Pr7Tm2
Alexandria ALEXAlex-ID: agm009010253 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_160_spg2
PrTm2 Pr
2024-05-10 13:33:27.156244
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009010253).
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 agm009010253
data_agm009010253
_cell_length_a 8.22693
_cell_length_b 8.22693
_cell_length_c 10.99663
_cell_angle_alpha 77.10690
_cell_angle_beta 77.10690
_cell_angle_gamma 25.67542
_cell_volume 313.91714
_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 0.66558 0.66558 0.61395 1.00000
Pr2 Pr 0.33442 0.33442 0.38605 1.00000
Pr3 Pr 0.33471 0.33471 0.72458 1.00000
Pr4 Pr 0.66529 0.66529 0.27542 1.00000
Pr5 Pr 0.66403 0.66403 0.94544 1.00000
Pr6 Pr 0.33597 0.33597 0.05456 1.00000
Pr7 Pr 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.00034 0.00034 0.83523 1.00000
Tm2 Tm 0.99966 0.99966 0.16477 1.00000
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