Ho5Er5Th2
Alexandria ALEXAlex-ID: agm005646510 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_28_spg12
HoEr5 Ho2Th
2023-06-19 06:13:12.610435
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646510).
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 agm005646510
data_agm005646510
_cell_length_a 5.60523
_cell_length_b 11.79791
_cell_length_c 6.57765
_cell_angle_alpha 93.46123
_cell_angle_beta 64.78085
_cell_angle_gamma 76.25790
_cell_volume 375.73743
_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 0.00000 0.50000 0.50000 1.00000
Ho2 Ho 0.65613 0.79549 0.89224 1.00000
Ho3 Ho 0.32497 0.96402 0.38603 1.00000
Ho4 Ho 0.67503 0.03598 0.61397 1.00000
Ho5 Ho 0.34387 0.20451 0.10776 1.00000
Er1 Er 0.66691 0.29088 0.37529 1.00000
Er2 Er 0.00685 0.24790 0.73840 1.00000
Er3 Er 0.99315 0.75210 0.26160 1.00000
Er4 Er 0.33309 0.70912 0.62471 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.32552 0.46183 0.88713 1.00000
Th2 Th 0.67448 0.53817 0.11287 1.00000
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