PmBe4SiPt2
Alexandria ALEXAlex-ID: agm004789487 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
PmSiPt Be2Pt Be5Pt
2022-07-17 22:44:47.229677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004789487).
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 agm004789487
data_agm004789487
_cell_length_a 3.94661
_cell_length_b 3.94661
_cell_length_c 8.66295
_cell_angle_alpha 76.83321
_cell_angle_beta 76.83321
_cell_angle_gamma 60.00000
_cell_volume 112.73950
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.41105 0.41105 0.76684 1.00000
Be2 Be 0.87489 0.87489 0.37532 1.00000
Be3 Be 0.12511 0.12511 0.62468 1.00000
Be4 Be 0.58895 0.58895 0.23316 1.00000
Si1 Si 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.76449 0.76449 0.70654 1.00000
Pt2 Pt 0.23551 0.23551 0.29346 1.00000
Get direct link