U3AsP2
Alexandria ALEXAlex-ID: agm005653193 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
U4As3P UP
2023-08-24 06:21:10.966013
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653193).
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 agm005653193
data_agm005653193
_cell_length_a 3.99045
_cell_length_b 3.99045
_cell_length_c 8.90854
_cell_angle_alpha 102.94272
_cell_angle_beta 102.94262
_cell_angle_gamma 89.99790
_cell_volume 134.55271
_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
U1 U 0.93411 0.93587 0.87396 1.00000
U2 U 0.26410 0.26541 0.53358 1.00000
U3 U 0.60447 0.60578 0.21434 1.00000
As1 As 0.43409 0.43589 0.87396 1.00000
P1 P 0.09960 0.10089 0.20457 1.00000
P2 P 0.76898 0.77028 0.54334 1.00000
Get direct link