ErZr(BiPd)2
Alexandria ALEXAlex-ID: agm012881116 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_472_spg160
ZrBi ErBiPd ZrPd3 ZrBi2
2025-04-15 23:33:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012881116).
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
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# CIF generated by HEAS from Alexandria entry agm012881116
data_agm012881116
_cell_length_a 8.12830
_cell_length_b 8.12830
_cell_length_c 8.12830
_cell_angle_alpha 33.43181
_cell_angle_beta 33.43181
_cell_angle_gamma 33.43181
_cell_volume 145.16714
_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 0.33341 0.33341 0.33341 1.00000
Zr1 Zr 0.83326 0.83326 0.83326 1.00000
Bi1 Bi 0.08424 0.08424 0.08424 1.00000
Bi2 Bi 0.58263 0.58263 0.58263 1.00000
Pd1 Pd 0.20649 0.20649 0.20649 1.00000
Pd2 Pd 0.71026 0.71026 0.71026 1.00000
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