Sr3Hf(ZrAs3)2
Alexandria ALEXAlex-ID: agm033735089 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Sr2HfZrAs4 SrZrAs2
2024-10-26 09:01:41.997215
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033735089).
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 agm033735089
data_agm033735089
_cell_length_a 9.39988
_cell_length_b 9.39988
_cell_length_c 8.48936
_cell_angle_alpha 72.98649
_cell_angle_beta 72.98649
_cell_angle_gamma 24.81302
_cell_volume 300.32674
_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
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
Sr2 Sr 0.16720 0.16720 0.16610 1.00000
Sr3 Sr 0.83280 0.83280 0.83390 1.00000
Hf1 Hf 0.50000 0.50000 0.00000 1.00000
Zr1 Zr 0.16672 0.16672 0.66636 1.00000
Zr2 Zr 0.83328 0.83328 0.33364 1.00000
As1 As 0.65739 0.65739 0.89744 1.00000
As2 As 0.32523 0.32523 0.56379 1.00000
As3 As 0.34261 0.34261 0.10256 1.00000
As4 As 0.99232 0.99232 0.22696 1.00000
As5 As 0.00768 0.00768 0.77304 1.00000
As6 As 0.67477 0.67477 0.43621 1.00000
Get direct link