Ce3Ho(ZrAs3)2
Alexandria ALEXAlex-ID: agm034746063 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
CeHo5As6 CeZrAs2 CeAs
2024-11-03 09:15:31.776380
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034746063).
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 agm034746063
data_agm034746063
_cell_length_a 9.12182
_cell_length_b 9.12182
_cell_length_c 8.15001
_cell_angle_alpha 76.73924
_cell_angle_beta 76.73924
_cell_angle_gamma 25.72836
_cell_volume 286.12065
_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 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.83584 0.83584 0.82906 1.00000
Ce3 Ce 0.16416 0.16416 0.17094 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Zr1 Zr 0.16974 0.16974 0.66216 1.00000
Zr2 Zr 0.83026 0.83026 0.33784 1.00000
As1 As 0.33126 0.33126 0.57206 1.00000
As2 As 0.33185 0.33185 0.09827 1.00000
As3 As 0.66874 0.66874 0.42794 1.00000
As4 As 0.99297 0.99297 0.25803 1.00000
As5 As 0.00703 0.00703 0.74197 1.00000
As6 As 0.66815 0.66815 0.90173 1.00000
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