Ta3(P3Pt10)2
Alexandria ALEXAlex-ID: agm008366232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B6C20_13_spg12
TaPt5 P2Pt5 P2Pt
2024-07-13 03:50:51.271511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008366232).
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 agm008366232
data_agm008366232
_cell_length_a 8.46540
_cell_length_b 8.46540
_cell_length_c 8.17772
_cell_angle_alpha 68.39483
_cell_angle_beta 68.39483
_cell_angle_gamma 72.57743
_cell_volume 497.40353
_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
Ta1 Ta 0.76132 0.23868 0.00000 1.00000
Ta2 Ta 0.23868 0.76132 0.00000 1.00000
Ta3 Ta 0.00000 0.00000 0.50000 1.00000
P1 P 0.75358 0.24642 0.50000 1.00000
P2 P 0.24642 0.75358 0.50000 1.00000
P3 P 0.23279 0.23279 0.98179 1.00000
P4 P 0.31564 0.31564 0.27580 1.00000
P5 P 0.68436 0.68436 0.72420 1.00000
P6 P 0.76721 0.76721 0.01821 1.00000
Pt1 Pt 0.37436 0.04415 0.79846 1.00000
Pt2 Pt 0.70448 0.42299 0.67693 1.00000
Pt3 Pt 0.04592 0.04592 0.80442 1.00000
Pt4 Pt 0.32604 0.04078 0.47604 1.00000
Pt5 Pt 0.04078 0.32604 0.47604 1.00000
Pt6 Pt 0.95585 0.62564 0.20154 1.00000
Pt7 Pt 0.40609 0.40609 0.96378 1.00000
Pt8 Pt 0.05096 0.70549 0.81501 1.00000
Pt9 Pt 0.70549 0.05096 0.81501 1.00000
Pt10 Pt 0.95922 0.67396 0.52396 1.00000
Pt11 Pt 0.94904 0.29451 0.18499 1.00000
Pt12 Pt 0.29451 0.94904 0.18499 1.00000
Pt13 Pt 0.67396 0.95922 0.52396 1.00000
Pt14 Pt 0.95408 0.95408 0.19558 1.00000
Pt15 Pt 0.42299 0.70448 0.67693 1.00000
Pt16 Pt 0.62564 0.95585 0.20154 1.00000
Pt17 Pt 0.57701 0.29552 0.32307 1.00000
Pt18 Pt 0.04415 0.37436 0.79846 1.00000
Pt19 Pt 0.29552 0.57701 0.32307 1.00000
Pt20 Pt 0.59391 0.59391 0.03622 1.00000
