Pm3(Pr2Th)2
Alexandria ALEXAlex-ID: agm005652732 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1087_spg2
Pm2Pr Pr Th
2023-06-28 05:25:37.125753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652732).
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 agm005652732
data_agm005652732
_cell_length_a 7.22128
_cell_length_b 8.62954
_cell_length_c 11.75888
_cell_angle_alpha 74.88287
_cell_angle_beta 117.49441
_cell_angle_gamma 101.91201
_cell_volume 624.34127
_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 0.91031 0.82877 0.26438 1.00000
Pm2 Pm 0.41507 0.83420 0.94543 1.00000
Pm3 Pm 0.08969 0.17123 0.73562 1.00000
Pm4 Pm 0.58493 0.16580 0.05457 1.00000
Pm5 Pm 0.24857 0.49827 0.49269 1.00000
Pm6 Pm 0.75143 0.50173 0.50731 1.00000
Pr1 Pr 0.40977 0.83025 0.27264 1.00000
Pr2 Pr 0.91397 0.83128 0.94326 1.00000
Pr3 Pr 0.59023 0.16975 0.72736 1.00000
Pr4 Pr 0.08603 0.16872 0.05674 1.00000
Pr5 Pr 0.83581 0.16094 0.39346 1.00000
Pr6 Pr 0.50645 0.52409 0.83482 1.00000
Pr7 Pr 0.16419 0.83906 0.60654 1.00000
Pr8 Pr 0.49355 0.47591 0.16518 1.00000
Th1 Th 0.33616 0.16092 0.39237 1.00000
Th2 Th 0.00787 0.52643 0.84021 1.00000
Th3 Th 0.66384 0.83908 0.60763 1.00000
Th4 Th 0.99213 0.47357 0.15979 1.00000
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