TbHoEr2Sc5
Alexandria ALEXAlex-ID: agm005162575 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
HoErSc4 Tb2HoSc5 Er Sc
2023-01-19 13:53:58.298477
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005162575).
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 agm005162575
data_agm005162575
_cell_length_a 5.31464
_cell_length_b 9.62310
_cell_length_c 10.28043
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.02994
_cell_volume 505.33200
_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
Tb1 Tb 0.79190 0.58381 0.50962 1.00000
Tb2 Tb 0.20810 0.41619 0.00962 1.00000
Ho1 Ho 0.58225 0.16449 0.95871 1.00000
Ho2 Ho 0.41775 0.83551 0.45871 1.00000
Er1 Er 0.88731 0.77462 0.82376 1.00000
Er2 Er 0.10751 0.21502 0.73282 1.00000
Er3 Er 0.11269 0.22538 0.32376 1.00000
Er4 Er 0.89249 0.78498 0.23282 1.00000
Sc1 Sc 0.39889 0.79779 0.02302 1.00000
Sc2 Sc 0.71371 0.42742 0.79907 1.00000
Sc3 Sc 0.47804 0.95608 0.73424 1.00000
Sc4 Sc 0.29895 0.59790 0.71035 1.00000
Sc5 Sc 0.97902 0.95804 0.53239 1.00000
Sc6 Sc 0.60111 0.20221 0.52302 1.00000
Sc7 Sc 0.28629 0.57258 0.29907 1.00000
Sc8 Sc 0.52196 0.04392 0.23424 1.00000
Sc9 Sc 0.70105 0.40210 0.21035 1.00000
Sc10 Sc 0.02098 0.04196 0.03239 1.00000
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