U3BeP2
Alexandria ALEXAlex-ID: agm040721291 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1912_spg62
U2P UBe13 UP
2025-04-15 05:02:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040721291).
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 agm040721291
data_agm040721291
_cell_length_a 3.68885
_cell_length_b 9.81054
_cell_length_c 11.25424
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 407.28677
_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 0.75000 0.91995 0.03749 1.00000
U2 U 0.25000 0.08005 0.96251 1.00000
U3 U 0.25000 0.41995 0.46251 1.00000
U4 U 0.75000 0.58005 0.53749 1.00000
U5 U 0.75000 0.24849 0.19685 1.00000
U6 U 0.25000 0.75151 0.80315 1.00000
U7 U 0.25000 0.74849 0.30315 1.00000
U8 U 0.75000 0.25151 0.69685 1.00000
U9 U 0.75000 0.91234 0.37508 1.00000
U10 U 0.25000 0.08766 0.62492 1.00000
U11 U 0.25000 0.41234 0.12492 1.00000
U12 U 0.75000 0.58766 0.87508 1.00000
Be1 Be 0.75000 0.63776 0.12911 1.00000
Be2 Be 0.25000 0.36224 0.87089 1.00000
Be3 Be 0.25000 0.13776 0.37089 1.00000
Be4 Be 0.75000 0.86224 0.62911 1.00000
P1 P 0.75000 0.19820 0.45155 1.00000
P2 P 0.25000 0.80180 0.54845 1.00000
P3 P 0.25000 0.69820 0.04845 1.00000
P4 P 0.75000 0.30180 0.95155 1.00000
P5 P 0.75000 0.52405 0.29159 1.00000
P6 P 0.25000 0.47595 0.70841 1.00000
P7 P 0.25000 0.02405 0.20841 1.00000
P8 P 0.75000 0.97595 0.79159 1.00000
