Ce2Pr(HoAs2)3
Alexandria ALEXAlex-ID: agm024996838 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_521_spg12
CePrAs2 CeHo5As6 CeAs
2024-12-02 20:43:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024996838).
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 agm024996838
data_agm024996838
_cell_length_a 9.33499
_cell_length_b 9.33499
_cell_length_c 8.34658
_cell_angle_alpha 77.03417
_cell_angle_beta 102.96583
_cell_angle_gamma 154.14860
_cell_volume 308.62936
_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 0.83514 0.16486 0.67036 1.00000
Ce2 Ce 0.16486 0.83514 0.32964 1.00000
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.16749 0.83251 0.83527 1.00000
Ho3 Ho 0.83251 0.16749 0.16473 1.00000
As1 As 0.66930 0.33070 0.58796 1.00000
As2 As 0.66646 0.33354 0.07906 1.00000
As3 As 0.33070 0.66930 0.41204 1.00000
As4 As 0.99809 0.00191 0.24002 1.00000
As5 As 0.00191 0.99809 0.75998 1.00000
As6 As 0.33354 0.66646 0.92094 1.00000
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