Er2HfBi3
Alexandria ALEXAlex-ID: agm019291973 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1840_spg65
HfBi ErBi
2025-04-13 20:29:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019291973).
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 agm019291973
data_agm019291973
_cell_length_a 7.55183
_cell_length_b 7.55183
_cell_length_c 7.56915
_cell_angle_alpha 80.44053
_cell_angle_beta 99.55947
_cell_angle_gamma 59.89081
_cell_volume 352.15249
_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 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.00000 0.00000 0.00000 1.00000
Er3 Er 0.83893 0.83893 0.50000 1.00000
Er4 Er 0.16107 0.16107 0.50000 1.00000
Hf1 Hf 0.66872 0.66872 0.00000 1.00000
Hf2 Hf 0.33128 0.33128 0.00000 1.00000
Bi1 Bi 0.73610 0.26390 0.23621 1.00000
Bi2 Bi 0.26390 0.73610 0.76379 1.00000
Bi3 Bi 0.08175 0.57691 0.24299 1.00000
Bi4 Bi 0.42309 0.91825 0.24299 1.00000
Bi5 Bi 0.57691 0.08175 0.75701 1.00000
Bi6 Bi 0.91825 0.42309 0.75701 1.00000
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