ErCd5Ag6
Alexandria ALEXAlex-ID: agm003676089 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
CdAg ErCdAg2
2022-04-09 19:58:17.853675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676089).
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 agm003676089
data_agm003676089
_cell_length_a 8.55991
_cell_length_b 4.78282
_cell_length_c 7.46823
_cell_angle_alpha 71.32430
_cell_angle_beta 79.68433
_cell_angle_gamma 55.99754
_cell_volume 240.12751
_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
Cd1 Cd 0.50000 0.16269 0.67462 1.00000
Cd2 Cd 0.00000 0.33421 0.33158 1.00000
Cd3 Cd 0.50000 0.50000 0.00000 1.00000
Cd4 Cd 1.00000 0.66579 0.66842 1.00000
Cd5 Cd 0.50000 0.83731 0.32538 1.00000
Ag1 Ag 0.74379 0.08608 0.34086 1.00000
Ag2 Ag 0.25621 0.57306 0.34086 1.00000
Ag3 Ag 0.25480 0.24472 0.00000 1.00000
Ag4 Ag 0.74520 0.75528 1.00000 1.00000
Ag5 Ag 0.74379 0.42694 0.65914 1.00000
Ag6 Ag 0.25621 0.91392 0.65914 1.00000
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