Pr4SmN4
Alexandria ALEXAlex-ID: agm006035537 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_31_spg12
Pr6N5 Pr SmN
2023-08-10 23:27:26.412611
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006035537).
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 agm006035537
data_agm006035537
_cell_length_a 3.66572
_cell_length_b 6.39067
_cell_length_c 8.24016
_cell_angle_alpha 75.94720
_cell_angle_beta 77.14818
_cell_angle_gamma 73.33337
_cell_volume 176.95214
_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 0.70527 0.40212 0.18735 1.00000
Pr2 Pr 0.89396 0.82930 0.38278 1.00000
Pr3 Pr 0.29473 0.59788 0.81265 1.00000
Pr4 Pr 0.10604 0.17070 0.61722 1.00000
Sm1 Sm 0.50000 0.00000 0.00000 1.00000
N1 N 0.30481 0.08968 0.30071 1.00000
N2 N 0.69519 0.91032 0.69929 1.00000
N3 N 0.89813 0.29642 0.90732 1.00000
N4 N 0.10187 0.70358 0.09268 1.00000
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