Ho2MgSe3
Alexandria ALEXAlex-ID: agm005756876 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
Ho5Se6 MgSe Mg
2023-08-29 17:12:50.026094
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756876).
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 agm005756876
data_agm005756876
_cell_length_a 3.98283
_cell_length_b 3.98257
_cell_length_c 9.11283
_cell_angle_alpha 102.62743
_cell_angle_beta 102.62768
_cell_angle_gamma 90.00118
_cell_volume 137.46510
_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 0.11031 0.11150 0.22599 1.00000
Ho2 Ho 0.75824 0.75944 0.52192 1.00000
Mg1 Mg 0.43411 0.43641 0.87396 1.00000
Se1 Se 0.93413 0.93586 0.87396 1.00000
Se2 Se 0.27768 0.27885 0.56068 1.00000
Se3 Se 0.59089 0.59206 0.18724 1.00000
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