Th4OsPt2Se
Alexandria ALEXAlex-ID: agm004854497 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
Th4OsPt3 Th2OsPt Th8OsPt3Se4
2022-07-20 19:21:20.921061
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004854497).
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 agm004854497
data_agm004854497
_cell_length_a 4.16621
_cell_length_b 7.24654
_cell_length_c 7.37469
_cell_angle_alpha 71.72306
_cell_angle_beta 89.99972
_cell_angle_gamma 89.99969
_cell_volume 211.41419
_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
Th1 Th 0.00000 0.74551 0.76677 1.00000
Th2 Th 1.00000 0.25449 0.23323 1.00000
Th3 Th 0.50000 0.74951 0.23107 1.00000
Th4 Th 0.50000 0.25050 0.76893 1.00000
Os1 Os 0.50000 0.50000 1.00000 1.00000
Pt1 Pt 0.00000 0.00000 1.00000 1.00000
Pt2 Pt 0.50000 0.00000 0.50000 1.00000
Se1 Se 0.00000 0.49999 0.50000 1.00000
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