U(P3Os)4
Alexandria ALEXAlex-ID: agm006013192 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_67_spg204
U(P3Os)4
2023-08-07 16:46:21.382685
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006013192).
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 agm006013192
data_agm006013192
_cell_length_a 7.01709
_cell_length_b 7.01709
_cell_length_c 7.01709
_cell_angle_alpha 109.47121
_cell_angle_beta 109.47124
_cell_angle_gamma 109.47123
_cell_volume 265.97988
_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 0.00000 0.00000 0.00000 1.00000
P1 P 0.85701 0.35374 0.21075 1.00000
P2 P 0.35374 0.49672 0.14299 1.00000
P3 P 0.78925 0.14299 0.64626 1.00000
P4 P 0.35374 0.21075 0.85701 1.00000
P5 P 0.21075 0.85701 0.35374 1.00000
P6 P 0.64626 0.50328 0.85701 1.00000
P7 P 0.49672 0.14299 0.35374 1.00000
P8 P 0.50328 0.85701 0.64626 1.00000
P9 P 0.64626 0.78925 0.14299 1.00000
P10 P 0.85701 0.64626 0.50328 1.00000
P11 P 0.14299 0.35374 0.49672 1.00000
P12 P 0.14299 0.64626 0.78925 1.00000
Os1 Os 0.00000 0.50000 0.00000 1.00000
Os2 Os 0.50000 0.00000 0.00000 1.00000
Os3 Os 0.50000 0.50000 0.50000 1.00000
Os4 Os 0.00000 0.00000 0.50000 1.00000
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