Er6Zn2Pd
Alexandria ALEXAlex-ID: agm005804879 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Er3Zn2Pd Er3Pd Er2Zn
2023-07-10 18:21:50.747316
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804879).
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 agm005804879
data_agm005804879
_cell_length_a 8.36100
_cell_length_b 8.36100
_cell_length_c 8.36100
_cell_angle_alpha 110.19721
_cell_angle_beta 110.93625
_cell_angle_gamma 107.30262
_cell_volume 449.43731
_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 0.56734 0.74296 0.82438 1.00000
Er2 Er 0.43266 0.25704 0.17561 1.00000
Er3 Er 0.08143 0.25704 0.82438 1.00000
Er4 Er 0.91857 0.74296 0.17561 1.00000
Er5 Er 0.80804 0.74121 0.54925 1.00000
Er6 Er 0.19196 0.25879 0.45075 1.00000
Er7 Er 0.19196 0.74121 0.93317 1.00000
Er8 Er 0.80804 0.25879 0.06683 1.00000
Er9 Er 0.71828 0.39384 0.67556 1.00000
Er10 Er 0.28172 0.60616 0.32444 1.00000
Er11 Er 0.28172 0.95728 0.67556 1.00000
Er12 Er 0.71828 0.04272 0.32444 1.00000
Zn1 Zn 0.50000 0.37258 0.87258 1.00000
Zn2 Zn 0.50000 0.62742 0.12742 1.00000
Zn3 Zn 0.63760 0.00000 0.63760 1.00000
Zn4 Zn 0.36240 0.00000 0.36240 1.00000
Pd1 Pd 1.00000 0.50000 0.50000 1.00000
Pd2 Pd 1.00000 1.00000 0.00000 1.00000
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