HoAgSe2
Alexandria ALEXAlex-ID: agm005490359 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1063_spg122
HoAgSe2
2023-03-19 04:32:20.833171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005490359).
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 agm005490359
data_agm005490359
_cell_length_a 7.38697
_cell_length_b 7.38697
_cell_length_c 5.72552
_cell_angle_alpha 67.52465
_cell_angle_beta 67.52465
_cell_angle_gamma 44.37981
_cell_volume 199.02143
_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
Ho1 Ho 0.99291 0.99291 0.04909 1.00000
Ho2 Ho 0.23889 0.23889 0.30623 1.00000
Ag1 Ag 0.78065 0.78065 0.68634 1.00000
Ag2 Ag 0.53768 0.53768 0.39402 1.00000
Se1 Se 0.00779 0.00779 0.52449 1.00000
Se2 Se 0.46692 0.46692 0.02070 1.00000
Se3 Se 0.76068 0.76068 0.23151 1.00000
Se4 Se 0.22117 0.22117 0.81148 1.00000
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