Cs3Pm(YSe3)2
Alexandria ALEXAlex-ID: agm034290712 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
CsYSe2 CsPmSe2
2025-01-25 04:15:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034290712).
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 agm034290712
data_agm034290712
_cell_length_a 10.65261
_cell_length_b 10.65261
_cell_length_c 9.74598
_cell_angle_alpha 67.75896
_cell_angle_beta 112.24104
_cell_angle_gamma 156.67997
_cell_volume 403.79214
_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 0.50000 0.50000 1.00000
Cs2 Cs 0.16634 0.83366 0.83241 1.00000
Cs3 Cs 0.83366 0.16634 0.16759 1.00000
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.16780 0.83220 0.33494 1.00000
Y2 Y 0.83220 0.16780 0.66506 1.00000
Se1 Se 0.65485 0.34515 0.12221 1.00000
Se2 Se 0.31898 0.68102 0.45297 1.00000
Se3 Se 0.34515 0.65485 0.87779 1.00000
Se4 Se 0.98412 0.01588 0.77948 1.00000
Se5 Se 0.01588 0.98412 0.22052 1.00000
Se6 Se 0.68102 0.31898 0.54703 1.00000
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