Er3Cu11Si4
Alexandria ALEXAlex-ID: agm005281802 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C11_14_spg194
Er3(CuSi)4 Cu
2024-10-08 22:19:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005281802).
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 agm005281802
data_agm005281802
_cell_length_a 8.39697
_cell_length_b 8.39697
_cell_length_c 8.58462
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 524.19940
_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 0.80137 0.19863 0.75000 1.00000
Er2 Er 0.19863 0.80137 0.25000 1.00000
Er3 Er 0.39726 0.19863 0.75000 1.00000
Er4 Er 0.60274 0.80137 0.25000 1.00000
Er5 Er 0.80137 0.60274 0.75000 1.00000
Er6 Er 0.19863 0.39726 0.25000 1.00000
Cu1 Cu 0.85028 0.14972 0.40921 1.00000
Cu2 Cu 0.14972 0.85028 0.59079 1.00000
Cu3 Cu 0.29943 0.14972 0.40921 1.00000
Cu4 Cu 0.14972 0.85028 0.90921 1.00000
Cu5 Cu 0.70057 0.85028 0.59079 1.00000
Cu6 Cu 0.85028 0.14972 0.09079 1.00000
Cu7 Cu 0.85028 0.70057 0.40921 1.00000
Cu8 Cu 0.70057 0.85028 0.90921 1.00000
Cu9 Cu 0.14972 0.29943 0.59079 1.00000
Cu10 Cu 0.29943 0.14972 0.09079 1.00000
Cu11 Cu 0.14972 0.29943 0.90921 1.00000
Cu12 Cu 0.85028 0.70057 0.09079 1.00000
Cu13 Cu 0.43478 0.56522 0.75000 1.00000
Cu14 Cu 0.56522 0.43478 0.25000 1.00000
Cu15 Cu 0.13045 0.56522 0.75000 1.00000
Cu16 Cu 0.86955 0.43478 0.25000 1.00000
Cu17 Cu 0.43478 0.86955 0.75000 1.00000
Cu18 Cu 0.56522 0.13045 0.25000 1.00000
Cu19 Cu 0.66667 0.33333 0.00763 1.00000
Cu20 Cu 0.33333 0.66667 0.99237 1.00000
Cu21 Cu 0.33333 0.66667 0.50763 1.00000
Cu22 Cu 0.66667 0.33333 0.49237 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
Si2 Si 0.00000 0.50000 0.00000 1.00000
Si3 Si 0.50000 0.50000 0.50000 1.00000
Si4 Si 0.50000 0.00000 0.00000 1.00000
Si5 Si 0.00000 0.50000 0.50000 1.00000
Si6 Si 0.50000 0.00000 0.50000 1.00000
Si7 Si 0.00000 0.00000 0.75000 1.00000
Si8 Si 0.00000 0.00000 0.25000 1.00000
