Pa2VGeN5
Alexandria ALEXAlex-ID: agm005149643 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
Pa7N12 VN Ge Ge3N4
2023-01-25 20:09:24.527589
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149643).
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 agm005149643
data_agm005149643
_cell_length_a 3.22519
_cell_length_b 7.01329
_cell_length_c 9.71193
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.29320
_cell_volume 213.79046
_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 0.85706 0.71412 0.80426 1.00000
Pa2 Pa 0.12001 0.24002 0.68259 1.00000
Pa3 Pa 0.14294 0.28588 0.30426 1.00000
Pa4 Pa 0.87999 0.75998 0.18259 1.00000
V1 V 0.78476 0.56953 0.51087 1.00000
V2 V 0.21524 0.43047 0.01087 1.00000
Ge1 Ge 0.54828 0.09656 0.95723 1.00000
Ge2 Ge 0.45172 0.90344 0.45723 1.00000
N1 N 0.36455 0.72911 0.00475 1.00000
N2 N 0.68444 0.36888 0.86899 1.00000
N3 N 0.49422 0.98845 0.78205 1.00000
N4 N 0.28736 0.57472 0.65648 1.00000
N5 N 0.94708 0.89415 0.55675 1.00000
N6 N 0.63545 0.27089 0.50475 1.00000
N7 N 0.31556 0.63112 0.36899 1.00000
N8 N 0.50578 0.01155 0.28205 1.00000
N9 N 0.71264 0.42528 0.15648 1.00000
N10 N 0.05292 0.10585 0.05675 1.00000
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