PmDy(TmSe2)2
Alexandria ALEXAlex-ID: agm004826331 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
DyTmSe2 PmTmSe2
2022-07-20 16:55:29.198757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004826331).
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 agm004826331
data_agm004826331
_cell_length_a 4.00992
_cell_length_b 7.20334
_cell_length_c 7.00420
_cell_angle_alpha 71.35618
_cell_angle_beta 89.99973
_cell_angle_gamma 89.99969
_cell_volume 191.69827
_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 1.00000 1.00000
Dy1 Dy 0.00000 0.49999 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 1.00000 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
Se1 Se 0.00000 0.76353 0.74077 1.00000
Se2 Se 1.00000 0.23647 0.25923 1.00000
Se3 Se 0.50000 0.76001 0.25112 1.00000
Se4 Se 0.50000 0.23999 0.74888 1.00000
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