Pm4Y4Th3
Alexandria ALEXAlex-ID: agm005703353 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_105_spg12
Pm5Y Y2Th3 PmY2
2023-07-02 04:04:21.929730
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703353).
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 agm005703353
data_agm005703353
_cell_length_a 3.58440
_cell_length_b 5.79919
_cell_length_c 18.22317
_cell_angle_alpha 99.15032
_cell_angle_beta 101.36018
_cell_angle_gamma 90.00123
_cell_volume 366.45804
_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 0.69391 0.09709 0.19413 1.00000
Pm2 Pm 0.06138 0.28048 0.56144 1.00000
Pm3 Pm 0.93862 0.71956 0.43859 1.00000
Pm4 Pm 0.30605 0.90293 0.80586 1.00000
Y1 Y 0.59115 0.54615 0.09171 1.00000
Y2 Y 0.40880 0.45388 0.90828 1.00000
Y3 Y 0.62284 0.81109 0.62238 1.00000
Y4 Y 0.37714 0.18894 0.37764 1.00000
Th1 Th 0.26335 0.63184 0.26361 1.00000
Th2 Th 0.73664 0.36818 0.73639 1.00000
Th3 Th 0.99997 0.00000 0.99998 1.00000
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