Ba3(AgAs2)2
Alexandria ALEXAlex-ID: agm005607935 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_300_spg12
Ba3As4 BaAgAs BaAs3
2023-06-26 17:27:18.923050
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607935).
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 agm005607935
data_agm005607935
_cell_length_a 4.77297
_cell_length_b 6.52199
_cell_length_c 9.05013
_cell_angle_alpha 98.12705
_cell_angle_beta 89.99998
_cell_angle_gamma 111.46383
_cell_volume 259.14316
_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
Ba1 Ba 0.65983 0.31965 0.66919 1.00000
Ba2 Ba 0.00000 0.00000 0.00000 1.00000
Ba3 Ba 0.34017 0.68035 0.33081 1.00000
Ag1 Ag 0.61809 0.23617 0.27591 1.00000
Ag2 Ag 0.38191 0.76383 0.72409 1.00000
As1 As 0.72057 0.44113 0.04043 1.00000
As2 As 0.27943 0.55887 0.95957 1.00000
As3 As 0.93691 0.87382 0.61416 1.00000
As4 As 0.06309 0.12618 0.38584 1.00000
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