Th2P2HOs2
Alexandria ALEXAlex-ID: agm007011073 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_442_spg12
ThPH ThP Os
2024-03-06 03:19:30.352126
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007011073).
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 agm007011073
data_agm007011073
_cell_length_a 5.90115
_cell_length_b 5.90115
_cell_length_c 6.89757
_cell_angle_alpha 53.63529
_cell_angle_beta 53.63529
_cell_angle_gamma 41.08953
_cell_volume 122.18782
_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 0.55561 0.55561 0.20115 1.00000
Th2 Th 0.44439 0.44439 0.79885 1.00000
P1 P 0.18629 0.18629 0.77759 1.00000
P2 P 0.81371 0.81371 0.22241 1.00000
H1 H 0.00000 0.00000 0.50000 1.00000
Os1 Os 0.20525 0.20525 0.40853 1.00000
Os2 Os 0.79475 0.79475 0.59147 1.00000
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