Pr3Tm2
Alexandria ALEXAlex-ID: agm014694523 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_136_spg44
PrTm2 Pr
2025-04-16 17:21:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014694523).
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 agm014694523
data_agm014694523
_cell_length_a 9.62409
_cell_length_b 9.62409
_cell_length_c 9.62409
_cell_angle_alpha 158.17604
_cell_angle_beta 149.45622
_cell_angle_gamma 37.85451
_cell_volume 168.17671
_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 0.00000 0.50000 0.50000 1.00000
Pr2 Pr 0.19752 0.69752 0.50000 1.00000
Pr3 Pr 0.80248 0.30248 0.50000 1.00000
Tm1 Tm 0.59906 0.09906 0.50000 1.00000
Tm2 Tm 0.40094 0.90094 0.50000 1.00000
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