Ca2Ga16Pt9
Alexandria ALEXAlex-ID: agm008292580 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9C16_1_spg71
CaGa5Pt3 Ga2Pt
2024-11-05 10:28:45.617384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008292580).
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 agm008292580
data_agm008292580
_cell_length_a 11.42706
_cell_length_b 11.42706
_cell_length_c 11.42706
_cell_angle_alpha 159.64821
_cell_angle_beta 112.45945
_cell_angle_gamma 71.36100
_cell_volume 476.10621
_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 0.22628 0.72628 0.50000 1.00000
Ca2 Ca 0.77372 0.27372 0.50000 1.00000
Ga1 Ga 0.50805 0.88749 0.62056 1.00000
Ga2 Ga 0.75610 0.42457 0.33153 1.00000
Ga3 Ga 0.89339 0.70726 0.18613 1.00000
Ga4 Ga 0.90696 0.57543 0.33153 1.00000
Ga5 Ga 0.90807 0.90807 0.00000 1.00000
Ga6 Ga 0.49195 0.11251 0.37944 1.00000
Ga7 Ga 0.52113 0.70726 0.81387 1.00000
Ga8 Ga 0.10661 0.29274 0.81387 1.00000
Ga9 Ga 0.60289 0.50000 0.10289 1.00000
Ga10 Ga 0.39711 0.50000 0.89711 1.00000
Ga11 Ga 0.73307 0.11251 0.62056 1.00000
Ga12 Ga 0.47887 0.29274 0.18613 1.00000
Ga13 Ga 0.24390 0.57543 0.66847 1.00000
Ga14 Ga 0.09304 0.42457 0.66847 1.00000
Ga15 Ga 0.26693 0.88749 0.37944 1.00000
Ga16 Ga 0.09193 0.09193 0.00000 1.00000
Pt1 Pt 0.26776 0.00000 0.26776 1.00000
Pt2 Pt 0.65580 0.84219 0.81362 1.00000
Pt3 Pt 0.63197 0.63197 0.00000 1.00000
Pt4 Pt 0.73224 0.00000 0.73224 1.00000
Pt5 Pt 0.36803 0.36803 0.00000 1.00000
Pt6 Pt 0.00000 0.50000 0.50000 1.00000
Pt7 Pt 0.02857 0.84219 0.18638 1.00000
Pt8 Pt 0.97143 0.15781 0.81362 1.00000
Pt9 Pt 0.34420 0.15781 0.18638 1.00000
