ErAlZnGe2
Alexandria ALEXAlex-ID: agm022708293 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1646_spg12
Er(AlGe)2 Al3Zn Er4Zn5Ge6 Ge
2024-12-30 21:07:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022708293).
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 agm022708293
data_agm022708293
_cell_length_a 7.92753
_cell_length_b 7.92753
_cell_length_c 7.19201
_cell_angle_alpha 63.39373
_cell_angle_beta 116.60627
_cell_angle_gamma 149.26465
_cell_volume 204.57054
_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 0.24994 0.75006 0.75145 1.00000
Er2 Er 0.75006 0.24994 0.24855 1.00000
Al1 Al 0.93341 0.06659 0.76116 1.00000
Al2 Al 0.06659 0.93341 0.23884 1.00000
Zn1 Zn 0.57019 0.42981 0.74121 1.00000
Zn2 Zn 0.42981 0.57019 0.25879 1.00000
Ge1 Ge 0.62690 0.37310 0.46225 1.00000
Ge2 Ge 0.37310 0.62690 0.53775 1.00000
Ge3 Ge 0.12553 0.87447 0.96245 1.00000
Ge4 Ge 0.87447 0.12553 0.03755 1.00000
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