Cs2Zn2As2H
Alexandria ALEXAlex-ID: agm004545274 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_15_spg12
CsAsH8 Cs2ZnH4 CsZn4As3 CsZnAs
2022-06-22 04:10:23.794772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004545274).
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 agm004545274
data_agm004545274
_cell_length_a 4.35535
_cell_length_b 6.55903
_cell_length_c 7.55430
_cell_angle_alpha 74.49146
_cell_angle_beta 73.24560
_cell_angle_gamma 70.60908
_cell_volume 191.36712
_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 0.56074 0.20934 0.66917 1.00000
Cs2 Cs 0.43926 0.79066 0.33083 1.00000
Zn1 Zn 0.17079 0.72556 0.93285 1.00000
Zn2 Zn 0.82921 0.27444 0.06715 1.00000
As1 As 0.21145 0.37732 0.19977 1.00000
As2 As 0.78855 0.62268 0.80023 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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