Ac4HoAs5
Alexandria ALEXAlex-ID: agm006103604 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
HoAs AcAs
2023-10-10 17:02:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006103604).
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 agm006103604
data_agm006103604
_cell_length_a 6.34161
_cell_length_b 7.73745
_cell_length_c 7.73745
_cell_angle_alpha 80.33217
_cell_angle_beta 65.80774
_cell_angle_gamma 65.80773
_cell_volume 315.90203
_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 0.40377 0.39609 0.79863 1.00000
Ac2 Ac 0.79986 0.79863 0.60391 1.00000
Ac3 Ac 0.20240 0.20137 0.39609 1.00000
Ac4 Ac 0.59849 0.60391 0.20137 1.00000
Ho1 Ho 0.00119 0.00000 0.00000 1.00000
As1 As 0.90575 0.38218 0.80839 1.00000
As2 As 0.28793 0.80839 0.61782 1.00000
As3 As 0.71414 0.19161 0.38218 1.00000
As4 As 0.09632 0.61782 0.19161 1.00000
As5 As 0.50043 1.00000 1.00000 1.00000
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