HoEr4Sc7
Alexandria ALEXAlex-ID: agm003668082 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
HoErSc4 Er Sc
2022-04-27 15:36:40.131502
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668082).
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 agm003668082
data_agm003668082
_cell_length_a 5.50320
_cell_length_b 11.23613
_cell_length_c 6.26545
_cell_angle_alpha 87.07634
_cell_angle_beta 63.94905
_cell_angle_gamma 75.82476
_cell_volume 336.75152
_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 0.00000 0.00000 1.00000
Er1 Er 0.64575 0.22668 0.48181 1.00000
Er2 Er 0.35425 0.77332 0.51819 1.00000
Er3 Er 0.69837 0.70486 0.89840 1.00000
Er4 Er 0.30163 0.29514 0.10160 1.00000
Sc1 Sc 0.79277 0.91450 0.49996 1.00000
Sc2 Sc 0.20723 0.08550 0.50004 1.00000
Sc3 Sc 0.03134 0.61690 0.32042 1.00000
Sc4 Sc 0.96866 0.38310 0.67958 1.00000
Sc5 Sc 0.35309 0.51745 0.77638 1.00000
Sc6 Sc 0.50000 0.00000 0.00000 1.00000
Sc7 Sc 0.64691 0.48255 0.22362 1.00000
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