SmY2NpP4
Alexandria ALEXAlex-ID: agm045150288 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
YNp2P3 SmP YP
2025-03-02 01:24:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045150288).
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 agm045150288
data_agm045150288
_cell_length_a 8.03650
_cell_length_b 8.03650
_cell_length_c 8.03650
_cell_angle_alpha 119.89117
_cell_angle_beta 120.03179
_cell_angle_gamma 90.06677
_cell_volume 367.22957
_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
Sm1 Sm 0.00000 0.50000 0.00000 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.50000 0.00000 0.00000 1.00000
Y2 Y 0.50000 0.50000 0.50000 1.00000
Y3 Y 0.50000 0.00000 0.50000 1.00000
Y4 Y 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.00000 0.50000 0.50000 1.00000
Np2 Np 0.50000 0.50000 0.00000 1.00000
P1 P 0.25736 0.25356 0.00380 1.00000
P2 P 0.74976 0.25356 0.49620 1.00000
P3 P 0.25024 0.74644 0.50380 1.00000
P4 P 0.74264 0.74644 0.99620 1.00000
P5 P 0.25192 0.74703 0.99511 1.00000
P6 P 0.25192 0.25681 0.50489 1.00000
P7 P 0.74808 0.74319 0.49511 1.00000
P8 P 0.74808 0.25297 0.00489 1.00000
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