Cs3(InAs)4
Alexandria ALEXAlex-ID: agm005708456 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_136_spg12
Cs3In3As4 In
2023-07-01 23:33:05.688052
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708456).
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 agm005708456
data_agm005708456
_cell_length_a 4.44223
_cell_length_b 6.65297
_cell_length_c 13.73720
_cell_angle_alpha 81.38956
_cell_angle_beta 80.69505
_cell_angle_gamma 89.92406
_cell_volume 396.02313
_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 0.65369 0.07182 0.69429 1.00000
Cs2 Cs 0.34628 0.92820 0.30571 1.00000
Cs3 Cs 0.99998 0.99999 0.00001 1.00000
In1 In 0.55356 0.56564 0.89234 1.00000
In2 In 0.44641 0.43437 0.10765 1.00000
In3 In 0.79780 0.42709 0.40516 1.00000
In4 In 0.20218 0.57296 0.59484 1.00000
As1 As 0.10143 0.46183 0.79703 1.00000
As2 As 0.25562 0.24417 0.49003 1.00000
As3 As 0.74436 0.75587 0.50996 1.00000
As4 As 0.89854 0.53820 0.20297 1.00000
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