Th4OsPb2
Alexandria ALEXAlex-ID: agm003444548 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_921_spg11
Th5Os3 Th5OsPb3 Th7Os3
2022-02-18 17:24:22.891601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003444548).
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 agm003444548
data_agm003444548
_cell_length_a 6.31551
_cell_length_b 6.67999
_cell_length_c 11.11861
_cell_angle_alpha 90.00000
_cell_angle_beta 116.11470
_cell_angle_gamma 90.00000
_cell_volume 421.18242
_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 0.52097 0.48953 0.26729 1.00000
Th2 Th 0.06410 0.75000 0.90687 1.00000
Th3 Th 0.93590 0.25000 0.09313 1.00000
Th4 Th 0.52097 0.01047 0.26729 1.00000
Th5 Th 0.89591 0.25000 0.59986 1.00000
Th6 Th 0.47903 0.98953 0.73271 1.00000
Th7 Th 0.47903 0.51047 0.73271 1.00000
Th8 Th 0.10409 0.75000 0.40014 1.00000
Os1 Os 0.13766 0.75000 0.16924 1.00000
Os2 Os 0.86234 0.25000 0.83076 1.00000
Pb1 Pb 0.64208 0.75000 0.03318 1.00000
Pb2 Pb 0.35792 0.25000 0.96682 1.00000
Pb3 Pb 0.23752 0.25000 0.43331 1.00000
Pb4 Pb 0.76248 0.75000 0.56669 1.00000
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