Ho3TmMg3
Alexandria ALEXAlex-ID: agm005993330 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_610_spg65
HoTmMg HoMg
2023-08-06 06:54:13.355673
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993330).
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 agm005993330
data_agm005993330
_cell_length_a 7.67409
_cell_length_b 7.67409
_cell_length_c 6.89863
_cell_angle_alpha 89.97874
_cell_angle_beta 89.97874
_cell_angle_gamma 92.50841
_cell_volume 405.88283
_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 0.99999 0.99999 0.75380 1.00000
Ho2 Ho 0.49977 0.00019 0.25165 1.00000
Ho3 Ho 0.00019 0.49977 0.25165 1.00000
Ho4 Ho 0.50023 0.99981 0.74835 1.00000
Ho5 Ho 0.99981 0.50023 0.74835 1.00000
Ho6 Ho 0.00001 0.00001 0.24620 1.00000
Tm1 Tm 0.31004 0.31004 0.99942 1.00000
Tm2 Tm 0.68996 0.68996 0.00058 1.00000
Mg1 Mg 0.27443 0.27443 0.49987 1.00000
Mg2 Mg 0.31753 0.68247 0.50000 1.00000
Mg3 Mg 0.68247 0.31753 0.50000 1.00000
Mg4 Mg 0.25589 0.74411 1.00000 1.00000
Mg5 Mg 0.74411 0.25589 0.00000 1.00000
Mg6 Mg 0.72557 0.72557 0.50013 1.00000
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