NdSm2(HoSe2)3
Alexandria ALEXAlex-ID: agm034993239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
NdHoSe2 SmHo4Se5 Sm4HoSe5
2025-01-21 22:01:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034993239).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm034993239
data_agm034993239
_cell_length_a 9.25208
_cell_length_b 9.25208
_cell_length_c 8.31220
_cell_angle_alpha 76.04365
_cell_angle_beta 103.95635
_cell_angle_gamma 154.41329
_cell_volume 297.74794
_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
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.83389 0.16611 0.16788 1.00000
Sm2 Sm 0.16611 0.83389 0.83212 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.83442 0.16558 0.66707 1.00000
Ho3 Ho 0.16558 0.83442 0.33293 1.00000
Se1 Se 0.32919 0.67081 0.42246 1.00000
Se2 Se 0.66445 0.33555 0.08931 1.00000
Se3 Se 0.67081 0.32919 0.57754 1.00000
Se4 Se 0.99776 0.00224 0.75976 1.00000
Se5 Se 0.00224 0.99776 0.24024 1.00000
Se6 Se 0.33555 0.66445 0.91069 1.00000
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