HoEr2Th3
Alexandria ALEXAlex-ID: agm015915420 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5113_spg12
HoErTh2 Er2Th Th
2025-04-14 01:43:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015915420).
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 agm015915420
data_agm015915420
_cell_length_a 9.38779
_cell_length_b 9.38779
_cell_length_c 10.07419
_cell_angle_alpha 57.56383
_cell_angle_beta 122.43617
_cell_angle_gamma 148.96424
_cell_volume 380.27258
_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 0.58352 0.41648 0.45878 1.00000
Ho2 Ho 0.41648 0.58352 0.54122 1.00000
Er1 Er 0.08329 0.91671 0.20755 1.00000
Er2 Er 0.91671 0.08329 0.79245 1.00000
Er3 Er 0.24998 0.75002 0.12524 1.00000
Er4 Er 0.75002 0.24998 0.87476 1.00000
Th1 Th 0.91665 0.08335 0.29091 1.00000
Th2 Th 0.08335 0.91665 0.70909 1.00000
Th3 Th 0.41643 0.58357 0.04188 1.00000
Th4 Th 0.58357 0.41643 0.95812 1.00000
Th5 Th 0.25008 0.74992 0.62458 1.00000
Th6 Th 0.74992 0.25008 0.37542 1.00000
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