Ce2Pr(HfAs2)3
Alexandria ALEXAlex-ID: agm034608165 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_376_spg12
CePr5As6 CeHfAs2 HfAs
2024-12-02 20:45:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034608165).
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 agm034608165
data_agm034608165
_cell_length_a 9.02501
_cell_length_b 9.02501
_cell_length_c 8.08294
_cell_angle_alpha 76.53930
_cell_angle_beta 103.46070
_cell_angle_gamma 154.33140
_cell_volume 276.93299
_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 0.16689 0.83311 0.33225 1.00000
Ce2 Ce 0.83311 0.16689 0.66775 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
Hf2 Hf 0.16489 0.83511 0.83177 1.00000
Hf3 Hf 0.83511 0.16489 0.16823 1.00000
As1 As 0.67371 0.32629 0.07019 1.00000
As2 As 0.33877 0.66123 0.40381 1.00000
As3 As 0.32629 0.67371 0.92981 1.00000
As4 As 0.00457 0.99543 0.73251 1.00000
As5 As 0.99543 0.00457 0.26749 1.00000
As6 As 0.66123 0.33877 0.59619 1.00000
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