Ce4Er3ZrAs8
Alexandria ALEXAlex-ID: agm044659760 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_63_spg12
CeEr5As6 CeZrAs2 CeAs
2025-02-06 21:35:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044659760).
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 agm044659760
data_agm044659760
_cell_length_a 8.23014
_cell_length_b 8.23014
_cell_length_c 8.23014
_cell_angle_alpha 60.06930
_cell_angle_beta 60.06930
_cell_angle_gamma 60.06930
_cell_volume 394.80937
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.00000 0.50000 0.50000 1.00000
Ce3 Ce 0.50000 0.50000 0.00000 1.00000
Ce4 Ce 0.50000 0.00000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Er2 Er 0.00000 0.50000 0.00000 1.00000
Er3 Er 0.50000 0.00000 0.00000 1.00000
Zr1 Zr 0.50000 0.50000 0.50000 1.00000
As1 As 0.74277 0.25239 0.74277 1.00000
As2 As 0.74277 0.74277 0.25239 1.00000
As3 As 0.75251 0.75251 0.75251 1.00000
As4 As 0.25239 0.74277 0.74277 1.00000
As5 As 0.74761 0.25723 0.25723 1.00000
As6 As 0.24749 0.24749 0.24749 1.00000
As7 As 0.25723 0.25723 0.74761 1.00000
As8 As 0.25723 0.74761 0.25723 1.00000
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