Pm3Te3O
Alexandria ALEXAlex-ID: agm005980892 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_77_spg62
Pm2Te3 Pm2TeO2 Pm5Te6
2023-08-07 20:46:50.588251
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005980892).
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 agm005980892
data_agm005980892
_cell_length_a 4.19179
_cell_length_b 13.79726
_cell_length_c 13.87695
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 802.57683
_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 0.75000 0.96208 0.83971 1.00000
Pm2 Pm 0.25000 0.53792 0.33971 1.00000
Pm3 Pm 0.25000 0.03792 0.16029 1.00000
Pm4 Pm 0.75000 0.46208 0.66029 1.00000
Pm5 Pm 0.75000 0.94274 0.37008 1.00000
Pm6 Pm 0.25000 0.55726 0.87008 1.00000
Pm7 Pm 0.25000 0.05726 0.62992 1.00000
Pm8 Pm 0.75000 0.44274 0.12992 1.00000
Pm9 Pm 0.75000 0.79361 0.14672 1.00000
Pm10 Pm 0.25000 0.70639 0.64672 1.00000
Pm11 Pm 0.25000 0.20639 0.85328 1.00000
Pm12 Pm 0.75000 0.29361 0.35328 1.00000
Te1 Te 0.75000 0.72103 0.82033 1.00000
Te2 Te 0.25000 0.77897 0.32033 1.00000
Te3 Te 0.25000 0.27897 0.17967 1.00000
Te4 Te 0.75000 0.22103 0.67967 1.00000
Te5 Te 0.75000 0.12359 0.00067 1.00000
Te6 Te 0.25000 0.37641 0.50067 1.00000
Te7 Te 0.25000 0.87641 0.99933 1.00000
Te8 Te 0.75000 0.62359 0.49933 1.00000
Te9 Te 0.75000 0.89036 0.60581 1.00000
Te10 Te 0.25000 0.60964 0.10581 1.00000
Te11 Te 0.25000 0.10964 0.39419 1.00000
Te12 Te 0.75000 0.39036 0.89419 1.00000
O1 O 0.75000 0.96012 0.20503 1.00000
O2 O 0.25000 0.53988 0.70503 1.00000
O3 O 0.25000 0.03988 0.79497 1.00000
O4 O 0.75000 0.46012 0.29497 1.00000
