Ho6Mg5Tl
Alexandria ALEXAlex-ID: agm006111302 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
Ho3Mg2 HoMg HoMgTl
2023-08-31 12:04:26.748873
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111302).
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 agm006111302
data_agm006111302
_cell_length_a 5.33177
_cell_length_b 7.52606
_cell_length_c 8.45975
_cell_angle_alpha 89.99951
_cell_angle_beta 71.63162
_cell_angle_gamma 89.99844
_cell_volume 322.17062
_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
Mg1 Mg 0.66697 0.50000 0.66606 1.00000
Mg2 Mg 0.32897 1.00000 0.34206 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.67103 0.00000 0.65794 1.00000
Mg5 Mg 0.33303 0.50000 0.33394 1.00000
Ho1 Ho 0.83310 0.74750 0.33381 1.00000
Ho2 Ho 0.83309 0.25250 0.33381 1.00000
Ho3 Ho 0.50001 0.25118 0.00000 1.00000
Ho4 Ho 0.49999 0.74882 1.00000 1.00000
Ho5 Ho 0.16691 0.74750 0.66619 1.00000
Ho6 Ho 0.16690 0.25250 0.66619 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
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