Pm3Y8Th3
Alexandria ALEXAlex-ID: agm005690794 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
Y2Th3 PmY2
2023-06-29 12:24:34.148519
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690794).
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 agm005690794
data_agm005690794
_cell_length_a 5.69665
_cell_length_b 9.72740
_cell_length_c 9.72740
_cell_angle_alpha 102.71441
_cell_angle_beta 72.98742
_cell_angle_gamma 72.98742
_cell_volume 464.52655
_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 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.81029 0.18958 0.18958 1.00000
Pm3 Pm 0.18971 0.81042 0.81042 1.00000
Y1 Y 0.65794 0.11867 0.56574 1.00000
Y2 Y 0.34206 0.88133 0.43426 1.00000
Y3 Y 0.65794 0.56574 0.11867 1.00000
Y4 Y 0.34206 0.43426 0.88133 1.00000
Y5 Y 0.83897 0.76437 0.55748 1.00000
Y6 Y 0.16103 0.23563 0.44252 1.00000
Y7 Y 0.83897 0.55748 0.76437 1.00000
Y8 Y 0.16103 0.44252 0.23563 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 0.00000 0.81517 0.18483 1.00000
Th3 Th 1.00000 0.18483 0.81517 1.00000
Get direct link