Cs2Hf(AlAs2)2
Alexandria ALEXAlex-ID: agm024989387 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_134_spg12
HfAs Cs3Al3As4 HfAs2
2024-12-10 10:42:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024989387).
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
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# CIF generated by HEAS from Alexandria entry agm024989387
data_agm024989387
_cell_length_a 7.77234
_cell_length_b 7.77234
_cell_length_c 8.65528
_cell_angle_alpha 74.87275
_cell_angle_beta 105.12725
_cell_angle_gamma 149.85885
_cell_volume 252.77436
_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
Cs1 Cs 0.13120 0.86880 0.04935 1.00000
Cs2 Cs 0.86880 0.13120 0.95065 1.00000
Hf1 Hf 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.67026 0.32974 0.47599 1.00000
Al2 Al 0.32974 0.67026 0.52401 1.00000
As1 As 0.19557 0.80443 0.65896 1.00000
As2 As 0.80443 0.19557 0.34104 1.00000
As3 As 0.51576 0.48424 0.28911 1.00000
As4 As 0.48424 0.51576 0.71089 1.00000
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