B4PtC12
Alexandria ALEXAlex-ID: agm071336730 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_286_spg141
BPt2 C B4C
2024-08-05 11:28:40.356699
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336730).
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 agm071336730
data_agm071336730
_cell_length_a 10.14043
_cell_length_b 10.14043
_cell_length_c 10.14043
_cell_angle_alpha 150.58483
_cell_angle_beta 150.58483
_cell_angle_gamma 42.08360
_cell_volume 250.92106
_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
B1 B 0.87500 0.42369 0.04869 1.00000
B2 B 0.87500 0.82631 0.45131 1.00000
B3 B 0.37500 0.82631 0.95131 1.00000
B4 B 0.37500 0.42369 0.54869 1.00000
B5 B 0.57631 0.12500 0.95131 1.00000
B6 B 0.17369 0.12500 0.54869 1.00000
B7 B 0.17369 0.62500 0.04869 1.00000
B8 B 0.57631 0.62500 0.45131 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.75000 0.25000 0.50000 1.00000
C1 C 0.50494 0.29199 0.78706 1.00000
C2 C 0.24506 0.95801 0.71294 1.00000
C3 C 0.50494 0.71788 0.21294 1.00000
C4 C 0.24506 0.53212 0.28706 1.00000
C5 C 0.46788 0.75494 0.71294 1.00000
C6 C 0.28212 0.49506 0.78706 1.00000
C7 C 0.04199 0.75494 0.28706 1.00000
C8 C 0.70801 0.49506 0.21294 1.00000
C9 C 0.44063 0.07403 0.63340 1.00000
C10 C 0.30937 0.17597 0.86660 1.00000
C11 C 0.44063 0.80722 0.36660 1.00000
C12 C 0.30937 0.44278 0.13340 1.00000
C13 C 0.55722 0.69063 0.86660 1.00000
C14 C 0.19278 0.55937 0.63340 1.00000
C15 C 0.82403 0.69063 0.13340 1.00000
C16 C 0.92597 0.55937 0.36660 1.00000
C17 C 0.58104 0.23926 0.65822 1.00000
C18 C 0.16896 0.01074 0.84178 1.00000
C19 C 0.58104 0.92282 0.34178 1.00000
C20 C 0.16896 0.32718 0.15822 1.00000
C21 C 0.67282 0.83104 0.84178 1.00000
C22 C 0.07718 0.41896 0.65822 1.00000
C23 C 0.98926 0.83104 0.15822 1.00000
C24 C 0.76074 0.41896 0.34178 1.00000
