Ho5Er8Th
Alexandria ALEXAlex-ID: agm006114101 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_156_spg5
Ho7Er2 HoEr5 Ho2Th
2023-08-11 03:44:49.653194
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114101).
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 agm006114101
data_agm006114101
_cell_length_a 8.36512
_cell_length_b 8.36507
_cell_length_c 8.36512
_cell_angle_alpha 110.59289
_cell_angle_beta 107.25086
_cell_angle_gamma 110.59272
_cell_volume 450.09366
_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 0.03369 0.32739 0.13175 1.00000
Ho2 Ho 0.86825 0.90195 0.19565 1.00000
Ho3 Ho 0.80435 0.67261 0.70630 1.00000
Ho4 Ho 0.50000 0.00000 0.50000 1.00000
Ho5 Ho 0.29370 0.09805 0.96631 1.00000
Er1 Er 0.15440 0.73652 0.07623 1.00000
Er2 Er 0.92377 0.07817 0.66030 1.00000
Er3 Er 0.73972 0.25700 0.34370 1.00000
Er4 Er 0.65630 0.39602 0.91330 1.00000
Er5 Er 0.51729 0.60398 0.26028 1.00000
Er6 Er 0.58213 0.92183 0.84560 1.00000
Er7 Er 0.33970 0.26348 0.41787 1.00000
Er8 Er 0.08670 0.74300 0.48271 1.00000
Th1 Th 0.25000 0.50000 0.75000 1.00000
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