Ac6Ge2P3Br
Alexandria ALEXAlex-ID: agm004594091 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
AcGe Ac6P5Br Ac2GeBr2 Ac4Ge3
2022-06-28 18:05:49.743712
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004594091).
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 agm004594091
data_agm004594091
_cell_length_a 4.46013
_cell_length_b 9.14737
_cell_length_c 10.10685
_cell_angle_alpha 103.34139
_cell_angle_beta 102.74716
_cell_angle_gamma 90.00000
_cell_volume 390.76364
_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 0.32662 0.91814 0.65324 1.00000
Ac2 Ac 0.66678 0.58733 0.33356 1.00000
Ac3 Ac 0.67338 0.08186 0.34676 1.00000
Ac4 Ac 0.99898 0.27221 0.99797 1.00000
Ac5 Ac 0.00102 0.72779 0.00203 1.00000
Ac6 Ac 0.33322 0.41267 0.66644 1.00000
Ge1 Ge 0.83706 0.67362 0.67413 1.00000
Ge2 Ge 0.16294 0.32638 0.32587 1.00000
P1 P 0.50000 0.50000 0.00000 1.00000
P2 P 0.83710 0.16506 0.67419 1.00000
P3 P 0.16290 0.83494 0.32581 1.00000
Br1 Br 0.50000 0.00000 0.00000 1.00000
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