Pr2Nd3SmSe6
Alexandria ALEXAlex-ID: agm034234562 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_498_spg12
NdSm4Se5 PrNd4Se5 Pr4NdSe5
2025-01-16 04:26:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034234562).
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 agm034234562
data_agm034234562
_cell_length_a 9.45992
_cell_length_b 9.45992
_cell_length_c 8.47490
_cell_angle_alpha 76.99859
_cell_angle_beta 103.00141
_cell_angle_gamma 154.13934
_cell_volume 321.87661
_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 0.16795 0.83205 0.33352 1.00000
Pr2 Pr 0.83205 0.16795 0.66648 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.83235 0.16765 0.16606 1.00000
Nd3 Nd 0.16765 0.83235 0.83394 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.66410 0.33590 0.58384 1.00000
Se2 Se 0.33385 0.66615 0.91907 1.00000
Se3 Se 0.33590 0.66410 0.41616 1.00000
Se4 Se 0.00047 0.99953 0.74670 1.00000
Se5 Se 0.99953 0.00047 0.25330 1.00000
Se6 Se 0.66615 0.33385 0.08093 1.00000
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