MoAs
Alexandria ALEXAlex-ID: agm005481453 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1692_spg8
Mo2As3 Mo5As4
2023-03-18 06:01:01.719487
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005481453).
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 agm005481453
data_agm005481453
_cell_length_a 5.75879
_cell_length_b 5.75879
_cell_length_c 6.00918
_cell_angle_alpha 71.81777
_cell_angle_beta 71.81777
_cell_angle_gamma 32.55849
_cell_volume 101.42340
_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
Mo1 Mo 0.98928 0.98928 0.98938 1.00000
Mo2 Mo 0.08867 0.08867 0.41982 1.00000
Mo3 Mo 0.70640 0.70640 0.05286 1.00000
As1 As 0.65508 0.65508 0.68844 1.00000
As2 As 0.33467 0.33467 0.27336 1.00000
As3 As 0.39257 0.39257 0.74280 1.00000
