Pm2TaOs3
Alexandria ALEXAlex-ID: agm034863379 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1701_spg63
Pm(TaOs)2 Pm5Os2 PmOs2
2025-01-19 02:12:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034863379).
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 agm034863379
data_agm034863379
_cell_length_a 5.67936
_cell_length_b 5.67936
_cell_length_c 8.40923
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 234.90122
_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
Pm1 Pm 0.66667 0.33333 0.43328 1.00000
Pm2 Pm 0.33333 0.66667 0.56672 1.00000
Pm3 Pm 0.33333 0.66667 0.93328 1.00000
Pm4 Pm 0.66667 0.33333 0.06672 1.00000
Ta1 Ta 0.00000 0.00000 0.50000 1.00000
Ta2 Ta 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.17295 0.34590 0.25000 1.00000
Os2 Os 0.34590 0.17295 0.75000 1.00000
Os3 Os 0.82705 0.65410 0.75000 1.00000
Os4 Os 0.17295 0.82705 0.25000 1.00000
Os5 Os 0.82705 0.17295 0.75000 1.00000
Os6 Os 0.65410 0.82705 0.25000 1.00000
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