CaAl4
Alexandria ALEXAlex-ID: agm002134151 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_10_spg139
CaAl2 Al
2018-05-22 02:54:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002134151).
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 agm002134151
data_agm002134151
_cell_length_a 4.34465
_cell_length_b 4.34466
_cell_length_c 6.41175
_cell_angle_alpha 70.13068
_cell_angle_beta 70.13069
_cell_angle_gamma 89.93250
_cell_volume 106.14961
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.38476 0.38476 0.22779 1.00000
Al2 Al 0.61524 0.61524 0.77221 1.00000
Al3 Al 0.25171 0.74829 0.50000 1.00000
Al4 Al 0.74829 0.25171 0.50000 1.00000
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