Cs4YNp3Se8
Alexandria ALEXAlex-ID: agm004717907 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_70_spg166
CsNpSe2 CsYSe2
2023-02-05 09:42:12.831536
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004717907).
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 agm004717907
data_agm004717907
_cell_length_a 8.64022
_cell_length_b 9.73960
_cell_length_c 8.64078
_cell_angle_alpha 116.35577
_cell_angle_beta 119.99786
_cell_angle_gamma 90.00000
_cell_volume 540.70484
_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
Cs1 Cs 0.50000 0.00000 0.00000 1.00000
Cs2 Cs 0.50000 0.00000 0.50000 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Cs4 Cs 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.00000 0.50000 0.00000 1.00000
Np1 Np 0.50000 0.50000 0.00000 1.00000
Np2 Np 0.50000 0.50000 0.50000 1.00000
Np3 Np 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.22743 0.68573 0.95868 1.00000
Se2 Se 0.22740 0.68573 0.45481 1.00000
Se3 Se 0.27204 0.31644 0.54408 1.00000
Se4 Se 0.73125 0.68573 0.95868 1.00000
Se5 Se 0.26875 0.31427 0.04132 1.00000
Se6 Se 0.72796 0.68356 0.45592 1.00000
Se7 Se 0.77260 0.31427 0.54519 1.00000
Se8 Se 0.77257 0.31427 0.04132 1.00000
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