TaTi4Pt7
Alexandria ALEXAlex-ID: agm003664587 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_87_spg12
TiPt Ti3Pt5 TaPt
2022-04-20 15:28:39.150760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003664587).
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 agm003664587
data_agm003664587
_cell_length_a 4.80222
_cell_length_b 8.46739
_cell_length_c 5.85856
_cell_angle_alpha 79.53570
_cell_angle_beta 65.80477
_cell_angle_gamma 73.52651
_cell_volume 207.79249
_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 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.58841 0.22770 0.59549 1.00000
Ti2 Ti 0.41159 0.77230 0.40451 1.00000
Ti3 Ti 0.74504 0.66564 0.84428 1.00000
Ti4 Ti 0.25496 0.33436 0.15572 1.00000
Pt1 Pt 0.78538 0.90851 0.52072 1.00000
Pt2 Pt 0.21462 0.09149 0.47928 1.00000
Pt3 Pt 0.06960 0.67492 0.18588 1.00000
Pt4 Pt 0.93040 0.32508 0.81412 1.00000
Pt5 Pt 0.36143 0.53678 0.74036 1.00000
Pt6 Pt 0.50000 0.00000 0.00000 1.00000
Pt7 Pt 0.63857 0.46322 0.25964 1.00000
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