Ca2Al16Pt9
Alexandria ALEXAlex-ID: agm008292407 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9C16_1_spg71
CaAl5Pt3 Ca4(Al8Pt3)3 Al3Pt2
2024-10-02 14:35:31.825727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008292407).
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 agm008292407
data_agm008292407
_cell_length_a 11.19336
_cell_length_b 11.19336
_cell_length_c 11.19336
_cell_angle_alpha 158.54231
_cell_angle_beta 115.55759
_cell_angle_gamma 68.77041
_cell_volume 459.51849
_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 0.22903 0.72903 0.50000 1.00000
Ca2 Ca 0.77097 0.27097 0.50000 1.00000
Al1 Al 0.51071 0.89211 0.61860 1.00000
Al2 Al 0.74894 0.41967 0.32927 1.00000
Al3 Al 0.89666 0.70489 0.19177 1.00000
Al4 Al 0.90960 0.58033 0.32927 1.00000
Al5 Al 0.91287 0.91287 0.00000 1.00000
Al6 Al 0.48929 0.10789 0.38140 1.00000
Al7 Al 0.51311 0.70489 0.80823 1.00000
Al8 Al 0.10334 0.29511 0.80823 1.00000
Al9 Al 0.61516 0.50000 0.11516 1.00000
Al10 Al 0.38484 0.50000 0.88484 1.00000
Al11 Al 0.72649 0.10789 0.61860 1.00000
Al12 Al 0.48689 0.29511 0.19177 1.00000
Al13 Al 0.25106 0.58033 0.67073 1.00000
Al14 Al 0.09040 0.41967 0.67073 1.00000
Al15 Al 0.27351 0.89211 0.38140 1.00000
Al16 Al 0.08713 0.08713 0.00000 1.00000
Pt1 Pt 0.25001 0.00000 0.25001 1.00000
Pt2 Pt 0.65427 0.84012 0.81415 1.00000
Pt3 Pt 0.62374 0.62374 0.00000 1.00000
Pt4 Pt 0.74999 0.00000 0.74999 1.00000
Pt5 Pt 0.37626 0.37626 0.00000 1.00000
Pt6 Pt 0.00000 0.50000 0.50000 1.00000
Pt7 Pt 0.02597 0.84012 0.18585 1.00000
Pt8 Pt 0.97403 0.15988 0.81415 1.00000
Pt9 Pt 0.34573 0.15988 0.18585 1.00000
