Pr8Th2Mn
Alexandria ALEXAlex-ID: agm012941908 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_3342_spg2
Pr Th Mn
2024-05-30 04:04:44.331168
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012941908).
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
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# CIF generated by HEAS from Alexandria entry agm012941908
data_agm012941908
_cell_length_a 6.45900
_cell_length_b 7.30308
_cell_length_c 8.85255
_cell_angle_alpha 105.75913
_cell_angle_beta 110.88091
_cell_angle_gamma 90.03462
_cell_volume 373.28003
_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
Pr1 Pr 0.06568 0.58202 0.90507 1.00000
Pr2 Pr 0.42845 0.47698 0.30726 1.00000
Pr3 Pr 0.27044 0.98076 0.33910 1.00000
Pr4 Pr 0.62626 0.85238 0.70990 1.00000
Pr5 Pr 0.45478 0.38313 0.71690 1.00000
Pr6 Pr 0.84376 0.26558 0.12802 1.00000
Pr7 Pr 0.24384 0.05863 0.91377 1.00000
Pr8 Pr 0.69038 0.77337 0.14263 1.00000
Th1 Th 0.03817 0.66695 0.51307 1.00000
Th2 Th 0.86493 0.18220 0.52195 1.00000
Mn1 Mn 0.84525 0.21029 0.79072 1.00000
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