Er6Hf
Alexandria ALEXAlex-ID: agm012321785 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_374_spg2
Hf Er
2024-05-29 01:04:35.054435
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012321785).
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 agm012321785
data_agm012321785
_cell_length_a 7.68411
_cell_length_b 6.91686
_cell_length_c 10.92180
_cell_angle_alpha 129.64892
_cell_angle_beta 114.85005
_cell_angle_gamma 76.95596
_cell_volume 404.82795
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.70864 0.14087 0.57166 1.00000
Er3 Er 0.29136 0.85913 0.42834 1.00000
Er4 Er 0.00000 0.50000 0.00000 1.00000
Er5 Er 0.84366 0.56914 0.27591 1.00000
Er6 Er 0.15634 0.43086 0.72409 1.00000
Er7 Er 0.42919 0.28577 0.13759 1.00000
Er8 Er 0.57081 0.71423 0.86241 1.00000
Er9 Er 0.71295 0.65652 0.57965 1.00000
Er10 Er 0.28705 0.34348 0.42035 1.00000
Er11 Er 0.15413 0.93133 0.71477 1.00000
Er12 Er 0.84587 0.06867 0.28523 1.00000
Hf1 Hf 0.43199 0.76851 0.13527 1.00000
Hf2 Hf 0.56801 0.23149 0.86473 1.00000
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