PmY5Th
Alexandria ALEXAlex-ID: agm005730867 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_533_spg15
Pm2Y7 Y2Th PmY2
2023-07-15 10:04:21.633661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005730867).
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 agm005730867
data_agm005730867
_cell_length_a 6.18829
_cell_length_b 9.36201
_cell_length_c 8.76707
_cell_angle_alpha 85.90522
_cell_angle_beta 77.52251
_cell_angle_gamma 70.70087
_cell_volume 468.05374
_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 0.51240 0.97521 0.75000 1.00000
Pm2 Pm 0.48760 0.02479 0.25000 1.00000
Y1 Y 0.38875 0.62737 0.85397 1.00000
Y2 Y 0.46112 0.31306 0.53964 1.00000
Y3 Y 0.01612 0.37263 0.35397 1.00000
Y4 Y 0.85319 0.29363 0.75000 1.00000
Y5 Y 0.22581 0.31306 0.96036 1.00000
Y6 Y 0.77419 0.68694 0.03964 1.00000
Y7 Y 0.14681 0.70637 0.25000 1.00000
Y8 Y 0.98388 0.62737 0.64603 1.00000
Y9 Y 0.53888 0.68694 0.46036 1.00000
Y10 Y 0.61125 0.37263 0.14603 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.00000 0.00000 0.50000 1.00000
Get direct link