PmSm(DySe2)2
Alexandria ALEXAlex-ID: agm034358193 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
PmDy4Se5 PmSm4Se5 Pm3DySe4
2025-02-26 02:54:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034358193).
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 agm034358193
data_agm034358193
_cell_length_a 8.26262
_cell_length_b 8.26262
_cell_length_c 8.26262
_cell_angle_alpha 119.93342
_cell_angle_beta 120.06621
_cell_angle_gamma 90.00036
_cell_volume 398.87642
_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
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.00000 0.50000 0.50000 1.00000
Sm1 Sm 0.50000 0.00000 0.00000 1.00000
Sm2 Sm 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Dy3 Dy 0.00000 0.50000 0.00000 1.00000
Dy4 Dy 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.24679 0.23893 0.49214 1.00000
Se2 Se 0.24679 0.75466 0.00786 1.00000
Se3 Se 0.75321 0.24534 0.99214 1.00000
Se4 Se 0.75321 0.76107 0.50786 1.00000
Se5 Se 0.76034 0.75394 0.00640 1.00000
Se6 Se 0.24754 0.75394 0.49360 1.00000
Se7 Se 0.75246 0.24606 0.50640 1.00000
Se8 Se 0.23966 0.24606 0.99360 1.00000
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