0.84617 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.53168 0.89805 0.65328 1.00000
Y2 Y 0.63990 0.77697 0.23406 1.00000
Y3 Y 0.03168 0.15328 0.39805 1.00000
Y4 Y 0.75000 0.61108 0.88892 1.00000
Y5 Y 0.86010 0.26594 0.72303 1.00000
Y6 Y 0.13990 0.73406 0.27697 1.00000
Y7 Y 0.25000 0.38892 0.11108 1.00000
Y8 Y 0.96832 0.84672 0.60195 1.00000
Y9 Y 0.36010 0.22303 0.76594 1.00000
Y10 Y 0.46832 0.10195 0.34672 1.00000
Get direct link