Ac5GePb2N
Alexandria ALEXAlex-ID: agm005149647 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
Ac5Pb3N Ac4Ge3 AcN
2023-01-17 04:42:24.863470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149647).
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 agm005149647
data_agm005149647
_cell_length_a 4.78037
_cell_length_b 10.36143
_cell_length_c 13.25362
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.33718
_cell_volume 638.76666
_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
Ac1 Ac 0.35512 0.71025 0.00368 1.00000
Ac2 Ac 0.67035 0.34070 0.87553 1.00000
Ac3 Ac 0.49855 0.99710 0.78039 1.00000
Ac4 Ac 0.28584 0.57169 0.68406 1.00000
Ac5 Ac 0.95788 0.91576 0.51647 1.00000
Ac6 Ac 0.64488 0.28975 0.50368 1.00000
Ac7 Ac 0.32965 0.65930 0.37553 1.00000
Ac8 Ac 0.50145 0.00290 0.28039 1.00000
Ac9 Ac 0.71416 0.42831 0.18406 1.00000
Ac10 Ac 0.04212 0.08424 0.01647 1.00000
Ge1 Ge 0.79596 0.59192 0.52194 1.00000
Ge2 Ge 0.20404 0.40808 0.02194 1.00000
Pb1 Pb 0.87792 0.75584 0.81265 1.00000
Pb2 Pb 0.10889 0.21777 0.68737 1.00000
Pb3 Pb 0.12208 0.24416 0.31265 1.00000
Pb4 Pb 0.89111 0.78223 0.18737 1.00000
N1 N 0.55165 0.10329 0.94187 1.00000
N2 N 0.44835 0.89671 0.44187 1.00000
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