Cr3(HAu)2
Alexandria ALEXAlex-ID: agm006273684 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
CrH Cr Au
2024-07-02 05:19:20.698543
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006273684).
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
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# CIF generated by HEAS from Alexandria entry agm006273684
data_agm006273684
_cell_length_a 2.80300
_cell_length_b 4.95599
_cell_length_c 7.25063
_cell_angle_alpha 59.42813
_cell_angle_beta 67.30808
_cell_angle_gamma 73.59084
_cell_volume 79.53553
_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
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.27925 0.79566 0.07313 1.00000
Cr3 Cr 0.72075 0.20434 0.92687 1.00000
H1 H 0.37946 0.32764 0.70696 1.00000
H2 H 0.62054 0.67236 0.29304 1.00000
Au1 Au 0.87624 0.18636 0.28111 1.00000
Au2 Au 0.12376 0.81364 0.71889 1.00000
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