U3As3P
Alexandria ALEXAlex-ID: agm003545448 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_339_spg12
U3P4 U3As4
2022-04-04 04:30:38.150093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545448).
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 agm003545448
data_agm003545448
_cell_length_a 7.29656
_cell_length_b 7.29656
_cell_length_c 7.07389
_cell_angle_alpha 91.89291
_cell_angle_beta 91.89291
_cell_angle_gamma 120.71436
_cell_volume 323.06011
_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 0.95977 0.95977 0.23046 1.00000
U2 U 0.83275 0.50833 0.74219 1.00000
U3 U 0.50833 0.83275 0.74219 1.00000
U4 U 0.16725 0.49167 0.25781 1.00000
U5 U 0.49167 0.16725 0.25781 1.00000
U6 U 0.04023 0.04023 0.76954 1.00000
As1 As 0.65272 0.65272 0.44532 1.00000
As2 As 0.18074 0.81926 0.50000 1.00000
As3 As 0.81926 0.18074 0.50000 1.00000
As4 As 0.19659 0.80341 0.00000 1.00000
As5 As 0.80341 0.19659 0.00000 1.00000
As6 As 0.34728 0.34728 0.55468 1.00000
P1 P 0.66909 0.66909 0.98045 1.00000
P2 P 0.33091 0.33091 0.01955 1.00000
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