Pa2VRe3
Alexandria ALEXAlex-ID: agm039397296 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_159_spg194
Pa2Re VRe PaRe2
2025-04-15 10:48:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039397296).
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 agm039397296
data_agm039397296
_cell_length_a 5.56372
_cell_length_b 5.56372
_cell_length_c 8.24576
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 221.05082
_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
Pa1 Pa 0.66667 0.33333 0.43081 1.00000
Pa2 Pa 0.33333 0.66667 0.56919 1.00000
Pa3 Pa 0.33333 0.66667 0.93081 1.00000
Pa4 Pa 0.66667 0.33333 0.06919 1.00000
V1 V 0.00000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.00000 1.00000
Re1 Re 0.16839 0.33678 0.25000 1.00000
Re2 Re 0.33678 0.16839 0.75000 1.00000
Re3 Re 0.83161 0.66322 0.75000 1.00000
Re4 Re 0.16839 0.83161 0.25000 1.00000
Re5 Re 0.83161 0.16839 0.75000 1.00000
Re6 Re 0.66322 0.83161 0.25000 1.00000
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