Pr7(TmSc)2
Alexandria ALEXAlex-ID: agm005570045 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_242_spg12
Pr PrTm2 Sc
2023-06-05 01:56:24.817061
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570045).
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 agm005570045
data_agm005570045
_cell_length_a 6.13430
_cell_length_b 8.00413
_cell_length_c 8.00413
_cell_angle_alpha 92.86482
_cell_angle_beta 75.61500
_cell_angle_gamma 75.61502
_cell_volume 366.12158
_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 0.19286 0.05506 0.58025 1.00000
Pr2 Pr 0.80714 0.41975 0.94494 1.00000
Pr3 Pr 0.80714 0.94494 0.41975 1.00000
Pr4 Pr 0.19286 0.58025 0.05506 1.00000
Pr5 Pr 0.00000 0.00000 0.00000 1.00000
Pr6 Pr 0.79477 0.42442 0.42442 1.00000
Pr7 Pr 0.20523 0.57558 0.57558 1.00000
Tm1 Tm 0.58369 0.78752 0.78752 1.00000
Tm2 Tm 0.41631 0.21248 0.21248 1.00000
Sc1 Sc 0.50000 0.78040 0.21960 1.00000
Sc2 Sc 0.50000 0.21960 0.78040 1.00000
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