Ho3ErTh2
Alexandria ALEXAlex-ID: agm003409358 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1055_spg11
Ho2Th Er2Th
2023-03-28 20:17:39.984588
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003409358).
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 agm003409358
data_agm003409358
_cell_length_a 3.55755
_cell_length_b 9.98481
_cell_length_c 10.59936
_cell_angle_alpha 90.04081
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 376.50497
_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 0.75000 0.13076 0.58235 1.00000
Ho2 Ho 0.25000 0.86924 0.41765 1.00000
Ho3 Ho 0.75000 0.62383 0.25079 1.00000
Ho4 Ho 0.25000 0.37617 0.74921 1.00000
Ho5 Ho 0.25000 0.36853 0.08214 1.00000
Ho6 Ho 0.75000 0.63147 0.91786 1.00000
Er1 Er 0.25000 0.87588 0.75073 1.00000
Er2 Er 0.75000 0.12412 0.24927 1.00000
Th1 Th 0.25000 0.37716 0.41710 1.00000
Th2 Th 0.75000 0.62284 0.58290 1.00000
Th3 Th 0.75000 0.12203 0.91694 1.00000
Th4 Th 0.25000 0.87797 0.08306 1.00000
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