Pu4V
Alexandria ALEXAlex-ID: agm010141597 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_659_spg74
V Pu
2024-03-19 21:32:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010141597).
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
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# CIF generated by HEAS from Alexandria entry agm010141597
data_agm010141597
_cell_length_a 7.78053
_cell_length_b 7.78053
_cell_length_c 7.78053
_cell_angle_alpha 146.31551
_cell_angle_beta 136.69920
_cell_angle_gamma 55.95337
_cell_volume 177.86054
_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
Pu1 Pu 0.00644 0.84888 0.65756 1.00000
Pu2 Pu 0.79616 0.34819 0.94797 1.00000
Pu3 Pu 0.33482 0.28229 0.55253 1.00000
Pu4 Pu 0.43644 0.47026 0.46618 1.00000
Pu5 Pu 0.27025 0.71771 0.05253 1.00000
Pu6 Pu 0.99592 0.52974 0.96618 1.00000
Pu7 Pu 0.59979 0.65181 0.44797 1.00000
Pu8 Pu 0.80868 0.15112 0.15756 1.00000
V1 V 0.60791 0.93072 0.17719 1.00000
V2 V 0.24648 0.06928 0.67719 1.00000
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