Ac20H2N17
Alexandria ALEXAlex-ID: agm006249757 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B17C20_0_spg12
AcH2 Ac AcN
2024-08-26 19:17:49.878194
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006249757).
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 agm006249757
data_agm006249757
_cell_length_a 10.39594
_cell_length_b 10.39594
_cell_length_c 22.09822
_cell_angle_alpha 74.68831
_cell_angle_beta 74.68831
_cell_angle_gamma 21.58522
_cell_volume 846.26833
_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 0.69744 0.69744 0.07777 1.00000
Ac2 Ac 0.11106 0.11106 0.97009 1.00000
Ac3 Ac 0.50217 0.50217 0.87029 1.00000
Ac4 Ac 0.89978 0.89978 0.77793 1.00000
Ac5 Ac 0.29277 0.29277 0.67584 1.00000
Ac6 Ac 0.50769 0.50769 0.62265 1.00000
Ac7 Ac 0.89993 0.89993 0.52286 1.00000
Ac8 Ac 0.70148 0.70148 0.57330 1.00000
Ac9 Ac 0.29852 0.29852 0.42670 1.00000
Ac10 Ac 0.10007 0.10007 0.47714 1.00000
Ac11 Ac 0.49231 0.49231 0.37735 1.00000
Ac12 Ac 0.70723 0.70723 0.32416 1.00000
Ac13 Ac 0.90060 0.90060 0.27440 1.00000
Ac14 Ac 0.10022 0.10022 0.22207 1.00000
Ac15 Ac 0.49783 0.49783 0.12971 1.00000
Ac16 Ac 0.29869 0.29869 0.17743 1.00000
Ac17 Ac 0.88894 0.88894 0.02991 1.00000
Ac18 Ac 0.30256 0.30256 0.92223 1.00000
Ac19 Ac 0.70131 0.70131 0.82257 1.00000
Ac20 Ac 0.09940 0.09940 0.72560 1.00000
H1 H 0.90138 0.90138 0.64888 1.00000
H2 H 0.09862 0.09862 0.35112 1.00000
N1 N 0.90705 0.90705 0.40266 1.00000
N2 N 0.29268 0.29268 0.30246 1.00000
N3 N 0.69799 0.69799 0.20281 1.00000
N4 N 0.10422 0.10422 0.10403 1.00000
N5 N 0.89578 0.89578 0.89597 1.00000
N6 N 0.30201 0.30201 0.79719 1.00000
N7 N 0.09974 0.09974 0.85095 1.00000
N8 N 0.70732 0.70732 0.69754 1.00000
N9 N 0.50218 0.50218 0.75301 1.00000
N10 N 0.09295 0.09295 0.59734 1.00000
N11 N 0.29842 0.29842 0.55191 1.00000
N12 N 0.70158 0.70158 0.44809 1.00000
N13 N 0.50000 0.50000 0.50000 1.00000
N14 N 0.49782 0.49782 0.24699 1.00000
N15 N 0.90026 0.90026 0.14905 1.00000
N16 N 0.30733 0.30733 0.04710 1.00000
N17 N 0.69267 0.69267 0.95290 1.00000
