Ac4H8Cl
Alexandria ALEXAlex-ID: agm098044760 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1169_spg1
AcH2Cl AcH2
2025-06-16 01:02:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098044760).
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 agm098044760
data_agm098044760
_cell_length_a 4.16876
_cell_length_b 7.81681
_cell_length_c 8.86037
_cell_angle_alpha 126.51368
_cell_angle_beta 90.00094
_cell_angle_gamma 90.00103
_cell_volume 232.05459
_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 0.26927 0.90999 0.94441 1.00000
Ac2 Ac 0.26922 0.94032 0.47463 1.00000
Ac3 Ac 0.76921 0.48429 0.99282 1.00000
Ac4 Ac 0.76921 0.44328 0.52001 1.00000
H1 H 0.26921 0.19238 0.37645 1.00000
H2 H 0.26925 0.18527 0.84103 1.00000
H3 H 0.76921 0.74234 0.34659 1.00000
H4 H 0.76926 0.70213 0.86515 1.00000
H5 H 0.26925 0.54711 0.19877 1.00000
H6 H 0.76921 0.20183 0.61639 1.00000
H7 H 0.26920 0.74122 0.10160 1.00000
H8 H 0.26921 0.68388 0.59771 1.00000
Cl1 Cl 0.76930 0.22598 0.12445 1.00000
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