PrSm4Tm
Alexandria ALEXAlex-ID: agm070103473 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_645_spg2
Sm2Tm7 PrSm4 Pr
2025-04-15 02:37:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070103473).
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 agm070103473
data_agm070103473
_cell_length_a 6.25316
_cell_length_b 6.25316
_cell_length_c 10.23217
_cell_angle_alpha 66.00897
_cell_angle_beta 113.99103
_cell_angle_gamma 146.29419
_cell_volume 200.99362
_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 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.16611 0.83389 0.32907 1.00000
Sm2 Sm 0.83389 0.16611 0.67093 1.00000
Sm3 Sm 0.16626 0.83374 0.83690 1.00000
Sm4 Sm 0.83374 0.16626 0.16310 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
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