Pr4Nd4Se4O7
Alexandria ALEXAlex-ID: agm018004563 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B4C4D7_0_spg8
Pr4NdSe5 Nd2SeO2 Pr2SeO2 Pr
2025-01-19 23:15:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018004563).
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
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# CIF generated by HEAS from Alexandria entry agm018004563
data_agm018004563
_cell_length_a 8.08202
_cell_length_b 8.08202
_cell_length_c 9.96532
_cell_angle_alpha 52.53173
_cell_angle_beta 127.46827
_cell_angle_gamma 120.02301
_cell_volume 401.17984
_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 0.18444 0.81556 0.20224 1.00000
Pr2 Pr 0.69021 0.30979 0.20258 1.00000
Pr3 Pr 0.17379 0.30949 0.20332 1.00000
Pr4 Pr 0.69051 0.82621 0.20332 1.00000
Nd1 Nd 0.80701 0.69464 0.77946 1.00000
Nd2 Nd 0.30536 0.19299 0.77946 1.00000
Nd3 Nd 0.30077 0.69923 0.76820 1.00000
Nd4 Nd 0.80694 0.19306 0.77973 1.00000
Se1 Se 0.99079 0.50255 0.48891 1.00000
Se2 Se 0.49745 0.00921 0.48891 1.00000
Se3 Se 0.49744 0.50256 0.49227 1.00000
Se4 Se 0.99803 0.00197 0.49784 1.00000
O1 O 0.01373 0.98627 0.86191 1.00000
O2 O 0.51391 0.48609 0.86746 1.00000
O3 O 0.51496 0.97680 0.86768 1.00000
O4 O 0.02320 0.48504 0.86768 1.00000
O5 O 0.97464 0.52928 0.11282 1.00000
O6 O 0.47072 0.02536 0.11282 1.00000
O7 O 0.97476 0.02524 0.11408 1.00000
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