Cr(In2Au)4
Alexandria ALEXAlex-ID: agm098155342 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_640_spg1
In2Au Cr
2025-06-13 09:53:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098155342).
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 agm098155342
data_agm098155342
_cell_length_a 4.79695
_cell_length_b 7.55334
_cell_length_c 8.96278
_cell_angle_alpha 110.44488
_cell_angle_beta 93.70142
_cell_angle_gamma 94.80682
_cell_volume 301.68690
_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 0.29109 0.08660 0.08028 1.00000
In1 In 0.46438 0.22777 0.41785 1.00000
In2 In 0.26838 0.08252 0.75777 1.00000
In3 In 0.19446 0.71413 0.32579 1.00000
In4 In 0.23358 0.69437 0.83696 1.00000
In5 In 0.82519 0.33147 0.15722 1.00000
In6 In 0.78326 0.37214 0.78778 1.00000
In7 In 0.69654 0.83223 0.16106 1.00000
In8 In 0.66008 0.73999 0.56601 1.00000
Au1 Au 0.77039 0.95080 0.89853 1.00000
Au2 Au 0.94292 0.05431 0.48351 1.00000
Au3 Au 0.34059 0.44978 0.02163 1.00000
Au4 Au 0.02915 0.46390 0.50561 1.00000
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