PrSm3Ge4
Alexandria ALEXAlex-ID: agm047160482 · Space group: Pmm2 (#25)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1150_spg47
SmGe PrGe
2024-11-07 11:05:16.744231
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047160482).
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 agm047160482
data_agm047160482
_cell_length_a 4.43802
_cell_length_b 4.05519
_cell_length_c 11.02360
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 198.39198
_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 0.13865 1.00000
Sm1 Sm 0.00000 0.50000 0.63820 1.00000
Sm2 Sm 0.00000 0.00000 0.36374 1.00000
Sm3 Sm 0.50000 0.00000 0.86101 1.00000
Ge1 Ge 0.50000 0.50000 0.41964 1.00000
Ge2 Ge 0.00000 0.50000 0.91543 1.00000
Ge3 Ge 0.00000 0.00000 0.07946 1.00000
Ge4 Ge 0.50000 0.00000 0.58386 1.00000
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